| 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 | S | 47.4 | Very low | 44.9 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 100% | 1.154 | 80% | 0.801 | S | S | * | * | 0 | 146.5 | 0 | -50.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 2 | R | 37.8 | Very low | 44.5 | Very low | 250 Ų | 250 | 138.3 Ų | 138.3 | 94% | 0.943 | 81% | 0.808 | S | S | * | * | trans | 69.6 | 104 | -159.4 | -55.5 | -178.4 | -78.8 | -135.8 | 2.5 | 110.7 | ||||
| 3 | G | 39.5 | Very low | 44.4 | Very low | 69 Ų | 69 | 144.5 Ų | 144.5 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | cis | 94.2 | 91.6 | 14.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | W | 36 | Very low | 44 | Very low | 241 Ų | 241 | 139 Ų | 139 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | trans | -80.2 | 141 | 178.5 | -69.1 | 76.5 | 0 | 0 | 0 | 109.7 | T6 | W4-T6 PolarHBondContact O-N 3.25Š| ||
| 5 | P | 43.3 | Very low | 43.6 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -69.4 | 116.8 | 175.9 | 28.3 | -32.7 | 0 | 0 | 0 | 110.2 | D7 | P5-D7 VanDerWaalsContact C-N 3.33Å; P5-D7 PolarHBondContact O-N 3.16Å; P5-D7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | T | 56.8 | Low | 43.4 | Very low | 143 Ų | 143 | 137.6 Ų | 137.6 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -83 | 78.4 | 169.3 | 50.7 | 0 | 0 | 0 | 0 | 110 | W4 | W4-T6 PolarHBondContact O-N 3.25Š| ||
| 7 | D | 51.3 | Low | 43 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -147.6 | 101.3 | 152.6 | -160.5 | -84.3 | 0 | 0 | 0 | 109.6 | P5 | P5-D7 VanDerWaalsContact C-N 3.33Å; P5-D7 PolarHBondContact O-N 3.16Å; P5-D7 VanDerWaalsContact O-N 3.16Å | ||
| 8 | T | 52.1 | Low | 43.8 | Very low | 132 Ų | 132 | 133 Ų | 133 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -132.2 | 97.5 | 162.1 | -58.4 | 0 | 0 | 0 | 0 | 105.6 | V10 | T8-V10 PolarHBondContact O-N 3.07Å; T8-V10 VanDerWaalsContact O-N 3.07Å | ||
| 9 | A | 45.3 | Very low | 43.4 | Very low | 81 Ų | 81 | 130.9 Ų | 130.9 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 116.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | P11 | A9-P11 WeakPolarHBondContact O-CD 3.46Š|
| 10 | V | 44.8 | Very low | 43.1 | Very low | 118 Ų | 118 | 132 Ų | 132 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 126 | 178.5 | -160.6 | 0 | 0 | 0 | 0 | 107.9 | T8 S12 A14 | T8-V10 PolarHBondContact O-N 3.07Å; T8-V10 VanDerWaalsContact O-N 3.07Å; V10-S12 PolarHBondContact O-N 3.31Å; V10-A14 HydrophobicContact CG1-CB 3.9Å |
| 11 | P | 39.2 | Very low | 42.8 | Very low | 78 Ų | 78 | 136.2 Ų | 136.2 | 51% | 0.506 | 79% | 0.787 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 131 | 178.9 | -26.9 | 35.8 | 0 | 0 | 0 | 111.6 | A9 W13 A14 | A9-P11 WeakPolarHBondContact O-CD 3.46Å; P11-W13 VanDerWaalsContact CB-CD1 3.48Å; P11-W13 PolarHBondContact O-N 3.12Å; P11-A14 VanDerWaalsContact O-CB 3.31Å; P11-A14 WeakPolarHBondContact O-CB 3.31Å; P11-A14 PolarHBondContact O-N 3.45Å |
| 12 | S | 40.5 | Very low | 42.3 | Very low | 126 Ų | 126 | 133 Ų | 133 | 88% | 0.881 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -11.2 | -174.3 | -170.9 | 0 | 0 | 0 | 0 | 115.5 | V10 A14 | V10-S12 PolarHBondContact O-N 3.31Å; S12-A14 VanDerWaalsContact C-N 3.3Å; S12-A14 PolarHBondContact O-N 2.89Å |
| 13 | W | 42.9 | Very low | 42.7 | Very low | 218 Ų | 218 | 125.3 Ų | 125.3 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -8.8 | 173.3 | 74.4 | -92.6 | 0 | 0 | 0 | 113.9 | P11 A15 | P11-W13 VanDerWaalsContact CB-CD1 3.48Å; P11-W13 PolarHBondContact O-N 3.12Å; W13-A15 PolarHBondContact O-N 2.81Å |
| 14 | A | 38.7 | Very low | 42.4 | Very low | 68 Ų | 68 | 126.8 Ų | 126.8 | 56% | 0.562 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -73.2 | 13.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | V10 P11 S12 | V10-A14 HydrophobicContact CG1-CB 3.9Å; P11-A14 VanDerWaalsContact O-CB 3.31Å; P11-A14 WeakPolarHBondContact O-CB 3.31Å; P11-A14 PolarHBondContact O-N 3.45Å; S12-A14 VanDerWaalsContact C-N 3.3Å; S12-A14 PolarHBondContact O-N 2.89Å |
| 15 | A | 38.7 | Very low | 42.6 | Very low | 85 Ų | 85 | 122.4 Ų | 122.4 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | trans | -130.3 | 64.6 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | W13 | W13-A15 PolarHBondContact O-N 2.81Š| ||
| 16 | I | 39.7 | Very low | 42.1 | Very low | 171 Ų | 171 | 125.1 Ų | 125.1 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -120.7 | 67.3 | 154.8 | -50.7 | -177.1 | 0 | 0 | 0 | 107.9 | ||||
| 17 | G | 36.8 | Very low | 41 | Very low | 60 Ų | 60 | 121.7 Ų | 121.7 | 62% | 0.619 | 77% | 0.767 | S | S | * | * | trans | -77.3 | 165.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 18 | P | 58.2 | Low | 40.3 | Very low | 132 Ų | 132 | 120.1 Ų | 120.1 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -88.9 | 176.1 | -155.7 | 35.3 | -38.6 | 0 | 0 | 0 | 115.8 | ||||
| 19 | A | 34.7 | Very low | 39.5 | Very low | 94 Ų | 94 | 118.6 Ų | 118.6 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | 86.1 | 156.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 20 | I | 38.3 | Very low | 38.9 | Very low | 152 Ų | 152 | 126.3 Ų | 126.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | cis | -135.9 | 131.3 | 18.3 | -72.2 | 177.7 | 0 | 0 | 0 | 111.4 | ||||
| 21 | R | 37.2 | Very low | 38.8 | Very low | 221 Ų | 221 | 127 Ų | 127 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | 22.9 | 144.9 | 126.1 | -135.8 | -179.7 | -158 | -101.2 | 2.7 | 120.7 | |||||
| 22 | S | 36.8 | Very low | 38.9 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | trans | 64.3 | 116.4 | 157.2 | -65 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 23 | G | 46.7 | Very low | 38.5 | Very low | 87 Ų | 87 | 134.1 Ų | 134.1 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -66.9 | 136.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 24 | A | 32.3 | Very low | 38.1 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -134 | 115.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 25 | V | 40.3 | Very low | 37.9 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -87.1 | 128.1 | 176.1 | 88.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 26 | L | 32.1 | Very low | 37.5 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -110.3 | 88.2 | 176.7 | -168.6 | 70.7 | 0 | 0 | 0 | 109.4 | ||||
| 27 | G | 35.2 | Very low | 37.1 | Very low | 70 Ų | 70 | 131.6 Ų | 131.6 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 116.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 28 | A | 36 | Very low | 37 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 138.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 29 | A | 34.7 | Very low | 35.9 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 134 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 30 | R | 34 | Very low | 35.7 | Very low | 243 Ų | 243 | 138.6 Ų | 138.6 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | trans | -141.3 | 123.2 | 158.2 | -70.9 | -175.3 | 67.9 | -152.5 | 0.8 | 110.2 | ||||
| 31 | T | 42.8 | Very low | 35.4 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | -79.1 | 159.7 | 173.4 | 43.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 32 | P | 39.6 | Very low | 35.4 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | -144.7 | 178.4 | 110.9 | 34.4 | -17.5 | 0 | 0 | 0 | 115.7 | |||||
| 33 | R | 32.3 | Very low | 35.5 | Very low | 231 Ų | 231 | 133.5 Ų | 133.5 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | trans | -136.8 | 173.3 | 168.1 | -50.4 | -179.3 | 173.8 | -148.6 | 2.9 | 107.9 | ||||
| 34 | L | 35.4 | Very low | 35.3 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 83% | 0.827 | 83% | 0.831 | S | S | * | * | cis | -152.4 | 157.2 | 5.2 | -172.7 | 59.5 | 0 | 0 | 0 | 109.5 | ||||
| 35 | G | 33.3 | Very low | 35.3 | Very low | 59 Ų | 59 | 142.4 Ų | 142.4 | 61% | 0.608 | 83% | 0.829 | S | S | * | * | trans | 92.1 | 157.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 36 | E | 30.5 | Very low | 35 | Very low | 201 Ų | 201 | 140.7 Ų | 140.7 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | cis | -165.7 | 157.9 | -11.8 | -127.2 | 176.3 | 116.2 | 0 | 0 | 109.3 | ||||
| 37 | G | 32 | Very low | 35.4 | Very low | 71 Ų | 71 | 138.2 Ų | 138.2 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | 85.9 | 125.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 38 | A | 33.8 | Very low | 35.3 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | 71.5 | 126.6 | 51.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 39 | V | 35.1 | Very low | 35.8 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | cis | -161.2 | 176.2 | 1.1 | -101.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 40 | E | 30.6 | Very low | 35.8 | Very low | 199 Ų | 199 | 146.5 Ų | 146.5 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | trans | 104.5 | 142 | 152.1 | -152.3 | 179.1 | 117.9 | 0 | 0 | 119.1 | ||||
| 41 | G | 32.9 | Very low | 35.9 | Very low | 67 Ų | 67 | 140.2 Ų | 140.2 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | 97.5 | 58.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 42 | S | 37.6 | Very low | 35.4 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | 53.1 | 98.7 | 93.3 | -167.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 43 | M | 38.7 | Very low | 35.3 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | -176.4 | 147.2 | 121 | -96.6 | 170 | 177.8 | 0 | 0 | 112.7 | |||||
| 44 | R | 41.4 | Very low | 35.4 | Very low | 243 Ų | 243 | 137.5 Ų | 137.5 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | -57.8 | 156.2 | -157.4 | -69.5 | -179 | -94.1 | -110.1 | 4.6 | 118.9 | ||||
| 45 | V | 32.3 | Very low | 35.9 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -68.9 | 147.5 | 177.6 | -67.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 46 | S | 35.8 | Very low | 36.2 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | 175.1 | 114.1 | 124.5 | -76.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 47 | P | 40.5 | Very low | 36.6 | Very low | 122 Ų | 122 | 137 Ų | 137 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 123.7 | 165.8 | 33 | -27.7 | 0 | 0 | 0 | 110.8 | ||
| 48 | S | 32.7 | Very low | 37.1 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 130.6 | 169.3 | -166.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 49 | I | 45.4 | Very low | 37.7 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 124.2 | -178.1 | -65.1 | -71.7 | 0 | 0 | 0 | 110.3 | ||
| 50 | Q | 35 | Very low | 38.3 | Very low | 178 Ų | 178 | 141.9 Ų | 141.9 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -154.1 | 112.6 | 155.6 | -121.1 | 179.3 | 10.2 | 0 | 0 | 111.4 | ||||
| 51 | P | 35.8 | Very low | 39 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | trans | -91.8 | 118.3 | 168.2 | 32.4 | -28 | 0 | 0 | 0 | 110.6 | ||||
| 52 | Q | 32.4 | Very low | 39.7 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 72% | 0.724 | 81% | 0.805 | S | S | * | * | trans | -110.8 | 117.5 | 163.2 | -78.1 | -164.9 | -73 | 0 | 0 | 110.3 | Q54 | Q52-Q54 PolarHBondContact O-N 2.85Š| ||
| 53 | P | 38.6 | Very low | 40.4 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -82.3 | 90.8 | 166.5 | 32.3 | -29.8 | 0 | 0 | 0 | 109 | S55 | P53-S55 PolarHBondContact O-N 3.02Š| ||
| 54 | Q | 32.9 | Very low | 40.8 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | trans | -83.4 | 98.3 | 167.3 | -81 | -164.4 | -32.5 | 0 | 0 | 110.3 | Q52 Q56 | Q52-Q54 PolarHBondContact O-N 2.85Å; Q54-Q56 PolarHBondContact O-N 3.49Å; Q54-Q56 VanDerWaalsContact O-N 3.15Å | ||
| 55 | S | 47.3 | Very low | 41.1 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -52.2 | 113.4 | 163.5 | -46.7 | 0 | 0 | 0 | 0 | 109.9 | P53 | P53-S55 PolarHBondContact O-N 3.02Š| ||
| 56 | Q | 38 | Very low | 42.1 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | -112.3 | 136.6 | 160.3 | -71.5 | -156.1 | -20.2 | 0 | 0 | 109.3 | Q54 | Q54-Q56 PolarHBondContact O-N 3.49Å; Q54-Q56 VanDerWaalsContact O-N 3.15Å | ||
| 57 | P | 40.4 | Very low | 42.7 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | -65.1 | 147.1 | -171.7 | 26.6 | -34.3 | 0 | 0 | 0 | 111 | S59 | P57-S59 PolarHBondContact O-N 3.03Š| ||
| 58 | T | 41.5 | Very low | 42.9 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -57.8 | 102.7 | 169.2 | 47 | 0 | 0 | 0 | 0 | 109.8 | L60 | T58-L60 PolarHBondContact O-N 3.14Š| ||
| 59 | S | 47.1 | Very low | 43.4 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | trans | -58.5 | 107.6 | 164 | -71.5 | 0 | 0 | 0 | 0 | 108.2 | P57 S61 | P57-S59 PolarHBondContact O-N 3.03Å; S59-S61 PolarHBondContact O-N 3.5Å | ||
| 60 | L | 46.5 | Very low | 43.1 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -59.9 | 129.3 | -177.6 | -74.1 | 163.7 | 0 | 0 | 0 | 109.9 | T58 | T58-L60 PolarHBondContact O-N 3.14Š| ||
| 61 | S | 46.8 | Very low | 43.6 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 28.5 | 92.5 | 160 | -164.9 | 0 | 0 | 0 | 0 | 115.9 | S59 N63 | S59-S61 PolarHBondContact O-N 3.5Å; S61-N63 PolarHBondContact O-N 2.94Å | ||
| 62 | R | 47.3 | Very low | 44 | Very low | 219 Ų | 219 | 136.9 Ų | 136.9 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | -46.8 | 117.3 | 162 | -177.1 | -176.6 | -64.5 | -118.3 | -1.5 | 108.9 | T64 | R62-T64 PolarHBondContact O-N 2.85Š| ||
| 63 | N | 51.7 | Low | 45 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 61% | 0.61 | 75% | 0.753 | S | S | * | * | trans | -44.5 | 131.6 | 166.8 | 45.1 | -6.6 | 0 | 0 | 0 | 110.2 | S61 S65 | S61-N63 PolarHBondContact O-N 2.94Å; N63-S65 VanDerWaalsContact C-N 3.27Å; N63-S65 PolarHBondContact O-N 3.04Å | ||
| 64 | T | 47.9 | Very low | 45.9 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | trans | -76.1 | 82.8 | -178.6 | 54 | 0 | 0 | 0 | 0 | 109.6 | R62 V66 | R62-T64 PolarHBondContact O-N 2.85Å; T64-V66 PolarHBondContact O-N 3.29Å | ||
| 65 | S | 47.6 | Very low | 47.7 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 53% | 0.531 | 73% | 0.728 | S | S | . | * | trans | -56 | 127.1 | 165.7 | 66.1 | 0 | 0 | 0 | 0 | 108.1 | N63 S67 | N63-S65 VanDerWaalsContact C-N 3.27Å; N63-S65 PolarHBondContact O-N 3.04Å; S65-S67 WeakPolarHBondContact CB-OG 3.4Å; S65-S67 PolarHBondContact O-N 3.02Å; S65-S67 PolarHBondContact OG-OG 2.88Å | ||
| 66 | V | 52.5 | Low | 49.6 | Very low | 102 Ų | 102 | 127 Ų | 127 | 62% | 0.618 | 70% | 0.697 | S | S | * | * | trans | -80.4 | 57.8 | 178 | -169.5 | 0 | 0 | 0 | 0 | 108.5 | T64 R68 | T64-V66 PolarHBondContact O-N 3.29Å; V66-R68 PolarHBondContact O-N 3.23Å; V66-R68 VanDerWaalsContact O-N 3.1Å | ||
| 67 | S | 48.9 | Very low | 52 | Low | 97 Ų | 97 | 122.1 Ų | 122.1 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | trans | -82.3 | 88.3 | -174.7 | -55.1 | 0 | 0 | 0 | 0 | 110.3 | S65 | S65-S67 WeakPolarHBondContact CB-OG 3.4Å; S65-S67 PolarHBondContact O-N 3.02Å; S65-S67 PolarHBondContact OG-OG 2.88Å | ||
| 68 | R | 44.4 | Very low | 54.4 | Low | 235 Ų | 235 | 117.9 Ų | 117.9 | 89% | 0.887 | 65% | 0.647 | S | S | * | * | trans | -116.3 | 81.9 | 171.3 | -165.9 | 179.5 | 178.9 | 89.7 | 2.2 | 112.1 | V66 | V66-R68 PolarHBondContact O-N 3.23Å; V66-R68 VanDerWaalsContact O-N 3.1Å | ||
| 69 | A | 44.2 | Very low | 56.8 | Low | 82 Ų | 82 | 115 Ų | 115 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 41.8 | 128.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||
| 70 | M | 37.4 | Very low | 58.9 | Low | 174 Ų | 174 | 113.3 Ų | 113.3 | 86% | 0.857 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 90.1 | 130.2 | 178.6 | -48.2 | -48.9 | 175.4 | 0 | 0 | 114.3 | D72 | M70-D72 PolarHBondContact O-N 3.08Š|
| 71 | E | 45.5 | Very low | 61.1 | Low | 174 Ų | 174 | 110 Ų | 110 | 81% | 0.813 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -40.9 | 119.4 | -171.8 | -75.7 | 107.5 | 85.7 | 0 | 0 | 116 | ||
| 72 | D | 46 | Very low | 63.3 | Low | 137 Ų | 137 | 107.2 Ų | 107.2 | 73% | 0.733 | 57% | 0.57 | S | S | * | * | trans | 168.1 | 43.6 | 136.8 | -87.6 | -35.8 | 0 | 0 | 0 | 110.8 | M70 C74 | M70-D72 PolarHBondContact O-N 3.08Å; D72-C74 PolarHBondContact O-N 3.3Å | ||
| 73 | S | 52.7 | Low | 65.2 | Low | 110 Ų | 110 | 104.9 Ų | 104.9 | 77% | 0.769 | 57% | 0.568 | S | S | * | * | trans | -79.3 | 79.5 | -170.3 | 59 | 0 | 0 | 0 | 0 | 113.2 | E75 | S73-E75 PolarHBondContact O-N 2.74Š| ||
| 74 | C | 56.6 | Low | 67 | Low | 34 Ų | 34 | 110.5 Ų | 110.5 | 23% | 0.23 | 58% | 0.581 | C | S | . | * | trans | -71.9 | 104.9 | 159.4 | -118.2 | 0 | 0 | 0 | 0 | 108.9 | D72 L76 N98 N102 | D72-C74 PolarHBondContact O-N 3.3Å; C74-L76 PolarHBondContact O-N 3.23Å; C74-N98 HydrophobicContact CB-CB 3.72Å; C74-N98 WeakPolarHBondContact CB-ND2 3.46Å; C74-N98 PolarHBondContact SG-ND2 3.28Å; C74-N102 PolarHBondContact O-ND2 3.08Å | ||
| 75 | E | 72.1 | Confident | 69.2 | Low | 159 Ų | 159 | 110.1 Ų | 110.1 | 74% | 0.743 | 57% | 0.574 | S | S | * | * | trans | -62.5 | 105.3 | -174.7 | -60.7 | -171.2 | 142.9 | 0 | 0 | 111.9 | S73 P91 | S73-E75 PolarHBondContact O-N 2.74Å; E75-P91 WeakPolarHBondContact O-CD 3.46Å; E75-P91 WeakPolarHBondContact O-CG 3.33Å | ||
| 76 | L | 86.9 | Confident | 71.4 | Confident | 40 Ų | 40 | 108.4 Ų | 108.4 | 21% | 0.209 | 56% | 0.558 | C | S | . | * | trans | -84.8 | 133.6 | 165.1 | 166.7 | 66.9 | 0 | 0 | 0 | 108.8 | C74 V88 S89 F90 N102 V106 | C74-L76 PolarHBondContact O-N 3.23Å; L76-V88 HydrophobicContact CD1-CG1 3.42Å; L76-V88 VanDerWaalsContact CD1-CG1 3.42Å; L76-V88 HydrophobicContact CD2-CG1 3.74Å; L76-V88 HydrophobicContact CG-CG1 3.95Å; L76-S89 VanDerWaalsContact CD1-C 3.43Å; L76-S89 WeakPolarHBondContact CD1-O 3.38Å; L76-F90 HydrophobicContact CD1-CB 4.36Å; L76-F90 HydrophobicContact CD1-CD1 3.58Å; L76-F90 HydrophobicContact CD1-CD2 4Å; L76-F90 HydrophobicContact CD1-CE1 3.77Å; L76-F90 HydrophobicContact CD1-CE2 4.16Å; L76-F90 HydrophobicContact CD1-CG 3.71Å; L76-F90 HydrophobicContact CD1-CZ 4.05Å; L76-F90 HydrophobicContact CD2-CE1 4.07Å; L76-F90 HydrophobicContact CD2-CZ 4.33Å; L76-F90 HydrophobicContact CG-CE1 4.45Å; L76-N102 HydrophobicContact CB-CB 4.35Å; L76-N102 HydrophobicContact CD2-CB 4.05Å; L76-V106 HydrophobicContact CD2-CG2 3.49Å; L76-V106 VanDerWaalsContact CD2-CG2 3.49Å | ||
| 77 | D | 88.8 | Confident | 73.3 | Confident | 68 Ų | 68 | 105.6 Ų | 105.6 | 36% | 0.364 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 133.3 | 173.1 | -179.2 | -104.6 | 0 | 0 | 0 | 110.9 | V79 V88 S89 | D77-V79 WeakPolarHBondContact OD1-CG2 3.41Å; D77-V88 WeakPolarHBondContact O-CA 3.19Å; D77-S89 PolarHBondContact N-O 2.91Å; D77-S89 VanDerWaalsContact N-O 3.08Å; D77-S89 PolarHBondContact O-N 3.43Å |
| 78 | L | 90.9 | Very high | 75.4 | Confident | 27 Ų | 27 | 103.5 Ų | 103.5 | 14% | 0.141 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 116.8 | -177.9 | -171.7 | 149.9 | 0 | 0 | 0 | 110.2 | Y80 I86 A87 V88 V106 M109 | L78-Y80 HydrophobicContact CD2-CD2 4.18Å; L78-Y80 HydrophobicContact CD2-CE2 3.65Å; L78-I86 HydrophobicContact CD1-CG2 4.22Å; L78-I86 HydrophobicContact CD2-CG2 3.71Å; L78-I86 HydrophobicContact CG-CG2 3.73Å; L78-A87 WeakPolarHBondContact CA-O 3.46Å; L78-V88 HydrophobicContact CD1-CG2 4.01Å; L78-V88 HydrophobicContact CG-CG2 4.12Å; L78-V106 HydrophobicContact CD1-CG2 4.15Å; L78-M109 HydrophobicContact CD1-CE 3.7Å; L78-M109 HydrophobicContact CD1-SD 4.33Å; L78-M109 HydrophobicContact CD2-CE 4.37Å |
| 79 | V | 91.4 | Very high | 77.5 | Confident | 65 Ų | 65 | 95.4 Ų | 95.4 | 39% | 0.394 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130 | -171.7 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | D77 V81 I86 A87 | D77-V79 WeakPolarHBondContact OD1-CG2 3.41Å; V79-V81 PolarHBondContact O-N 3.01Å; V79-I86 CarbonylContact O-C 3.57Å; V79-I86 WeakPolarHBondContact O-CA 3.42Å; V79-A87 PolarHBondContact N-O 2.83Å; V79-A87 PolarHBondContact O-N 3.28Å |
| 80 | Y | 90.3 | Very high | 79.5 | Confident | 85 Ų | 85 | 94.6 Ų | 94.6 | 33% | 0.333 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 103.1 | 168 | -71.2 | -105.1 | 0 | 0 | 0 | 108 | L78 T82 I86 K113 | L78-Y80 HydrophobicContact CD2-CD2 4.18Å; L78-Y80 HydrophobicContact CD2-CE2 3.65Å; Y80-T82 VanDerWaalsContact C-N 3.34Å; Y80-I86 HydrophobicContact CD1-CD1 4.29Å; Y80-I86 HydrophobicContact CD1-CG1 3.81Å; Y80-I86 HydrophobicContact CE1-CD1 3.6Å; Y80-I86 HydrophobicContact CE1-CG1 3.66Å; Y80-I86 HydrophobicContact CG-CG1 4.34Å; Y80-K113 PolarHBondContact OH-NZ 2.82Å |
| 81 | V | 92.4 | Very high | 81.7 | Confident | 91 Ų | 91 | 88.4 Ų | 88.4 | 55% | 0.552 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -72.1 | -36.1 | 175.3 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | V79 I85 A87 | V79-V81 PolarHBondContact O-N 3.01Å; V81-I85 HydrophobicContact CB-CB 4.3Å; V81-I85 HydrophobicContact CB-CG2 4.05Å; V81-I85 HydrophobicContact CG2-CG2 4.36Å; V81-I85 PolarHBondContact N-O 3.03Å; V81-A87 HydrophobicContact CG2-CB 3.79Å |
| 82 | T | 93.5 | Very high | 83.2 | Confident | 56 Ų | 56 | 86.5 Ų | 86.5 | 34% | 0.344 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -143.1 | -179.1 | 169.2 | 70.1 | 0 | 0 | 0 | 0 | 109.3 | Y80 R84 I85 | Y80-T82 VanDerWaalsContact C-N 3.34Å; T82-R84 PolarHBondContact O-N 3.1Å; T82-R84 VanDerWaalsContact O-N 3.08Å; T82-R84 PolarHBondContact OG1-N 3.27Å; T82-I85 HydrophobicContact CG2-CD1 4.3Å; T82-I85 PolarHBondContact N-O 2.67Å; T82-I85 WeakPolarHBondContact OG1-CB 3.4Å; T82-I85 WeakPolarHBondContact OG1-CG1 3.43Å; T82-I85 PolarHBondContact OG1-N 3.38Å |
| 83 | E | 87.4 | Confident | 84.9 | Confident | 171 Ų | 171 | 86.1 Ų | 86.1 | 80% | 0.799 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -62.2 | -14.4 | 174 | -50.7 | 88 | 160.9 | 0 | 0 | 113.3 | ||
| 84 | R | 90.6 | Very high | 86.1 | Confident | 231 Ų | 231 | 82.2 Ų | 82.2 | 87% | 0.872 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -124.3 | -12.6 | -176.6 | -62.4 | -178.7 | -178.3 | -90 | -0.9 | 114.4 | T82 | T82-R84 PolarHBondContact O-N 3.1Å; T82-R84 VanDerWaalsContact O-N 3.08Å; T82-R84 PolarHBondContact OG1-N 3.27Å |
| 85 | I | 93.1 | Very high | 87.4 | Confident | 98 Ų | 98 | 84.4 Ų | 84.4 | 50% | 0.503 | 46% | 0.455 | S | S | . | . | trans | -115.3 | 117.6 | -176.7 | -59.4 | 173.2 | 0 | 0 | 0 | 108.7 | V81 T82 | V81-I85 HydrophobicContact CB-CB 4.3Å; V81-I85 HydrophobicContact CB-CG2 4.05Å; V81-I85 HydrophobicContact CG2-CG2 4.36Å; V81-I85 PolarHBondContact N-O 3.03Å; T82-I85 HydrophobicContact CG2-CD1 4.3Å; T82-I85 PolarHBondContact N-O 2.67Å; T82-I85 WeakPolarHBondContact OG1-CB 3.4Å; T82-I85 WeakPolarHBondContact OG1-CG1 3.43Å; T82-I85 PolarHBondContact OG1-N 3.38Å | ||
| 86 | I | 93.8 | Very high | 88.1 | Confident | 40 Ų | 40 | 80.9 Ų | 80.9 | 21% | 0.205 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122.1 | 174.3 | -57.4 | 171.6 | 0 | 0 | 0 | 107.4 | L78 V79 Y80 V88 M109 L110 | L78-I86 HydrophobicContact CD1-CG2 4.22Å; L78-I86 HydrophobicContact CD2-CG2 3.71Å; L78-I86 HydrophobicContact CG-CG2 3.73Å; V79-I86 CarbonylContact O-C 3.57Å; V79-I86 WeakPolarHBondContact O-CA 3.42Å; Y80-I86 HydrophobicContact CD1-CD1 4.29Å; Y80-I86 HydrophobicContact CD1-CG1 3.81Å; Y80-I86 HydrophobicContact CE1-CD1 3.6Å; Y80-I86 HydrophobicContact CE1-CG1 3.66Å; Y80-I86 HydrophobicContact CG-CG1 4.34Å; I86-V88 HydrophobicContact CG2-CG2 3.96Å; I86-M109 HydrophobicContact CD1-CE 4.29Å; I86-L110 HydrophobicContact CD1-CD2 3.85Å |
| 87 | A | 93.2 | Very high | 88 | Confident | 44 Ų | 44 | 86.2 Ų | 86.2 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 141 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | L78 V79 V81 | L78-A87 WeakPolarHBondContact CA-O 3.46Å; V79-A87 PolarHBondContact N-O 2.83Å; V79-A87 PolarHBondContact O-N 3.28Å; V81-A87 HydrophobicContact CG2-CB 3.79Å |
| 88 | V | 91.4 | Very high | 87.9 | Confident | 52 Ų | 52 | 84.2 Ų | 84.2 | 32% | 0.315 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 127 | 179.3 | -178.9 | 0 | 0 | 0 | 0 | 107.3 | L76 D77 L78 I86 F90 | L76-V88 HydrophobicContact CD1-CG1 3.42Å; L76-V88 VanDerWaalsContact CD1-CG1 3.42Å; L76-V88 HydrophobicContact CD2-CG1 3.74Å; L76-V88 HydrophobicContact CG-CG1 3.95Å; D77-V88 WeakPolarHBondContact O-CA 3.19Å; L78-V88 HydrophobicContact CD1-CG2 4.01Å; L78-V88 HydrophobicContact CG-CG2 4.12Å; I86-V88 HydrophobicContact CG2-CG2 3.96Å; V88-F90 HydrophobicContact CG1-CE2 4.05Å; V88-F90 HydrophobicContact CG1-CZ 4.29Å |
| 89 | S | 89.4 | Confident | 87.6 | Confident | 65 Ų | 65 | 83.7 Ų | 83.7 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 125.6 | 179.1 | 71.9 | 0 | 0 | 0 | 0 | 112.5 | L76 D77 | L76-S89 VanDerWaalsContact CD1-C 3.43Å; L76-S89 WeakPolarHBondContact CD1-O 3.38Å; D77-S89 PolarHBondContact N-O 2.91Å; D77-S89 VanDerWaalsContact N-O 3.08Å; D77-S89 PolarHBondContact O-N 3.43Å |
| 90 | F | 85.4 | Confident | 87.4 | Confident | 65 Ų | 65 | 85 Ų | 85 | 29% | 0.285 | 45% | 0.446 | S | S | . | . | trans | -90.2 | 135.5 | -178.7 | -61.9 | -95.6 | 0 | 0 | 0 | 109.7 | L76 V88 F99 N102 L103 | L76-F90 HydrophobicContact CD1-CB 4.36Å; L76-F90 HydrophobicContact CD1-CD1 3.58Å; L76-F90 HydrophobicContact CD1-CD2 4Å; L76-F90 HydrophobicContact CD1-CE1 3.77Å; L76-F90 HydrophobicContact CD1-CE2 4.16Å; L76-F90 HydrophobicContact CD1-CG 3.71Å; L76-F90 HydrophobicContact CD1-CZ 4.05Å; L76-F90 HydrophobicContact CD2-CE1 4.07Å; L76-F90 HydrophobicContact CD2-CZ 4.33Å; L76-F90 HydrophobicContact CG-CE1 4.45Å; V88-F90 HydrophobicContact CG1-CE2 4.05Å; V88-F90 HydrophobicContact CG1-CZ 4.29Å; F90-F99 HydrophobicContact CB-CD2 4.48Å; F90-F99 AromaticContact CD1-CD2 3.54Å; F90-F99 HydrophobicContact CD1-CD2 3.54Å; F90-F99 AromaticContact CD1-CE2 3.93Å; F90-F99 HydrophobicContact CD1-CE2 3.93Å; F90-F99 HydrophobicContact CD2-CD2 4.18Å; F90-F99 AromaticContact CD2-CE2 3.77Å; F90-F99 HydrophobicContact CD2-CE2 3.77Å; F90-F99 AromaticContact CE1-CD2 3.66Å; F90-F99 HydrophobicContact CE1-CD2 3.66Å; F90-F99 AromaticContact CE1-CE2 3.84Å; F90-F99 HydrophobicContact CE1-CE2 3.84Å; F90-F99 HydrophobicContact CE2-CD2 4.3Å; F90-F99 AromaticContact CE2-CE2 3.69Å; F90-F99 HydrophobicContact CE2-CE2 3.69Å; F90-F99 AromaticContact CG-CD2 3.82Å; F90-F99 HydrophobicContact CG-CD2 3.82Å; F90-F99 AromaticContact CG-CE2 3.9Å; F90-F99 HydrophobicContact CG-CE2 3.9Å; F90-F99 HydrophobicContact CZ-CD2 4.06Å; F90-F99 AromaticContact CZ-CE2 3.73Å; F90-F99 HydrophobicContact CZ-CE2 3.73Å; F90-F99 HydrophobicContact CZ-CZ 4.46Å; F90-N102 HydrophobicContact CE1-CB 3.98Å; F90-L103 HydrophobicContact CZ-CD1 4.34Å | ||
| 91 | P | 83.6 | Confident | 87.3 | Confident | 45 Ų | 45 | 83.3 Ų | 83.3 | 29% | 0.292 | 45% | 0.447 | S | S | . | . | trans | -67.1 | 141.9 | 176.6 | 28.3 | -33.9 | 0 | 0 | 0 | 110.3 | E75 T93 A94 | E75-P91 WeakPolarHBondContact O-CD 3.46Å; E75-P91 WeakPolarHBondContact O-CG 3.33Å; P91-T93 PolarHBondContact O-N 2.82Å; P91-A94 HydrophobicContact CG-CB 4.17Å; P91-A94 VanDerWaalsContact O-CB 3.3Å; P91-A94 WeakPolarHBondContact O-CB 3.48Å; P91-A94 PolarHBondContact O-N 3.04Å | ||
| 92 | S | 78.3 | Confident | 87.1 | Confident | 134 Ų | 134 | 79.8 Ų | 79.8 | 94% | 0.937 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -14.6 | -178.6 | -46 | 0 | 0 | 0 | 0 | 114.4 | ||
| 93 | T | 80.8 | Confident | 86.9 | Confident | 129 Ų | 129 | 77.7 Ų | 77.7 | 79% | 0.791 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -2.3 | 176.9 | 54 | 0 | 0 | 0 | 0 | 113.6 | P91 N95 | P91-T93 PolarHBondContact O-N 2.82Å; T93-N95 PolarHBondContact O-N 3.37Å |
| 94 | A | 77.3 | Confident | 87 | Confident | 28 Ų | 28 | 76.3 Ų | 76.3 | 23% | 0.231 | 40% | 0.399 | C | S | . | . | trans | -63.2 | 129.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | P91 | P91-A94 HydrophobicContact CG-CB 4.17Å; P91-A94 VanDerWaalsContact O-CB 3.3Å; P91-A94 WeakPolarHBondContact O-CB 3.48Å; P91-A94 PolarHBondContact O-N 3.04Å | ||
| 95 | N | 85.3 | Confident | 86.9 | Confident | 79 Ų | 79 | 70 Ų | 70 | 42% | 0.422 | 38% | 0.379 | S | S | . | . | trans | -75.7 | 167.1 | 170.4 | 71 | 29.3 | 0 | 0 | 0 | 110.7 | T93 E97 N98 F99 | T93-N95 PolarHBondContact O-N 3.37Å; N95-E97 PolarHBondContact O-N 3.11Å; N95-E97 PolarHBondContact OD1-N 3.39Å; N95-E97 VanDerWaalsContact OD1-N 3.16Å; N95-N98 PolarHBondContact ND2-OD1 3.08Å; N95-N98 PolarHBondContact O-N 3.26Å; N95-N98 VanDerWaalsContact OD1-CB 3.23Å; N95-N98 WeakPolarHBondContact OD1-CB 3.19Å; N95-N98 PolarHBondContact OD1-N 2.94Å; N95-N98 PolarHBondContact OD1-OD1 3.18Å; N95-N98 VanDerWaalsContact OD1-OD1 3.07Å; N95-F99 WeakPolarHBondContact O-CB 3.4Å; N95-F99 PolarHBondContact O-N 3.1Å | ||
| 96 | E | 86.1 | Confident | 86.7 | Confident | 86 Ų | 86 | 66 Ų | 66 | 40% | 0.402 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.7 | -21.7 | -177.9 | -80.7 | -68.8 | 132.7 | 0 | 0 | 114.7 | R100 R127 | E96-R100 WeakPolarHBondContact O-CG 3.47Å; E96-R100 PolarHBondContact O-N 3.03Å; E96-R100 PolarHBondContact O-NH1 3.45Å; E96-R100 VanDerWaalsContact O-NH1 3.13Å; E96-R100 IonicContact OE2-CZ 3.67Å; E96-R100 IonicContact OE2-NH1 2.77Å; E96-R100 PolarHBondContact OE2-NH1 2.94Å; E96-R100 IonicContact OE2-NH2 2.76Å; E96-R127 IonicContact OE1-CZ 3.25Å; E96-R127 VanDerWaalsContact OE1-CZ 3.25Å; E96-R127 IonicContact OE1-NH1 3.76Å; E96-R127 PolarHBondContact OE1-NH1 3.28Å; E96-R127 IonicContact OE1-NH2 2.83Å; E96-R127 PolarHBondContact OE1-NH2 3.02Å; E96-R127 IonicContact OE2-NH1 3.81Å; E96-R127 PolarHBondContact OE2-NH1 3.16Å |
| 97 | E | 85.9 | Confident | 86.5 | Confident | 152 Ų | 152 | 64.6 Ų | 64.6 | 71% | 0.71 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -79.4 | -49.6 | 177.9 | 178.5 | 160.6 | -148.8 | 0 | 0 | 110.8 | N95 F99 R100 S101 | N95-E97 PolarHBondContact O-N 3.11Å; N95-E97 PolarHBondContact OD1-N 3.39Å; N95-E97 VanDerWaalsContact OD1-N 3.16Å; E97-F99 VanDerWaalsContact C-N 3.31Å; E97-F99 PolarHBondContact O-N 2.83Å; E97-R100 CarbonylContact O-C 3.57Å; E97-R100 WeakPolarHBondContact O-CA 3.45Å; E97-R100 WeakPolarHBondContact O-CB 3.2Å; E97-R100 PolarHBondContact O-N 2.9Å; E97-S101 PolarHBondContact O-N 3.4Å |
| 98 | N | 85.5 | Confident | 86.3 | Confident | 25 Ų | 25 | 68.1 Ų | 68.1 | 13% | 0.134 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.7 | -36.1 | 178.1 | -63.2 | 15.5 | 0 | 0 | 0 | 110.5 | C74 N95 S101 N102 | C74-N98 HydrophobicContact CB-CB 3.72Å; C74-N98 WeakPolarHBondContact CB-ND2 3.46Å; C74-N98 PolarHBondContact SG-ND2 3.28Å; N95-N98 PolarHBondContact ND2-OD1 3.08Å; N95-N98 PolarHBondContact O-N 3.26Å; N95-N98 VanDerWaalsContact OD1-CB 3.23Å; N95-N98 WeakPolarHBondContact OD1-CB 3.19Å; N95-N98 PolarHBondContact OD1-N 2.94Å; N95-N98 PolarHBondContact OD1-OD1 3.18Å; N95-N98 VanDerWaalsContact OD1-OD1 3.07Å; N98-S101 PolarHBondContact O-N 3.47Å; N98-N102 VanDerWaalsContact O-CB 3.23Å; N98-N102 WeakPolarHBondContact O-CB 3.39Å; N98-N102 PolarHBondContact O-N 3.3Å |
| 99 | F | 85.8 | Confident | 86.2 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 8% | 0.075 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.1 | -50 | 168.4 | 178.7 | -95.2 | 0 | 0 | 0 | 111.5 | F90 N95 E97 S101 L103 I130 | F90-F99 HydrophobicContact CB-CD2 4.48Å; F90-F99 AromaticContact CD1-CD2 3.54Å; F90-F99 HydrophobicContact CD1-CD2 3.54Å; F90-F99 AromaticContact CD1-CE2 3.93Å; F90-F99 HydrophobicContact CD1-CE2 3.93Å; F90-F99 HydrophobicContact CD2-CD2 4.18Å; F90-F99 AromaticContact CD2-CE2 3.77Å; F90-F99 HydrophobicContact CD2-CE2 3.77Å; F90-F99 AromaticContact CE1-CD2 3.66Å; F90-F99 HydrophobicContact CE1-CD2 3.66Å; F90-F99 AromaticContact CE1-CE2 3.84Å; F90-F99 HydrophobicContact CE1-CE2 3.84Å; F90-F99 HydrophobicContact CE2-CD2 4.3Å; F90-F99 AromaticContact CE2-CE2 3.69Å; F90-F99 HydrophobicContact CE2-CE2 3.69Å; F90-F99 AromaticContact CG-CD2 3.82Å; F90-F99 HydrophobicContact CG-CD2 3.82Å; F90-F99 AromaticContact CG-CE2 3.9Å; F90-F99 HydrophobicContact CG-CE2 3.9Å; F90-F99 HydrophobicContact CZ-CD2 4.06Å; F90-F99 AromaticContact CZ-CE2 3.73Å; F90-F99 HydrophobicContact CZ-CE2 3.73Å; F90-F99 HydrophobicContact CZ-CZ 4.46Å; N95-F99 WeakPolarHBondContact O-CB 3.4Å; N95-F99 PolarHBondContact O-N 3.1Å; E97-F99 VanDerWaalsContact C-N 3.31Å; E97-F99 PolarHBondContact O-N 2.83Å; F99-S101 PolarHBondContact O-N 3.44Å; F99-L103 HydrophobicContact CE1-CD2 4.07Å; F99-L103 HydrophobicContact CZ-CD2 4.45Å; F99-L103 WeakPolarHBondContact O-CB 3.4Å; F99-L103 PolarHBondContact O-N 3.16Å; F99-I130 HydrophobicContact CE1-CG1 4.44Å; F99-I130 HydrophobicContact CZ-CD1 4.14Å; F99-I130 HydrophobicContact CZ-CG1 4.22Å |
| 100 | R | 86.8 | Confident | 86.3 | Confident | 93 Ų | 93 | 65 Ų | 65 | 35% | 0.351 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.1 | -35.6 | 178.4 | -77 | -178.7 | 176.9 | 78.4 | -0.4 | 113 | E96 E97 R104 D129 | E96-R100 WeakPolarHBondContact O-CG 3.47Å; E96-R100 PolarHBondContact O-N 3.03Å; E96-R100 PolarHBondContact O-NH1 3.45Å; E96-R100 VanDerWaalsContact O-NH1 3.13Å; E96-R100 IonicContact OE2-CZ 3.67Å; E96-R100 IonicContact OE2-NH1 2.77Å; E96-R100 PolarHBondContact OE2-NH1 2.94Å; E96-R100 IonicContact OE2-NH2 2.76Å; E97-R100 CarbonylContact O-C 3.57Å; E97-R100 WeakPolarHBondContact O-CA 3.45Å; E97-R100 WeakPolarHBondContact O-CB 3.2Å; E97-R100 PolarHBondContact O-N 2.9Å; R100-R104 WeakPolarHBondContact O-CB 3.44Å; R100-R104 PolarHBondContact O-N 3.45Å; R100-R104 VanDerWaalsContact O-N 3.11Å; R100-D129 IonicContact CZ-OD1 2.73Å; R100-D129 IonicContact CZ-OD2 2.89Å; R100-D129 IonicContact NE-OD1 3.37Å; R100-D129 PolarHBondContact NE-OD1 3.05Å; R100-D129 IonicContact NE-OD2 3.36Å; R100-D129 IonicContact NH2-OD1 3.53Å; R100-D129 PolarHBondContact NH2-OD1 2.86Å; R100-D129 IonicContact NH2-OD2 3.03Å; R100-D129 PolarHBondContact NH2-OD2 3.43Å |
| 101 | S | 87.6 | Confident | 86.4 | Confident | 49 Ų | 49 | 69.1 Ų | 69.1 | 34% | 0.343 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.4 | -54.7 | 176.7 | -160.7 | 0 | 0 | 0 | 0 | 111 | E97 N98 F99 L103 R104 E105 | E97-S101 PolarHBondContact O-N 3.4Å; N98-S101 PolarHBondContact O-N 3.47Å; F99-S101 PolarHBondContact O-N 3.44Å; S101-L103 VanDerWaalsContact C-N 3.29Å; S101-L103 PolarHBondContact O-N 3.03Å; S101-R104 WeakPolarHBondContact O-CA 3.45Å; S101-R104 VanDerWaalsContact O-CB 3.27Å; S101-R104 WeakPolarHBondContact O-CB 3.36Å; S101-R104 PolarHBondContact O-N 2.96Å; S101-E105 PolarHBondContact O-N 3.15Å |
| 102 | N | 87.7 | Confident | 86.6 | Confident | 17 Ų | 17 | 71.9 Ų | 71.9 | 9% | 0.091 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.3 | -40.7 | 178.3 | -71.4 | -5.5 | 0 | 0 | 0 | 111.8 | C74 L76 F90 N98 R104 E105 V106 | C74-N102 PolarHBondContact O-ND2 3.08Å; L76-N102 HydrophobicContact CB-CB 4.35Å; L76-N102 HydrophobicContact CD2-CB 4.05Å; F90-N102 HydrophobicContact CE1-CB 3.98Å; N98-N102 VanDerWaalsContact O-CB 3.23Å; N98-N102 WeakPolarHBondContact O-CB 3.39Å; N98-N102 PolarHBondContact O-N 3.3Å; N102-R104 VanDerWaalsContact C-N 3.34Å; N102-R104 PolarHBondContact O-N 2.94Å; N102-E105 PolarHBondContact O-N 2.92Å; N102-V106 WeakPolarHBondContact O-CG2 3.45Å; N102-V106 PolarHBondContact O-N 2.96Å |
| 103 | L | 89.1 | Confident | 87 | Confident | 11 Ų | 11 | 71.6 Ų | 71.6 | 6% | 0.058 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 175.3 | -173.3 | 70.8 | 0 | 0 | 0 | 112 | F90 F99 S101 V106 A107 I130 L133 | F90-L103 HydrophobicContact CZ-CD1 4.34Å; F99-L103 HydrophobicContact CE1-CD2 4.07Å; F99-L103 HydrophobicContact CZ-CD2 4.45Å; F99-L103 WeakPolarHBondContact O-CB 3.4Å; F99-L103 PolarHBondContact O-N 3.16Å; S101-L103 VanDerWaalsContact C-N 3.29Å; S101-L103 PolarHBondContact O-N 3.03Å; L103-V106 PolarHBondContact O-N 3.36Å; L103-A107 WeakPolarHBondContact O-CB 3.41Å; L103-A107 PolarHBondContact O-N 3.37Å; L103-I130 HydrophobicContact CD1-CG1 4.49Å; L103-I130 HydrophobicContact CD2-CB 4.47Å; L103-I130 HydrophobicContact CD2-CG1 3.91Å; L103-L133 HydrophobicContact CB-CD2 4.42Å; L103-L133 HydrophobicContact CD2-CD2 4.11Å; L103-L133 HydrophobicContact CG-CD2 3.7Å; L103-L133 WeakPolarHBondContact O-CD2 3.4Å |
| 104 | R | 89.4 | Confident | 87.4 | Confident | 143 Ų | 143 | 68.3 Ų | 68.3 | 54% | 0.54 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 173 | -171.7 | -174.9 | -66 | 149 | 0.1 | 111.8 | R100 S101 N102 A107 Q108 | R100-R104 WeakPolarHBondContact O-CB 3.44Å; R100-R104 PolarHBondContact O-N 3.45Å; R100-R104 VanDerWaalsContact O-N 3.11Å; S101-R104 WeakPolarHBondContact O-CA 3.45Å; S101-R104 VanDerWaalsContact O-CB 3.27Å; S101-R104 WeakPolarHBondContact O-CB 3.36Å; S101-R104 PolarHBondContact O-N 2.96Å; N102-R104 VanDerWaalsContact C-N 3.34Å; N102-R104 PolarHBondContact O-N 2.94Å; R104-A107 PolarHBondContact O-N 2.73Å; R104-Q108 WeakPolarHBondContact O-CG 3.38Å; R104-Q108 PolarHBondContact O-N 3.49Å |
| 105 | E | 89.1 | Confident | 87.9 | Confident | 99 Ų | 99 | 68.6 Ų | 68.6 | 46% | 0.463 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 176.7 | -67.5 | -169.9 | -170 | 0 | 0 | 112.2 | S101 N102 A107 Q108 M109 | S101-E105 PolarHBondContact O-N 3.15Å; N102-E105 PolarHBondContact O-N 2.92Å; E105-A107 VanDerWaalsContact C-N 3.31Å; E105-A107 PolarHBondContact O-N 2.77Å; E105-Q108 PolarHBondContact O-N 2.95Å; E105-M109 WeakPolarHBondContact O-CB 3.22Å; E105-M109 PolarHBondContact O-N 3.28Å |
| 106 | V | 89.4 | Confident | 87.8 | Confident | 14 Ų | 14 | 67.3 Ų | 67.3 | 9% | 0.085 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 174.4 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | L76 L78 N102 L103 Q108 M109 L110 | L76-V106 HydrophobicContact CD2-CG2 3.49Å; L76-V106 VanDerWaalsContact CD2-CG2 3.49Å; L78-V106 HydrophobicContact CD1-CG2 4.15Å; N102-V106 WeakPolarHBondContact O-CG2 3.45Å; N102-V106 PolarHBondContact O-N 2.96Å; L103-V106 PolarHBondContact O-N 3.36Å; V106-Q108 PolarHBondContact O-N 2.76Å; V106-M109 PolarHBondContact O-N 3.03Å; V106-L110 HydrophobicContact CG1-CD1 3.82Å; V106-L110 HydrophobicContact CG1-CG 4.2Å; V106-L110 WeakPolarHBondContact O-CB 3.31Å; V106-L110 VanDerWaalsContact O-CG 3.27Å; V106-L110 WeakPolarHBondContact O-CG 3.39Å; V106-L110 PolarHBondContact O-N 2.89Å |
| 107 | A | 89.6 | Confident | 88 | Confident | 9 Ų | 9 | 70.2 Ų | 70.2 | 7% | 0.074 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | L103 R104 E105 K111 L133 H134 | L103-A107 WeakPolarHBondContact O-CB 3.41Å; L103-A107 PolarHBondContact O-N 3.37Å; R104-A107 PolarHBondContact O-N 2.73Å; E105-A107 VanDerWaalsContact C-N 3.31Å; E105-A107 PolarHBondContact O-N 2.77Å; A107-K111 VanDerWaalsContact O-CB 3.22Å; A107-K111 WeakPolarHBondContact O-CB 3.27Å; A107-K111 PolarHBondContact O-N 2.83Å; A107-L133 HydrophobicContact CB-CD1 4.41Å; A107-L133 HydrophobicContact CB-CD2 3.51Å; A107-L133 HydrophobicContact CB-CG 3.79Å; A107-H134 WeakPolarHBondContact CB-CE1 3.49Å |
| 108 | Q | 88.7 | Confident | 88.3 | Confident | 119 Ų | 119 | 65.2 Ų | 65.2 | 56% | 0.556 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66 | -42.6 | 174.4 | -72.7 | -179.9 | 4.4 | 0 | 0 | 111.9 | R104 E105 V106 K111 S112 | R104-Q108 WeakPolarHBondContact O-CG 3.38Å; R104-Q108 PolarHBondContact O-N 3.49Å; E105-Q108 PolarHBondContact O-N 2.95Å; V106-Q108 PolarHBondContact O-N 2.76Å; Q108-K111 PolarHBondContact O-N 3.47Å; Q108-S112 VanDerWaalsContact O-CB 3.31Å; Q108-S112 WeakPolarHBondContact O-CB 3.43Å; Q108-S112 PolarHBondContact O-N 3.25Å; Q108-S112 PolarHBondContact O-OG 3.47Å |
| 109 | M | 90.6 | Very high | 88.6 | Confident | 37 Ų | 37 | 68 Ų | 68 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.1 | -49.7 | 175.3 | -173.7 | -159.2 | 61.5 | 0 | 0 | 110.9 | L78 I86 E105 V106 K111 S112 K113 | L78-M109 HydrophobicContact CD1-CE 3.7Å; L78-M109 HydrophobicContact CD1-SD 4.33Å; L78-M109 HydrophobicContact CD2-CE 4.37Å; I86-M109 HydrophobicContact CD1-CE 4.29Å; E105-M109 WeakPolarHBondContact O-CB 3.22Å; E105-M109 PolarHBondContact O-N 3.28Å; V106-M109 PolarHBondContact O-N 3.03Å; M109-K111 VanDerWaalsContact C-N 3.34Å; M109-K111 PolarHBondContact O-N 3.28Å; M109-S112 PolarHBondContact O-N 3.17Å; M109-S112 VanDerWaalsContact O-N 3.16Å; M109-K113 HydrophobicContact CG-CD 4.13Å; M109-K113 HydrophobicContact CG-CG 4.35Å; M109-K113 WeakPolarHBondContact O-CB 3.46Å; M109-K113 PolarHBondContact O-N 2.97Å; M109-K113 HydrophobicContact SD-CD 4.44Å |
| 110 | L | 90.5 | Very high | 88.9 | Confident | 14 Ų | 14 | 69 Ų | 69 | 7% | 0.073 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61 | -43.6 | 179.3 | -72.2 | 174.1 | 0 | 0 | 0 | 111.3 | I86 V106 S112 H114 G115 Y118 | I86-L110 HydrophobicContact CD1-CD2 3.85Å; V106-L110 HydrophobicContact CG1-CD1 3.82Å; V106-L110 HydrophobicContact CG1-CG 4.2Å; V106-L110 WeakPolarHBondContact O-CB 3.31Å; V106-L110 VanDerWaalsContact O-CG 3.27Å; V106-L110 WeakPolarHBondContact O-CG 3.39Å; V106-L110 PolarHBondContact O-N 2.89Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 2.98Å; L110-H114 WeakPolarHBondContact O-CA 3.35Å; L110-H114 WeakPolarHBondContact O-CB 3.47Å; L110-H114 PolarHBondContact O-N 3.01Å; L110-G115 PolarHBondContact O-N 2.71Å; L110-Y118 HydrophobicContact CB-CD1 3.96Å; L110-Y118 HydrophobicContact CB-CD2 4.44Å; L110-Y118 HydrophobicContact CB-CE1 3.83Å; L110-Y118 HydrophobicContact CB-CE2 4.34Å; L110-Y118 HydrophobicContact CB-CG 4.26Å; L110-Y118 HydrophobicContact CD1-CD2 4.03Å; L110-Y118 HydrophobicContact CD1-CE2 4Å |
| 111 | K | 87.6 | Confident | 89.1 | Confident | 151 Ų | 151 | 70 Ų | 70 | 66% | 0.657 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.4 | -34.8 | 175.9 | -170.1 | 175.1 | -177.4 | 179.2 | 0 | 112.6 | A107 Q108 M109 G115 | A107-K111 VanDerWaalsContact O-CB 3.22Å; A107-K111 WeakPolarHBondContact O-CB 3.27Å; A107-K111 PolarHBondContact O-N 2.83Å; Q108-K111 PolarHBondContact O-N 3.47Å; M109-K111 VanDerWaalsContact C-N 3.34Å; M109-K111 PolarHBondContact O-N 3.28Å; K111-G115 WeakPolarHBondContact O-CA 3.27Å; K111-G115 PolarHBondContact O-N 2.92Å; K111-G115 VanDerWaalsContact O-N 3.11Å |
| 112 | S | 87.2 | Confident | 89.3 | Confident | 104 Ų | 104 | 68.2 Ų | 68.2 | 73% | 0.727 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -78.1 | -39 | -179.8 | -56 | 0 | 0 | 0 | 0 | 112.8 | Q108 M109 L110 | Q108-S112 VanDerWaalsContact O-CB 3.31Å; Q108-S112 WeakPolarHBondContact O-CB 3.43Å; Q108-S112 PolarHBondContact O-N 3.25Å; Q108-S112 PolarHBondContact O-OG 3.47Å; M109-S112 PolarHBondContact O-N 3.17Å; M109-S112 VanDerWaalsContact O-N 3.16Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 2.98Å |
| 113 | K | 88.1 | Confident | 89.4 | Confident | 128 Ų | 128 | 72.5 Ų | 72.5 | 56% | 0.557 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -85.9 | -36 | -178.9 | -69.6 | -166.7 | 179.4 | -167.3 | 0 | 114 | Y80 M109 | Y80-K113 PolarHBondContact OH-NZ 2.82Å; M109-K113 HydrophobicContact CG-CD 4.13Å; M109-K113 HydrophobicContact CG-CG 4.35Å; M109-K113 WeakPolarHBondContact O-CB 3.46Å; M109-K113 PolarHBondContact O-N 2.97Å; M109-K113 HydrophobicContact SD-CD 4.44Å |
| 114 | H | 89.1 | Confident | 89.2 | Confident | 60 Ų | 60 | 74.4 Ų | 74.4 | 28% | 0.278 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -121.9 | -1.1 | -171.1 | -51.2 | -77.2 | 0 | 0 | 0 | 113.5 | L110 G116 N117 Y118 | L110-H114 WeakPolarHBondContact O-CA 3.35Å; L110-H114 WeakPolarHBondContact O-CB 3.47Å; L110-H114 PolarHBondContact O-N 3.01Å; H114-G116 PolarHBondContact O-N 2.93Å; H114-N117 WeakPolarHBondContact O-CB 3.42Å; H114-N117 PolarHBondContact O-N 2.98Å; H114-Y118 HydrophobicContact CB-CD1 4.46Å |
| 115 | G | 87.2 | Confident | 88.9 | Confident | 34 Ų | 34 | 74.3 Ų | 74.3 | 35% | 0.351 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | -128.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L110 K111 Y118 | L110-G115 PolarHBondContact O-N 2.71Å; K111-G115 WeakPolarHBondContact O-CA 3.27Å; K111-G115 PolarHBondContact O-N 2.92Å; K111-G115 VanDerWaalsContact O-N 3.11Å; G115-Y118 WeakPolarHBondContact O-CD1 3.37Å; G115-Y118 WeakPolarHBondContact O-CE1 3.13Å |
| 116 | G | 83.3 | Confident | 88.4 | Confident | 52 Ų | 52 | 76.7 Ų | 76.7 | 54% | 0.536 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 9.5 | 172 | 0 | 0 | 0 | 0 | 0 | 114.7 | H114 Y118 K136 | H114-G116 PolarHBondContact O-N 2.93Å; G116-Y118 PolarHBondContact O-N 3.28Å; G116-K136 PolarHBondContact O-NZ 2.92Å; G116-K136 VanDerWaalsContact O-NZ 3.12Å |
| 117 | N | 90 | Very high | 88 | Confident | 146 Ų | 146 | 79.1 Ų | 79.1 | 78% | 0.781 | 41% | 0.413 | S | S | * | . | trans | -102.6 | 45.5 | -170.6 | -59.3 | -46.6 | 0 | 0 | 0 | 112.3 | H114 | H114-N117 WeakPolarHBondContact O-CB 3.42Å; H114-N117 PolarHBondContact O-N 2.98Å | ||
| 118 | Y | 91.9 | Very high | 87.6 | Confident | 48 Ų | 48 | 82.3 Ų | 82.3 | 19% | 0.188 | 43% | 0.433 | C | S | . | . | trans | -130.5 | 162.2 | 170.7 | 69.3 | -93.7 | 0 | 0 | 0 | 110.4 | L110 H114 G115 G116 H134 | L110-Y118 HydrophobicContact CB-CD1 3.96Å; L110-Y118 HydrophobicContact CB-CD2 4.44Å; L110-Y118 HydrophobicContact CB-CE1 3.83Å; L110-Y118 HydrophobicContact CB-CE2 4.34Å; L110-Y118 HydrophobicContact CB-CG 4.26Å; L110-Y118 HydrophobicContact CD1-CD2 4.03Å; L110-Y118 HydrophobicContact CD1-CE2 4Å; H114-Y118 HydrophobicContact CB-CD1 4.46Å; G115-Y118 WeakPolarHBondContact O-CD1 3.37Å; G115-Y118 WeakPolarHBondContact O-CE1 3.13Å; G116-Y118 PolarHBondContact O-N 3.28Å; Y118-H134 AromaticContact CE2-ND1 3.48Å; Y118-H134 WeakPolarHBondContact CE2-ND1 3.45Å; Y118-H134 AromaticContact CZ-ND1 3.68Å; Y118-H134 PolarHBondContact OH-ND1 3.21Å | ||
| 119 | L | 92 | Very high | 87.4 | Confident | 84 Ų | 84 | 78.3 Ų | 78.3 | 44% | 0.44 | 42% | 0.415 | S | S | . | . | trans | -134.3 | 130.4 | 176.5 | 178.3 | 62.1 | 0 | 0 | 0 | 106.9 | F121 K136 L138 | L119-F121 HydrophobicContact CB-CE2 4.26Å; L119-F121 HydrophobicContact CD2-CE1 4.31Å; L119-F121 HydrophobicContact CD2-CE2 3.95Å; L119-F121 HydrophobicContact CD2-CZ 3.59Å; L119-F121 HydrophobicContact CG-CE2 3.92Å; L119-F121 HydrophobicContact CG-CZ 4.05Å; L119-K136 HydrophobicContact CD1-CB 3.84Å; L119-L138 HydrophobicContact CD1-CD1 4.36Å; L119-L138 HydrophobicContact CD1-CG 4.18Å; L119-L138 HydrophobicContact CD2-CD1 3.95Å; L119-L138 HydrophobicContact CG-CD1 4.39Å | ||
| 120 | L | 92.5 | Very high | 87.1 | Confident | 38 Ų | 38 | 76.9 Ų | 76.9 | 20% | 0.199 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 131.8 | 180 | -169.7 | 69 | 0 | 0 | 0 | 110 | I130 H134 K136 V137 L138 | L120-I130 HydrophobicContact CD2-CG2 3.36Å; L120-H134 HydrophobicContact CD2-CB 4.38Å; L120-K136 PolarHBondContact N-O 2.84Å; L120-V137 HydrophobicContact CB-CG1 4.42Å; L120-V137 HydrophobicContact CB-CG2 4.35Å; L120-V137 HydrophobicContact CD2-CG1 4.34Å; L120-V137 HydrophobicContact CD2-CG2 4.26Å; L120-V137 CarbonylContact O-C 3.58Å; L120-V137 WeakPolarHBondContact O-CA 3.37Å; L120-L138 PolarHBondContact O-N 3.23Å |
| 121 | F | 91.5 | Very high | 86.8 | Confident | 113 Ų | 113 | 79.7 Ų | 79.7 | 50% | 0.496 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 101.5 | 174.8 | -60.5 | -102.7 | 0 | 0 | 0 | 107.1 | L119 L123 L138 F140 | L119-F121 HydrophobicContact CB-CE2 4.26Å; L119-F121 HydrophobicContact CD2-CE1 4.31Å; L119-F121 HydrophobicContact CD2-CE2 3.95Å; L119-F121 HydrophobicContact CD2-CZ 3.59Å; L119-F121 HydrophobicContact CG-CE2 3.92Å; L119-F121 HydrophobicContact CG-CZ 4.05Å; F121-L123 PolarHBondContact O-N 3.23Å; F121-L138 CarbonylContact C-O 3.6Å; F121-L138 HydrophobicContact CD1-CD1 4.16Å; F121-L138 HydrophobicContact CE1-CD1 3.82Å; F121-L138 HydrophobicContact CZ-CD1 4.48Å; F121-F140 HydrophobicContact CB-CE2 4.07Å; F121-F140 AromaticContact CD1-CE2 3.61Å; F121-F140 HydrophobicContact CD1-CE2 3.61Å; F121-F140 AromaticContact CD1-CZ 3.86Å; F121-F140 HydrophobicContact CD1-CZ 3.86Å; F121-F140 HydrophobicContact CE1-CZ 4.47Å; F121-F140 HydrophobicContact CG-CE2 4.31Å |
| 122 | N | 91.3 | Very high | 86.7 | Confident | 12 Ų | 12 | 80.3 Ų | 80.3 | 6% | 0.064 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 104.9 | 172 | -179.4 | 29.2 | 0 | 0 | 0 | 108.9 | S124 E125 I130 V137 L138 E139 F140 | N122-S124 PolarHBondContact ND2-O 2.85Å; N122-S124 PolarHBondContact OD1-N 3.13Å; N122-S124 PolarHBondContact OD1-OG 3.43Å; N122-E125 PolarHBondContact ND2-O 3.39Å; N122-I130 HydrophobicContact CB-CD1 4.27Å; N122-V137 HydrophobicContact CB-CG1 4.17Å; N122-L138 PolarHBondContact N-O 3.1Å; N122-E139 PolarHBondContact ND2-OE2 2.81Å; N122-F140 PolarHBondContact O-N 3.07Å |
| 123 | L | 90.1 | Very high | 86.5 | Confident | 106 Ų | 106 | 78.7 Ų | 78.7 | 56% | 0.555 | 41% | 0.412 | S | S | * | . | trans | -85 | -18.3 | 174.6 | -57.3 | -178 | 0 | 0 | 0 | 112.7 | F121 F140 W142 | F121-L123 PolarHBondContact O-N 3.23Å; L123-F140 HydrophobicContact CD2-CB 4.21Å; L123-F140 HydrophobicContact CD2-CD2 3.9Å; L123-F140 HydrophobicContact CD2-CG 4.11Å; L123-W142 WeakPolarHBondContact O-CB 3.33Å; L123-W142 PolarHBondContact O-N 3.41Å; L123-W142 VanDerWaalsContact O-N 3.14Å | ||
| 124 | S | 84.1 | Confident | 86.2 | Confident | 52 Ų | 52 | 72.8 Ų | 72.8 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -76.1 | 175.6 | 175.1 | 72 | 0 | 0 | 0 | 0 | 111.9 | N122 G141 | N122-S124 PolarHBondContact ND2-O 2.85Å; N122-S124 PolarHBondContact OD1-N 3.13Å; N122-S124 PolarHBondContact OD1-OG 3.43Å; S124-G141 WeakPolarHBondContact O-CA 3.36Å; S124-G141 PolarHBondContact O-N 3.49Å |
| 125 | E | 84.3 | Confident | 85.6 | Confident | 141 Ų | 141 | 75 Ų | 75 | 66% | 0.659 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -44.4 | 149.1 | 167.7 | -64.5 | -175.7 | 152.1 | 0 | 0 | 112.3 | N122 R127 | N122-E125 PolarHBondContact ND2-O 3.39Å; E125-R127 PolarHBondContact O-N 3.11Å; E125-R127 VanDerWaalsContact O-N 3.1Å |
| 126 | Q | 78.4 | Confident | 85.7 | Confident | 148 Ų | 148 | 78.6 Ų | 78.6 | 69% | 0.692 | 42% | 0.421 | S | S | * | . | trans | -63.5 | 115.1 | -177 | -176.7 | 172.3 | 54.1 | 0 | 0 | 111.2 | E139 | Q126-E139 HydrophobicContact CG-CG 4.28Š| ||
| 127 | R | 81.3 | Confident | 85.9 | Confident | 65 Ų | 65 | 77.4 Ų | 77.4 | 25% | 0.245 | 40% | 0.403 | C | S | . | . | trans | -119.8 | 111.6 | -175.8 | -81.3 | 174.8 | 166.2 | -97.6 | -3 | 111.3 | E96 E125 D129 I130 | E96-R127 IonicContact OE1-CZ 3.25Å; E96-R127 VanDerWaalsContact OE1-CZ 3.25Å; E96-R127 IonicContact OE1-NH1 3.76Å; E96-R127 PolarHBondContact OE1-NH1 3.28Å; E96-R127 IonicContact OE1-NH2 2.83Å; E96-R127 PolarHBondContact OE1-NH2 3.02Å; E96-R127 IonicContact OE2-NH1 3.81Å; E96-R127 PolarHBondContact OE2-NH1 3.16Å; E125-R127 PolarHBondContact O-N 3.11Å; E125-R127 VanDerWaalsContact O-N 3.1Å; R127-D129 PolarHBondContact O-N 2.99Å; R127-D129 VanDerWaalsContact O-N 3.1Å; R127-I130 HydrophobicContact CB-CD1 3.78Å; R127-I130 HydrophobicContact CB-CG1 3.93Å; R127-I130 WeakPolarHBondContact O-CB 3.4Å; R127-I130 PolarHBondContact O-N 2.86Å | ||
| 128 | P | 80.4 | Confident | 85.9 | Confident | 76 Ų | 76 | 74.1 Ų | 74.1 | 49% | 0.494 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.4 | -20.3 | -172.7 | 27.2 | -35.7 | 0 | 0 | 0 | 113.5 | I130 K132 | P128-I130 VanDerWaalsContact C-N 3.31Å; P128-K132 WeakPolarHBondContact O-CB 3.49Å; P128-K132 WeakPolarHBondContact O-CD 3.3Å; P128-K132 WeakPolarHBondContact O-CG 3.42Å; P128-K132 PolarHBondContact O-N 2.76Å |
| 129 | D | 83.6 | Confident | 85.8 | Confident | 35 Ų | 35 | 74.3 Ų | 74.3 | 19% | 0.187 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.9 | -31.8 | 175 | -57.6 | -85.6 | 0 | 0 | 0 | 112.7 | R100 R127 L133 | R100-D129 IonicContact CZ-OD1 2.73Å; R100-D129 IonicContact CZ-OD2 2.89Å; R100-D129 IonicContact NE-OD1 3.37Å; R100-D129 PolarHBondContact NE-OD1 3.05Å; R100-D129 IonicContact NE-OD2 3.36Å; R100-D129 IonicContact NH2-OD1 3.53Å; R100-D129 PolarHBondContact NH2-OD1 2.86Å; R100-D129 IonicContact NH2-OD2 3.03Å; R100-D129 PolarHBondContact NH2-OD2 3.43Å; R127-D129 PolarHBondContact O-N 2.99Å; R127-D129 VanDerWaalsContact O-N 3.1Å; D129-L133 WeakPolarHBondContact O-CB 3.07Å; D129-L133 PolarHBondContact O-N 3.47Å |
| 130 | I | 85.8 | Confident | 85.5 | Confident | 7 Ų | 7 | 75 Ų | 75 | 4% | 0.036 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.2 | -49.8 | 176.4 | -53.9 | 178.2 | 0 | 0 | 0 | 109.7 | F99 L103 L120 N122 R127 P128 K132 L133 H134 V137 | F99-I130 HydrophobicContact CE1-CG1 4.44Å; F99-I130 HydrophobicContact CZ-CD1 4.14Å; F99-I130 HydrophobicContact CZ-CG1 4.22Å; L103-I130 HydrophobicContact CD1-CG1 4.49Å; L103-I130 HydrophobicContact CD2-CB 4.47Å; L103-I130 HydrophobicContact CD2-CG1 3.91Å; L120-I130 HydrophobicContact CD2-CG2 3.36Å; N122-I130 HydrophobicContact CB-CD1 4.27Å; R127-I130 HydrophobicContact CB-CD1 3.78Å; R127-I130 HydrophobicContact CB-CG1 3.93Å; R127-I130 WeakPolarHBondContact O-CB 3.4Å; R127-I130 PolarHBondContact O-N 2.86Å; P128-I130 VanDerWaalsContact C-N 3.31Å; I130-K132 VanDerWaalsContact C-N 3.29Å; I130-K132 PolarHBondContact O-N 2.82Å; I130-L133 PolarHBondContact O-N 3.4Å; I130-H134 PolarHBondContact O-N 2.87Å; I130-H134 VanDerWaalsContact O-N 3.08Å; I130-V137 HydrophobicContact CG2-CG1 3.99Å; I130-V137 HydrophobicContact CG2-CG2 4.24Å |
| 131 | T | 83.8 | Confident | 84.7 | Confident | 74 Ų | 74 | 75.4 Ų | 75.4 | 45% | 0.454 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.1 | -29.9 | 179.1 | -26.4 | 0 | 0 | 0 | 0 | 112.9 | E139 | T131-E139 PolarHBondContact OG1-OE1 3.35Å |
| 132 | K | 84.3 | Confident | 83.8 | Confident | 163 Ų | 163 | 82.3 Ų | 82.3 | 71% | 0.709 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -70.6 | -33.1 | 173.8 | -77.2 | 167.8 | -172.9 | 172.2 | 0 | 113.3 | P128 I130 | P128-K132 WeakPolarHBondContact O-CB 3.49Å; P128-K132 WeakPolarHBondContact O-CD 3.3Å; P128-K132 WeakPolarHBondContact O-CG 3.42Å; P128-K132 PolarHBondContact O-N 2.76Å; I130-K132 VanDerWaalsContact C-N 3.29Å; I130-K132 PolarHBondContact O-N 2.82Å |
| 133 | L | 83.2 | Confident | 83.5 | Confident | 71 Ų | 71 | 85.9 Ų | 85.9 | 37% | 0.372 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -88.5 | -31.8 | -173.6 | -170.6 | 70.9 | 0 | 0 | 0 | 112.9 | L103 A107 D129 I130 | L103-L133 HydrophobicContact CB-CD2 4.42Å; L103-L133 HydrophobicContact CD2-CD2 4.11Å; L103-L133 HydrophobicContact CG-CD2 3.7Å; L103-L133 WeakPolarHBondContact O-CD2 3.4Å; A107-L133 HydrophobicContact CB-CD1 4.41Å; A107-L133 HydrophobicContact CB-CD2 3.51Å; A107-L133 HydrophobicContact CB-CG 3.79Å; D129-L133 WeakPolarHBondContact O-CB 3.07Å; D129-L133 PolarHBondContact O-N 3.47Å; I130-L133 PolarHBondContact O-N 3.4Å |
| 134 | H | 82.9 | Confident | 83.1 | Confident | 4 Ų | 4 | 84.8 Ų | 84.8 | 2% | 0.019 | 44% | 0.436 | C | S | . | . | trans | -117.4 | 129.2 | -176.1 | -61.5 | -86.8 | 0 | 0 | 0 | 111.5 | A107 Y118 L120 I130 K136 V137 | A107-H134 WeakPolarHBondContact CB-CE1 3.49Å; Y118-H134 AromaticContact CE2-ND1 3.48Å; Y118-H134 WeakPolarHBondContact CE2-ND1 3.45Å; Y118-H134 AromaticContact CZ-ND1 3.68Å; Y118-H134 PolarHBondContact OH-ND1 3.21Å; L120-H134 HydrophobicContact CD2-CB 4.38Å; I130-H134 PolarHBondContact O-N 2.87Å; I130-H134 VanDerWaalsContact O-N 3.08Å; H134-K136 VanDerWaalsContact C-N 3.26Å; H134-K136 PolarHBondContact O-N 3Å; H134-V137 HydrophobicContact CB-CG2 3.57Å; H134-V137 WeakPolarHBondContact O-CG2 3.48Å | ||
| 135 | A | 76.6 | Confident | 83.1 | Confident | 106 Ų | 106 | 86.6 Ų | 86.6 | 88% | 0.876 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -73.8 | -11.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 136 | K | 88.1 | Confident | 83 | Confident | 109 Ų | 109 | 83.4 Ų | 83.4 | 47% | 0.474 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -138 | 89.4 | -176.9 | -66.1 | 176.9 | -175.7 | 165.9 | 0 | 109.2 | G116 L119 L120 H134 | G116-K136 PolarHBondContact O-NZ 2.92Å; G116-K136 VanDerWaalsContact O-NZ 3.12Å; L119-K136 HydrophobicContact CD1-CB 3.84Å; L120-K136 PolarHBondContact N-O 2.84Å; H134-K136 VanDerWaalsContact C-N 3.26Å; H134-K136 PolarHBondContact O-N 3Å |
| 137 | V | 88.6 | Confident | 83.3 | Confident | 27 Ų | 27 | 79.4 Ų | 79.4 | 16% | 0.164 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136.4 | 177.2 | -167.1 | 0 | 0 | 0 | 0 | 109.3 | L120 N122 I130 H134 E139 | L120-V137 HydrophobicContact CB-CG1 4.42Å; L120-V137 HydrophobicContact CB-CG2 4.35Å; L120-V137 HydrophobicContact CD2-CG1 4.34Å; L120-V137 HydrophobicContact CD2-CG2 4.26Å; L120-V137 CarbonylContact O-C 3.58Å; L120-V137 WeakPolarHBondContact O-CA 3.37Å; N122-V137 HydrophobicContact CB-CG1 4.17Å; I130-V137 HydrophobicContact CG2-CG1 3.99Å; I130-V137 HydrophobicContact CG2-CG2 4.24Å; H134-V137 HydrophobicContact CB-CG2 3.57Å; H134-V137 WeakPolarHBondContact O-CG2 3.48Å; V137-E139 WeakPolarHBondContact CG1-OE1 3.23Å |
| 138 | L | 89.3 | Confident | 83.4 | Confident | 78 Ų | 78 | 80.3 Ų | 80.3 | 41% | 0.408 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.7 | 166.5 | -64.2 | 177.7 | 0 | 0 | 0 | 107.7 | L119 L120 F121 N122 F140 | L119-L138 HydrophobicContact CD1-CD1 4.36Å; L119-L138 HydrophobicContact CD1-CG 4.18Å; L119-L138 HydrophobicContact CD2-CD1 3.95Å; L119-L138 HydrophobicContact CG-CD1 4.39Å; L120-L138 PolarHBondContact O-N 3.23Å; F121-L138 CarbonylContact C-O 3.6Å; F121-L138 HydrophobicContact CD1-CD1 4.16Å; F121-L138 HydrophobicContact CE1-CD1 3.82Å; F121-L138 HydrophobicContact CZ-CD1 4.48Å; N122-L138 PolarHBondContact N-O 3.1Å; L138-F140 HydrophobicContact CB-CD2 4.46Å; L138-F140 HydrophobicContact CB-CE2 3.56Å; L138-F140 HydrophobicContact CB-CZ 4.03Å; L138-F140 HydrophobicContact CD1-CZ 4.44Å; L138-F140 WeakPolarHBondContact O-CD2 3.23Å |
| 139 | E | 89.3 | Confident | 83.6 | Confident | 52 Ų | 52 | 80.6 Ų | 80.6 | 24% | 0.243 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 128.5 | 178.4 | -55 | -71.8 | 149.2 | 0 | 0 | 109 | N122 Q126 T131 V137 | N122-E139 PolarHBondContact ND2-OE2 2.81Å; Q126-E139 HydrophobicContact CG-CG 4.28Å; T131-E139 PolarHBondContact OG1-OE1 3.35Å; V137-E139 WeakPolarHBondContact CG1-OE1 3.23Å |
| 140 | F | 85.6 | Confident | 83.6 | Confident | 99 Ų | 99 | 84.2 Ų | 84.2 | 43% | 0.434 | 43% | 0.434 | S | S | . | . | trans | -113.2 | -28.3 | 177.3 | -65.6 | -93.3 | 0 | 0 | 0 | 113.4 | F121 N122 L123 L138 | F121-F140 HydrophobicContact CB-CE2 4.07Å; F121-F140 AromaticContact CD1-CE2 3.61Å; F121-F140 HydrophobicContact CD1-CE2 3.61Å; F121-F140 AromaticContact CD1-CZ 3.86Å; F121-F140 HydrophobicContact CD1-CZ 3.86Å; F121-F140 HydrophobicContact CE1-CZ 4.47Å; F121-F140 HydrophobicContact CG-CE2 4.31Å; N122-F140 PolarHBondContact O-N 3.07Å; L123-F140 HydrophobicContact CD2-CB 4.21Å; L123-F140 HydrophobicContact CD2-CD2 3.9Å; L123-F140 HydrophobicContact CD2-CG 4.11Å; L138-F140 HydrophobicContact CB-CD2 4.46Å; L138-F140 HydrophobicContact CB-CE2 3.56Å; L138-F140 HydrophobicContact CB-CZ 4.03Å; L138-F140 HydrophobicContact CD1-CZ 4.44Å; L138-F140 WeakPolarHBondContact O-CD2 3.23Å | ||
| 141 | G | 76.7 | Confident | 83.4 | Confident | 46 Ų | 46 | 90.6 Ų | 90.6 | 47% | 0.474 | 47% | 0.467 | S | S | . | . | trans | 58.8 | 55.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S124 | S124-G141 WeakPolarHBondContact O-CA 3.36Å; S124-G141 PolarHBondContact O-N 3.49Å | ||
| 142 | W | 72.9 | Confident | 83.4 | Confident | 258 Ų | 258 | 92.1 Ų | 92.1 | 98% | 0.977 | 47% | 0.468 | S | S | * | . | trans | -84.4 | 0 | 176.4 | -71.4 | 38.6 | 0 | 0 | 0 | 112.1 | L123 | L123-W142 WeakPolarHBondContact O-CB 3.33Å; L123-W142 PolarHBondContact O-N 3.41Å; L123-W142 VanDerWaalsContact O-N 3.14Å |
Retrieved 142 of 142 residues in 31.3 ms
(Link to these results)