| 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 | 43.5 | Very low | 40.4 | Very low | 256 Ų | 256 | 154.2 Ų | 154.2 | 100% | 1.261 | 84% | 0.841 | S | S | * | * | 0 | 134.3 | 0 | -80.5 | -175.7 | -178.8 | 0 | 0 | 107.9 | |||||
| 2 | G | 36.9 | Very low | 40 | Very low | 74 Ų | 74 | 157.4 Ų | 157.4 | 76% | 0.763 | 84% | 0.841 | S | S | * | * | trans | 111.7 | 92.6 | -167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | A | 39.1 | Very low | 39.8 | Very low | 107 Ų | 107 | 154.3 Ų | 154.3 | 88% | 0.884 | 84% | 0.839 | S | S | * | * | 62.8 | 131.6 | 86.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 4 | A | 44.1 | Very low | 39.7 | Very low | 81 Ų | 81 | 151.4 Ų | 151.4 | 67% | 0.669 | 84% | 0.835 | S | S | * | * | cis | -158.9 | 146.8 | 30.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 5 | E | 41.1 | Very low | 39.3 | Very low | 176 Ų | 176 | 152.1 Ų | 152.1 | 82% | 0.822 | 84% | 0.838 | S | S | * | * | 77.3 | 121.5 | 112.9 | -83.7 | -178.1 | 114.9 | 0 | 0 | 118 | |||||
| 6 | S | 44.7 | Very low | 39 | Very low | 115 Ų | 115 | 151.1 Ų | 151.1 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | 176.9 | 98.8 | 103 | -162.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 7 | T | 42.6 | Very low | 38.7 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 66% | 0.663 | 83% | 0.831 | S | S | * | * | trans | 23.5 | 117.9 | 133.4 | -44.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 8 | R | 40 | Very low | 38.4 | Very low | 234 Ų | 234 | 149.1 Ų | 149.1 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | trans | 31.9 | 136.3 | 133.6 | -56.1 | 177.9 | -176 | -168.1 | 0.4 | 121.3 | ||||
| 9 | R | 38.4 | Very low | 38.1 | Very low | 253 Ų | 253 | 146.5 Ų | 146.5 | 96% | 0.955 | 82% | 0.824 | S | S | * | * | -170.8 | 156 | 111.8 | -122.6 | 174.8 | 174.6 | 170.7 | -2 | 114.3 | |||||
| 10 | T | 35.8 | Very low | 37.9 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -109.1 | 164.7 | -164.1 | -38.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 11 | Q | 38.1 | Very low | 37.7 | Very low | 170 Ų | 170 | 150.5 Ų | 150.5 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | 85.7 | 143 | 158.7 | -54.4 | -161.5 | -21.1 | 0 | 0 | 115.9 | ||||
| 12 | K | 36.1 | Very low | 37.1 | Very low | 193 Ų | 193 | 145.1 Ų | 145.1 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | cis | -170.2 | 147.2 | 48.6 | -149.1 | 175.9 | -174.4 | -177.5 | 0 | 112.1 | ||||
| 13 | S | 37.7 | Very low | 36.9 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -77.5 | 153 | 161.6 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 14 | S | 37.6 | Very low | 36.6 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -148 | 115.4 | 161.6 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 15 | N | 33.4 | Very low | 36 | Very low | 163 Ų | 163 | 151.2 Ų | 151.2 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -77 | 148.4 | 158.1 | -91.1 | -15.4 | 0 | 0 | 0 | 109.8 | ||||
| 16 | T | 34.9 | Very low | 35.3 | Very low | 136 Ų | 136 | 152.2 Ų | 152.2 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -143.4 | 129.6 | 157.4 | -37.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 17 | S | 33.4 | Very low | 34.7 | Very low | 104 Ų | 104 | 152.4 Ų | 152.4 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -114.5 | 154.8 | 170.7 | -60.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 18 | I | 33.3 | Very low | 34.3 | Very low | 161 Ų | 161 | 153.4 Ų | 153.4 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | 165.3 | 108.1 | 154.5 | -91.3 | 152.7 | 0 | 0 | 0 | 106.3 | ||||
| 19 | S | 33.2 | Very low | 34.1 | Very low | 101 Ų | 101 | 151.1 Ų | 151.1 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | 83.5 | 114.5 | 75.8 | -77.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 20 | Q | 33.7 | Very low | 33.8 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | 50.1 | 129 | 143.8 | -71 | 176.5 | -67.2 | 0 | 0 | 122.2 | ||||
| 21 | K | 33.3 | Very low | 33.7 | Very low | 208 Ų | 208 | 143.3 Ų | 143.3 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | -159.9 | 132.5 | 128.3 | -109.7 | 175 | -175 | -179 | 0 | 111.8 | |||||
| 22 | D | 31.1 | Very low | 33.5 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -68.3 | 149.6 | 176.5 | -54.7 | -70.4 | 0 | 0 | 0 | 113.3 | ||||
| 23 | S | 33.8 | Very low | 33.5 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -160.4 | 128 | 133.5 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 24 | N | 31.5 | Very low | 33.4 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -106.1 | 130 | -177.9 | -175.6 | 33.1 | 0 | 0 | 0 | 107 | ||||
| 25 | S | 32.3 | Very low | 33.4 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -164.6 | 120.3 | 141.8 | 75.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 26 | Y | 25.9 | Very low | 33.9 | Very low | 198 Ų | 198 | 145.4 Ų | 145.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -37.7 | 144.2 | 162.1 | -84.1 | -109.1 | 0 | 0 | 0 | 116.1 | ||||
| 27 | S | 32.9 | Very low | 34.2 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -153.4 | 106 | 135.6 | -80.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 28 | T | 33.2 | Very low | 34.5 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | 71.4 | 109.6 | 136.7 | -47.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 29 | M | 35.7 | Very low | 34.7 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -67.8 | 140.2 | 157.7 | -64.3 | -163.5 | -173 | 0 | 0 | 111.1 | ||||
| 30 | G | 33.6 | Very low | 35 | Very low | 79 Ų | 79 | 151.7 Ų | 151.7 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | -143 | 108.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 31 | D | 33.5 | Very low | 35.2 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -72.4 | 157.5 | -171.4 | -137.3 | -51.5 | 0 | 0 | 0 | 113.5 | ||||
| 32 | Q | 33.7 | Very low | 35.4 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | 71.2 | 117.2 | 148.3 | -120.6 | 130.1 | 62.6 | 0 | 0 | 120.4 | ||||
| 33 | K | 35.4 | Very low | 35.8 | Very low | 190 Ų | 190 | 146.6 Ų | 146.6 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | 173.2 | 120.2 | 80.5 | -148.6 | 161.9 | -172.3 | 167.6 | 0 | 110.1 | N35 | K33-N35 PolarHBondContact O-N 3.38Š| |||
| 34 | D | 36 | Very low | 35.8 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | trans | -56.3 | 126.2 | 167.9 | -58.7 | -67.4 | 0 | 0 | 0 | 110.1 | ||||
| 35 | N | 38.6 | Very low | 36.1 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | trans | -117.2 | 102 | 162.4 | -169.1 | -52.1 | 0 | 0 | 0 | 108 | K33 D37 | K33-N35 PolarHBondContact O-N 3.38Å; N35-D37 PolarHBondContact OD1-N 2.86Å; N35-D37 PolarHBondContact OD1-OD2 3.48Å | ||
| 36 | I | 42.7 | Very low | 36.2 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -94.9 | 86.9 | 174.3 | -161.3 | 154.6 | 0 | 0 | 0 | 107.2 | D38 | I36-D38 PolarHBondContact O-N 3.46Š| ||
| 37 | D | 40.6 | Very low | 36.8 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -93.5 | 99.8 | 173.2 | -89.1 | -38.4 | 0 | 0 | 0 | 110.2 | N35 | N35-D37 PolarHBondContact OD1-N 2.86Å; N35-D37 PolarHBondContact OD1-OD2 3.48Å | ||
| 38 | D | 39.7 | Very low | 37.3 | Very low | 126 Ų | 126 | 148 Ų | 148 | 67% | 0.674 | 78% | 0.784 | S | S | * | * | trans | 51.5 | 85.7 | 139.1 | -132.2 | -109 | 0 | 0 | 0 | 118.9 | I36 K40 | I36-D38 PolarHBondContact O-N 3.46Å; D38-K40 VanDerWaalsContact C-N 3.33Å; D38-K40 PolarHBondContact O-N 3.04Å | ||
| 39 | F | 38.1 | Very low | 37.5 | Very low | 202 Ų | 202 | 149.7 Ų | 149.7 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | trans | -75.7 | 79.3 | 164.2 | -143.2 | -92.5 | 0 | 0 | 0 | 110.3 | V41 | F39-V41 HydrophobicContact CD1-CG2 3.97Å; F39-V41 HydrophobicContact CE1-CG2 4.25Å; F39-V41 PolarHBondContact O-N 3.27Å | ||
| 40 | K | 39.3 | Very low | 37.5 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 73% | 0.726 | 77% | 0.774 | S | S | * | * | trans | -87.7 | 92.8 | 178.7 | -152.5 | 170.2 | -170.7 | 169.6 | 0 | 111.6 | D38 Q42 | D38-K40 VanDerWaalsContact C-N 3.33Å; D38-K40 PolarHBondContact O-N 3.04Å; K40-Q42 PolarHBondContact O-N 3.14Å; K40-Q42 VanDerWaalsContact O-N 3.14Å | ||
| 41 | V | 39.2 | Very low | 37.8 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 66% | 0.655 | 77% | 0.772 | S | S | * | * | trans | -69.8 | 102.2 | 169.2 | -177.1 | 0 | 0 | 0 | 0 | 109 | F39 T43 | F39-V41 HydrophobicContact CD1-CG2 3.97Å; F39-V41 HydrophobicContact CE1-CG2 4.25Å; F39-V41 PolarHBondContact O-N 3.27Å; V41-T43 PolarHBondContact O-N 3.28Å | ||
| 42 | Q | 36.3 | Very low | 37.9 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -77.1 | 103.2 | 169.5 | -81.7 | 175.4 | -26.3 | 0 | 0 | 109.8 | K40 A44 | K40-Q42 PolarHBondContact O-N 3.14Å; K40-Q42 VanDerWaalsContact O-N 3.14Å; Q42-A44 PolarHBondContact O-N 3.41Å; Q42-A44 VanDerWaalsContact O-N 3.16Å | ||
| 43 | T | 38.9 | Very low | 38.1 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | trans | -72.6 | 97.7 | 164.1 | 53.7 | 0 | 0 | 0 | 0 | 109.1 | V41 K45 | V41-T43 PolarHBondContact O-N 3.28Å; T43-K45 PolarHBondContact O-N 3.13Å | ||
| 44 | A | 34.3 | Very low | 38.2 | Very low | 86 Ų | 86 | 144.1 Ų | 144.1 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -76.2 | 114.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q42 | Q42-A44 PolarHBondContact O-N 3.41Å; Q42-A44 VanDerWaalsContact O-N 3.16Å | ||
| 45 | K | 38.9 | Very low | 38.4 | Very low | 200 Ų | 200 | 147.4 Ų | 147.4 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 134.8 | 165 | -82.7 | 171.2 | 171 | 174.1 | 0 | 109.8 | T43 P47 | T43-K45 PolarHBondContact O-N 3.13Å; K45-P47 VanDerWaalsContact O-CD 3.29Å; K45-P47 WeakPolarHBondContact O-CD 3.27Å |
| 46 | H | 33.5 | Very low | 38.2 | Very low | 190 Ų | 190 | 147.7 Ų | 147.7 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 124.7 | 167.4 | -65.7 | -80.4 | 0 | 0 | 0 | 110.8 | ||
| 47 | P | 39.5 | Very low | 37.9 | Very low | 122 Ų | 122 | 148.8 Ų | 148.8 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 118.4 | 149.8 | 30 | -21.7 | 0 | 0 | 0 | 109.6 | K45 M49 | K45-P47 VanDerWaalsContact O-CD 3.29Å; K45-P47 WeakPolarHBondContact O-CD 3.27Å; P47-M49 PolarHBondContact O-N 3.35Å |
| 48 | N | 43.1 | Very low | 37.7 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 117.5 | 157.9 | 171.9 | 20.8 | 0 | 0 | 0 | 108.3 | ||
| 49 | M | 36.7 | Very low | 37.6 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -161.5 | 135.9 | 141.8 | -86.6 | -42.5 | 161.6 | 0 | 0 | 111.7 | P47 | P47-M49 PolarHBondContact O-N 3.35Š| ||
| 50 | S | 36.2 | Very low | 37.5 | Very low | 99 Ų | 99 | 149 Ų | 149 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | -35.7 | 150.9 | 165.2 | 48.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 51 | A | 40 | Very low | 37.2 | Very low | 93 Ų | 93 | 146.3 Ų | 146.3 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | 77.4 | 102 | 145.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 52 | V | 35.8 | Very low | 37.3 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | trans | -134.6 | 123.8 | 149.5 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 53 | P | 38.4 | Very low | 37.2 | Very low | 125 Ų | 125 | 149.6 Ų | 149.6 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 139.3 | -175.3 | -23.5 | 34.7 | 0 | 0 | 0 | 115.5 | ||
| 54 | L | 37 | Very low | 37.4 | Very low | 174 Ų | 174 | 154.7 Ų | 154.7 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83 | 141.3 | 171.9 | -71.4 | 167.9 | 0 | 0 | 0 | 111.5 | ||
| 55 | R | 39 | Very low | 37.5 | Very low | 232 Ų | 232 | 156.9 Ų | 156.9 | 88% | 0.875 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 146.1 | 175.2 | -75.8 | 177.1 | 176.6 | 158.7 | -1.6 | 112.5 | ||
| 56 | P | 35.3 | Very low | 37.7 | Very low | 130 Ų | 130 | 152.7 Ų | 152.7 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73 | 135.4 | 174.4 | -5.6 | 21.8 | 0 | 0 | 0 | 111.5 | ||
| 57 | H | 36.2 | Very low | 38 | Very low | 186 Ų | 186 | 153.5 Ų | 153.5 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 125 | 171.8 | -91.4 | -89.9 | 0 | 0 | 0 | 110.8 | ||
| 58 | S | 36.5 | Very low | 38.2 | Very low | 106 Ų | 106 | 157.8 Ų | 157.8 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 124.7 | 163.2 | 53 | 0 | 0 | 0 | 0 | 110.1 | ||
| 59 | E | 37.5 | Very low | 38 | Very low | 182 Ų | 182 | 157.9 Ų | 157.9 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 128.5 | 168.1 | -72 | -164.5 | 116.3 | 0 | 0 | 110.9 | ||
| 60 | H | 35.3 | Very low | 37.8 | Very low | 184 Ų | 184 | 155 Ų | 155 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | trans | -146.5 | 117.9 | 149.2 | -89.8 | -52.1 | 0 | 0 | 0 | 111.6 | ||||
| 61 | S | 34.7 | Very low | 37.9 | Very low | 110 Ų | 110 | 156 Ų | 156 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | 49.3 | 100.6 | 146 | -120.8 | 0 | 0 | 0 | 0 | 118.9 | D63 | S61-D63 PolarHBondContact O-N 3.48Š| ||
| 62 | K | 40.9 | Very low | 37.6 | Very low | 196 Ų | 196 | 159.8 Ų | 159.8 | 85% | 0.852 | 82% | 0.82 | S | S | * | * | trans | -59.8 | 125 | 148.1 | -61.9 | 165.7 | -176.8 | 167.8 | 0 | 107.3 | ||||
| 63 | D | 33.2 | Very low | 38.1 | Very low | 155 Ų | 155 | 158.4 Ų | 158.4 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | trans | -170.5 | 129.1 | 138.2 | -94.7 | -40.6 | 0 | 0 | 0 | 113.2 | S61 | S61-D63 PolarHBondContact O-N 3.48Š| ||
| 64 | R | 44.1 | Very low | 38.3 | Very low | 237 Ų | 237 | 160.5 Ų | 160.5 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | trans | 78.8 | 80.2 | 146.3 | -141.1 | 173.2 | -170.5 | -176.5 | 2.5 | 119.3 | ||||
| 65 | T | 36 | Very low | 38.4 | Very low | 131 Ų | 131 | 155.3 Ų | 155.3 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -133.8 | 78.5 | 156.7 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 66 | S | 42 | Very low | 38.4 | Very low | 112 Ų | 112 | 150.8 Ų | 150.8 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -105.4 | 138.8 | 153.2 | -54.5 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 67 | K | 41.6 | Very low | 38.9 | Very low | 207 Ų | 207 | 149.6 Ų | 149.6 | 90% | 0.9 | 80% | 0.803 | S | S | * | * | cis | -148 | 149.3 | 22.7 | -75.8 | 175.4 | 168.3 | 174.7 | 0 | 107.8 | ||||
| 68 | R | 43.2 | Very low | 39.1 | Very low | 212 Ų | 212 | 148.7 Ų | 148.7 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -109.7 | 115.2 | 166 | -170 | -177.8 | 178.7 | -153.6 | 0.3 | 106.8 | ||||
| 69 | L | 38 | Very low | 39.3 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | trans | 39.2 | 110.6 | 146.2 | -156.9 | 67.3 | 0 | 0 | 0 | 119.5 | T71 | L69-T71 WeakPolarHBondContact CD1-OG1 3.42Š| ||
| 70 | S | 34 | Very low | 39.1 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -122.7 | 127.6 | 142.9 | -56.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 71 | T | 36.7 | Very low | 39.5 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 73% | 0.73 | 81% | 0.813 | S | S | * | * | trans | -118 | 97.4 | 170.9 | -35.4 | 0 | 0 | 0 | 0 | 105.6 | L69 | L69-T71 WeakPolarHBondContact CD1-OG1 3.42Š| ||
| 72 | E | 34.7 | Very low | 39.7 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | -133.4 | 121.7 | 169.7 | 53 | -164.4 | 93.3 | 0 | 0 | 107.8 | ||||
| 73 | S | 46 | Very low | 39.7 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -96.4 | 119.2 | 175.3 | -50.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 74 | N | 41.9 | Very low | 40.1 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -170.6 | 135.1 | 134.9 | -112.3 | 16.2 | 0 | 0 | 0 | 109.1 | ||||
| 75 | G | 40.4 | Very low | 39.8 | Very low | 66 Ų | 66 | 130.1 Ų | 130.1 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | trans | -73.7 | 161.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 76 | T | 38 | Very low | 40.2 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | 172.8 | 130.4 | 117.3 | 43.8 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 77 | S | 45.6 | Very low | 40.6 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | 54.9 | 127.1 | 148.8 | 66.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 78 | D | 40.4 | Very low | 41.2 | Very low | 166 Ų | 166 | 126.9 Ų | 126.9 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | 93.3 | 131.1 | 133.4 | -122.6 | -49.4 | 0 | 0 | 0 | 121.6 | ||||
| 79 | G | 41.6 | Very low | 42.4 | Very low | 73 Ų | 73 | 120.7 Ų | 120.7 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | 70.6 | 95.8 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 80 | G | 33.1 | Very low | 44.8 | Very low | 84 Ų | 84 | 117.3 Ų | 117.3 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | trans | -171.7 | 60.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 81 | M | 43.8 | Very low | 47.5 | Very low | 203 Ų | 203 | 114.5 Ų | 114.5 | 100% | 1 | 73% | 0.734 | S | S | * | * | trans | -65.8 | 125.1 | 174 | -175.3 | 81.2 | 101.6 | 0 | 0 | 111.4 | ||||
| 82 | G | 37.5 | Very low | 50.1 | Low | 70 Ų | 70 | 109.2 Ų | 109.2 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | trans | 161.4 | 92.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 83 | S | 41.9 | Very low | 52.8 | Low | 126 Ų | 126 | 102.6 Ų | 102.6 | 88% | 0.881 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 87.8 | 70.7 | 156.6 | -153.9 | 0 | 0 | 0 | 0 | 118.9 | ||
| 84 | S | 41.6 | Very low | 55.1 | Low | 106 Ų | 106 | 101.2 Ų | 101.2 | 74% | 0.741 | 65% | 0.652 | S | S | * | * | S | Bend | -177 | 128.5 | 121.2 | 50.1 | 0 | 0 | 0 | 0 | 106.3 | |||
| 85 | T | 38.3 | Very low | 57.6 | Low | 119 Ų | 119 | 93.2 Ų | 93.2 | 73% | 0.73 | 61% | 0.609 | S | S | * | * | trans | -28.4 | 121.6 | 173.3 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | V87 | T85-V87 PolarHBondContact O-N 3.27Š| ||
| 86 | P | 44.2 | Very low | 60.2 | Low | 115 Ų | 115 | 90.2 Ų | 90.2 | 75% | 0.747 | 58% | 0.577 | S | S | * | * | trans | -70.1 | 89.4 | 172.9 | 20.3 | -13.8 | 0 | 0 | 0 | 106.4 | E88 | P86-E88 PolarHBondContact O-N 2.91Š| ||
| 87 | V | 50.5 | Low | 62.9 | Low | 108 Ų | 108 | 88.3 Ų | 88.3 | 66% | 0.655 | 56% | 0.555 | S | S | * | * | trans | -65.2 | 99.8 | 154.3 | -178.4 | 0 | 0 | 0 | 0 | 102.8 | T85 I89 | T85-V87 PolarHBondContact O-N 3.27Å; V87-I89 PolarHBondContact O-N 3.4Å | ||
| 88 | E | 54.6 | Low | 65.2 | Low | 159 Ų | 159 | 87.6 Ų | 87.6 | 74% | 0.743 | 54% | 0.536 | S | S | * | . | trans | -40.7 | 103.3 | 171 | -72.4 | -78.5 | 143.3 | 0 | 0 | 107.8 | P86 T90 | P86-E88 PolarHBondContact O-N 2.91Å; E88-T90 PolarHBondContact O-N 2.62Å | ||
| 89 | I | 68 | Low | 67.9 | Low | 82 Ų | 82 | 79.7 Ų | 79.7 | 42% | 0.421 | 49% | 0.493 | S | S | . | . | trans | -70.5 | 105.2 | 176.5 | -62.9 | 159.5 | 0 | 0 | 0 | 104.2 | V87 E93 E94 | V87-I89 PolarHBondContact O-N 3.4Å; I89-E93 HydrophobicContact CG2-CB 3.89Å; I89-E93 HydrophobicContact CG2-CG 4.07Å; I89-E94 HydrophobicContact CG2-CB 4.18Å | ||
| 90 | T | 87.4 | Confident | 70.4 | Confident | 69 Ų | 69 | 76.3 Ų | 76.3 | 42% | 0.423 | 46% | 0.459 | S | S | . | . | trans | -55.4 | 150 | 178 | 62.7 | 0 | 0 | 0 | 0 | 110.1 | E88 L92 E93 E94 | E88-T90 PolarHBondContact O-N 2.62Å; T90-L92 PolarHBondContact O-N 2.7Å; T90-E93 WeakPolarHBondContact O-CA 3.33Å; T90-E93 PolarHBondContact O-N 2.93Å; T90-E93 WeakPolarHBondContact OG1-CB 3.43Å; T90-E93 PolarHBondContact OG1-N 2.79Å; T90-E93 VanDerWaalsContact OG1-N 3.16Å; T90-E94 PolarHBondContact O-N 3.09Å | ||
| 91 | A | 90.4 | Very high | 73.4 | Confident | 46 Ų | 46 | 76.2 Ų | 76.2 | 38% | 0.38 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -55.3 | -29 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S95 E186 | A91-S95 WeakPolarHBondContact O-CB 2.95Å; A91-S95 PolarHBondContact O-N 3.04Å; A91-S95 VanDerWaalsContact O-N 3.11Å; A91-S95 PolarHBondContact O-OG 3.31Å; A91-E186 HydrophobicContact CB-CB 4.09Å; A91-E186 HydrophobicContact CB-CG 4.01Å |
| 92 | L | 91.1 | Very high | 75.7 | Confident | 8 Ų | 8 | 68.9 Ų | 68.9 | 4% | 0.042 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.9 | -45.7 | 173.9 | -177.2 | 64.5 | 0 | 0 | 0 | 111.6 | T90 E94 S95 F96 F154 F157 L161 F182 I185 E186 | T90-L92 PolarHBondContact O-N 2.7Å; L92-E94 VanDerWaalsContact C-N 3.34Å; L92-S95 WeakPolarHBondContact O-CB 3.44Å; L92-S95 PolarHBondContact O-N 3.33Å; L92-F96 PolarHBondContact O-N 3.41Å; L92-F154 HydrophobicContact CG-CE2 4.39Å; L92-F157 HydrophobicContact CD1-CE1 4.07Å; L92-F157 HydrophobicContact CD1-CZ 4.41Å; L92-F157 HydrophobicContact CG-CE1 4.16Å; L92-L161 HydrophobicContact CD1-CD1 4.23Å; L92-F182 HydrophobicContact CD1-CD1 4.35Å; L92-F182 HydrophobicContact CD2-CB 4.34Å; L92-F182 HydrophobicContact CD2-CD1 3.71Å; L92-F182 HydrophobicContact CD2-CD2 4.15Å; L92-F182 HydrophobicContact CD2-CE1 3.98Å; L92-F182 HydrophobicContact CD2-CE2 4.41Å; L92-F182 HydrophobicContact CD2-CG 3.8Å; L92-F182 HydrophobicContact CD2-CZ 4.33Å; L92-I185 HydrophobicContact CD1-CB 3.9Å; L92-I185 HydrophobicContact CD1-CG2 3.72Å; L92-E186 HydrophobicContact CB-CG 3.92Å; L92-E186 HydrophobicContact CD1-CG 4.49Å |
| 93 | E | 92.6 | Very high | 78.2 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 15% | 0.154 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.2 | -36.3 | 176.4 | -169.3 | -178.3 | 165.1 | 0 | 0 | 111.8 | I89 T90 S95 F96 R97 F154 | I89-E93 HydrophobicContact CG2-CB 3.89Å; I89-E93 HydrophobicContact CG2-CG 4.07Å; T90-E93 WeakPolarHBondContact O-CA 3.33Å; T90-E93 PolarHBondContact O-N 2.93Å; T90-E93 WeakPolarHBondContact OG1-CB 3.43Å; T90-E93 PolarHBondContact OG1-N 2.79Å; T90-E93 VanDerWaalsContact OG1-N 3.16Å; E93-S95 VanDerWaalsContact C-N 3.32Å; E93-S95 PolarHBondContact O-N 3.42Å; E93-F96 WeakPolarHBondContact O-CB 3.45Å; E93-F96 PolarHBondContact O-N 3.03Å; E93-R97 WeakPolarHBondContact O-CG 3.34Å; E93-R97 PolarHBondContact O-N 3.38Å; E93-R97 IonicContact OE1-CZ 3.81Å; E93-R97 IonicContact OE1-NE 2.68Å; E93-R97 PolarHBondContact OE1-NE 2.68Å; E93-R97 IonicContact OE1-NH2 3.26Å; E93-R97 PolarHBondContact OE1-NH2 2.91Å; E93-F154 HydrophobicContact CB-CD2 4.34Å; E93-F154 HydrophobicContact CB-CE1 4.16Å; E93-F154 HydrophobicContact CB-CE2 3.75Å; E93-F154 HydrophobicContact CB-CZ 3.64Å; E93-F154 HydrophobicContact CG-CD1 4.31Å; E93-F154 HydrophobicContact CG-CD2 4.07Å; E93-F154 HydrophobicContact CG-CE1 4.23Å; E93-F154 HydrophobicContact CG-CE2 3.99Å; E93-F154 HydrophobicContact CG-CG 4.23Å; E93-F154 HydrophobicContact CG-CZ 4.07Å |
| 94 | E | 93.8 | Very high | 80.4 | Confident | 82 Ų | 82 | 66.4 Ų | 66.4 | 38% | 0.383 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 173.7 | -163.5 | -167.3 | 166.8 | 0 | 0 | 110.9 | I89 T90 L92 R97 R98 | I89-E94 HydrophobicContact CG2-CB 4.18Å; T90-E94 PolarHBondContact O-N 3.09Å; L92-E94 VanDerWaalsContact C-N 3.34Å; E94-R97 PolarHBondContact O-N 3.1Å; E94-R98 VanDerWaalsContact O-CG 3.29Å; E94-R98 WeakPolarHBondContact O-CG 3.37Å; E94-R98 PolarHBondContact O-N 3.39Å; E94-R98 IonicContact OE1-CZ 3.61Å; E94-R98 VanDerWaalsContact OE1-CZ 3.25Å; E94-R98 IonicContact OE1-NE 3.99Å; E94-R98 PolarHBondContact OE1-NE 2.94Å; E94-R98 VanDerWaalsContact OE1-NE 3.15Å; E94-R98 IonicContact OE1-NH2 3.25Å; E94-R98 PolarHBondContact OE1-NH2 3.44Å; E94-R98 IonicContact OE2-NH2 2.88Å |
| 95 | S | 94.4 | Very high | 82.6 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 175.9 | -53.7 | 0 | 0 | 0 | 0 | 110.3 | A91 L92 E93 R97 R98 F99 I185 G187 | A91-S95 WeakPolarHBondContact O-CB 2.95Å; A91-S95 PolarHBondContact O-N 3.04Å; A91-S95 VanDerWaalsContact O-N 3.11Å; A91-S95 PolarHBondContact O-OG 3.31Å; L92-S95 WeakPolarHBondContact O-CB 3.44Å; L92-S95 PolarHBondContact O-N 3.33Å; E93-S95 VanDerWaalsContact C-N 3.32Å; E93-S95 PolarHBondContact O-N 3.42Å; S95-R97 VanDerWaalsContact C-N 3.32Å; S95-R97 PolarHBondContact O-N 2.94Å; S95-R98 PolarHBondContact O-N 3.16Å; S95-F99 VanDerWaalsContact O-CD2 3.29Å; S95-F99 WeakPolarHBondContact O-CD2 3.29Å; S95-F99 PolarHBondContact O-N 3.07Å; S95-I185 WeakPolarHBondContact CB-O 3.22Å; S95-I185 PolarHBondContact OG-O 3.29Å; S95-G187 PolarHBondContact OG-N 2.88Å |
| 96 | F | 95.7 | Very high | 85 | Confident | 3 Ų | 3 | 73.6 Ų | 73.6 | 1% | 0.013 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -51.3 | -50 | 172.5 | 172.1 | -87.6 | 0 | 0 | 0 | 111.7 | L92 E93 R98 F99 A100 G109 K110 M112 F154 F157 | L92-F96 PolarHBondContact O-N 3.41Å; E93-F96 WeakPolarHBondContact O-CB 3.45Å; E93-F96 PolarHBondContact O-N 3.03Å; F96-R98 PolarHBondContact O-N 3.19Å; F96-F99 PolarHBondContact O-N 3.22Å; F96-A100 HydrophobicContact CE1-CB 4.26Å; F96-A100 VanDerWaalsContact O-CB 3.22Å; F96-A100 WeakPolarHBondContact O-CB 3.48Å; F96-A100 PolarHBondContact O-N 3.14Å; F96-G109 WeakPolarHBondContact CE1-O 3.35Å; F96-K110 WeakPolarHBondContact CE1-O 3.5Å; F96-M112 HydrophobicContact CB-CE 4.3Å; F96-M112 HydrophobicContact CD2-CE 3.12Å; F96-M112 HydrophobicContact CE2-CB 3.74Å; F96-M112 HydrophobicContact CE2-CE 3.42Å; F96-M112 VanDerWaalsContact CE2-CE 3.42Å; F96-M112 HydrophobicContact CG-CE 3.78Å; F96-M112 HydrophobicContact CZ-CB 3.91Å; F96-M112 HydrophobicContact CZ-CE 4.3Å; F96-F154 HydrophobicContact CB-CD2 3.95Å; F96-F154 HydrophobicContact CB-CE2 4.17Å; F96-F154 HydrophobicContact CD1-CB 4.42Å; F96-F154 HydrophobicContact CD1-CD2 4.07Å; F96-F154 AromaticContact CD2-CD2 3.99Å; F96-F154 HydrophobicContact CD2-CD2 3.99Å; F96-F154 HydrophobicContact CE1-CB 4.21Å; F96-F154 AromaticContact CG-CD2 3.74Å; F96-F154 HydrophobicContact CG-CD2 3.74Å; F96-F154 HydrophobicContact CG-CE2 4.45Å; F96-F154 HydrophobicContact CZ-CB 4.31Å; F96-F157 HydrophobicContact CB-CE1 4.25Å; F96-F157 HydrophobicContact CB-CZ 4.49Å; F96-F157 HydrophobicContact CD2-CB 3.86Å; F96-F157 AromaticContact CD2-CD1 3.69Å; F96-F157 HydrophobicContact CD2-CD1 3.69Å; F96-F157 AromaticContact CD2-CD2 3.74Å; F96-F157 HydrophobicContact CD2-CD2 3.74Å; F96-F157 HydrophobicContact CD2-CE1 4.08Å; F96-F157 HydrophobicContact CD2-CE2 4.13Å; F96-F157 AromaticContact CD2-CG 3.49Å; F96-F157 HydrophobicContact CD2-CG 3.49Å; F96-F157 VanDerWaalsContact CD2-CG 3.49Å; F96-F157 HydrophobicContact CD2-CZ 4.28Å; F96-F157 HydrophobicContact CE2-CB 3.68Å; F96-F157 HydrophobicContact CE2-CD1 4.39Å; F96-F157 HydrophobicContact CE2-CD2 4.13Å; F96-F157 AromaticContact CE2-CG 3.84Å; F96-F157 HydrophobicContact CE2-CG 3.84Å; F96-F157 HydrophobicContact CG-CD1 4.47Å |
| 97 | R | 94.9 | Very high | 87.2 | Confident | 96 Ų | 96 | 69.7 Ų | 69.7 | 36% | 0.362 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | -179.9 | -72.4 | 178.1 | -173.2 | -172.1 | 6.2 | 112.1 | E93 E94 S95 F99 A100 I101 G109 | E93-R97 WeakPolarHBondContact O-CG 3.34Å; E93-R97 PolarHBondContact O-N 3.38Å; E93-R97 IonicContact OE1-CZ 3.81Å; E93-R97 IonicContact OE1-NE 2.68Å; E93-R97 PolarHBondContact OE1-NE 2.68Å; E93-R97 IonicContact OE1-NH2 3.26Å; E93-R97 PolarHBondContact OE1-NH2 2.91Å; E94-R97 PolarHBondContact O-N 3.1Å; S95-R97 VanDerWaalsContact C-N 3.32Å; S95-R97 PolarHBondContact O-N 2.94Å; R97-F99 VanDerWaalsContact C-N 3.32Å; R97-F99 PolarHBondContact O-N 2.94Å; R97-A100 PolarHBondContact O-N 3.36Å; R97-I101 WeakPolarHBondContact O-CG1 3.47Å; R97-I101 PolarHBondContact O-N 3.04Å; R97-I101 VanDerWaalsContact O-N 3.12Å; R97-G109 WeakPolarHBondContact CG-O 3.46Å |
| 98 | R | 94.2 | Very high | 89 | Confident | 91 Ų | 91 | 69.8 Ų | 69.8 | 34% | 0.343 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 177 | -71.7 | 169.5 | 177.8 | -164.9 | 0.3 | 111.8 | E94 S95 F96 G187 P190 | E94-R98 VanDerWaalsContact O-CG 3.29Å; E94-R98 WeakPolarHBondContact O-CG 3.37Å; E94-R98 PolarHBondContact O-N 3.39Å; E94-R98 IonicContact OE1-CZ 3.61Å; E94-R98 VanDerWaalsContact OE1-CZ 3.25Å; E94-R98 IonicContact OE1-NE 3.99Å; E94-R98 PolarHBondContact OE1-NE 2.94Å; E94-R98 VanDerWaalsContact OE1-NE 3.15Å; E94-R98 IonicContact OE1-NH2 3.25Å; E94-R98 PolarHBondContact OE1-NH2 3.44Å; E94-R98 IonicContact OE2-NH2 2.88Å; S95-R98 PolarHBondContact O-N 3.16Å; F96-R98 PolarHBondContact O-N 3.19Å; R98-G187 PolarHBondContact NH1-O 2.81Å; R98-P190 WeakPolarHBondContact O-CG 3.25Å |
| 99 | F | 95.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -75.9 | -35.5 | 175.1 | -78.5 | -89.8 | 0 | 0 | 0 | 112.9 | S95 F96 R97 I101 H102 M112 N116 K119 L120 D123 K188 A189 P190 | S95-F99 VanDerWaalsContact O-CD2 3.29Å; S95-F99 WeakPolarHBondContact O-CD2 3.29Å; S95-F99 PolarHBondContact O-N 3.07Å; F96-F99 PolarHBondContact O-N 3.22Å; R97-F99 VanDerWaalsContact C-N 3.32Å; R97-F99 PolarHBondContact O-N 2.94Å; F99-I101 PolarHBondContact O-N 3.2Å; F99-H102 VanDerWaalsContact O-CB 3.24Å; F99-H102 WeakPolarHBondContact O-CB 3.4Å; F99-H102 PolarHBondContact O-N 2.83Å; F99-H102 VanDerWaalsContact O-N 3.16Å; F99-M112 HydrophobicContact CB-CE 4.18Å; F99-M112 HydrophobicContact CB-SD 4.26Å; F99-N116 WeakPolarHBondContact O-CB 3.4Å; F99-N116 VanDerWaalsContact O-CG 3.31Å; F99-N116 PolarHBondContact O-ND2 3.28Å; F99-K119 HydrophobicContact CD1-CG 4.48Å; F99-K119 HydrophobicContact CE1-CG 4.24Å; F99-L120 HydrophobicContact CB-CB 4.38Å; F99-L120 HydrophobicContact CB-CD1 3.97Å; F99-L120 HydrophobicContact CD1-CB 3.67Å; F99-L120 HydrophobicContact CD1-CD1 4.48Å; F99-L120 HydrophobicContact CD1-CG 4.3Å; F99-L120 HydrophobicContact CD2-CB 4.29Å; F99-L120 HydrophobicContact CD2-CD1 3.74Å; F99-L120 HydrophobicContact CD2-CG 4.02Å; F99-L120 VanDerWaalsContact CE1-CA 3.49Å; F99-L120 HydrophobicContact CE1-CB 3.95Å; F99-L120 HydrophobicContact CE1-CG 4.46Å; F99-L120 HydrophobicContact CE2-CD1 4.35Å; F99-L120 HydrophobicContact CE2-CG 4.19Å; F99-L120 HydrophobicContact CG-CB 3.87Å; F99-L120 HydrophobicContact CG-CD1 3.83Å; F99-L120 HydrophobicContact CG-CG 4.09Å; F99-L120 HydrophobicContact CZ-CB 4.38Å; F99-L120 HydrophobicContact CZ-CG 4.41Å; F99-D123 HydrophobicContact CE1-CB 4.03Å; F99-D123 HydrophobicContact CZ-CB 3.97Å; F99-K188 HydrophobicContact CE2-CB 4.36Å; F99-A189 VanDerWaalsContact CZ-C 3.43Å; F99-P190 HydrophobicContact CB-CG 4.41Å; F99-P190 HydrophobicContact CD1-CB 4.09Å; F99-P190 HydrophobicContact CD1-CG 3.64Å; F99-P190 HydrophobicContact CD2-CG 4.25Å; F99-P190 VanDerWaalsContact CE1-CA 3.49Å; F99-P190 HydrophobicContact CE1-CB 3.96Å; F99-P190 HydrophobicContact CE1-CG 3.89Å; F99-P190 HydrophobicContact CE2-CG 4.47Å; F99-P190 HydrophobicContact CG-CG 3.83Å; F99-P190 HydrophobicContact CZ-CG 4.3Å |
| 100 | A | 95.5 | Very high | 92 | Very high | 3 Ų | 3 | 66 Ų | 66 | 3% | 0.025 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F96 R97 H102 M112 N116 | F96-A100 HydrophobicContact CE1-CB 4.26Å; F96-A100 VanDerWaalsContact O-CB 3.22Å; F96-A100 WeakPolarHBondContact O-CB 3.48Å; F96-A100 PolarHBondContact O-N 3.14Å; R97-A100 PolarHBondContact O-N 3.36Å; A100-H102 VanDerWaalsContact C-N 3.28Å; A100-H102 PolarHBondContact O-N 2.79Å; A100-M112 HydrophobicContact CB-CB 4.15Å; A100-M112 HydrophobicContact CB-CG 4.43Å; A100-N116 PolarHBondContact O-ND2 3.49Å |
| 101 | I | 94.9 | Very high | 92.3 | Very high | 82 Ų | 82 | 66.1 Ų | 66.1 | 42% | 0.421 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -6.2 | 178.1 | 68.5 | 179.9 | 0 | 0 | 0 | 114 | R97 F99 G103 D104 A107 G109 | R97-I101 WeakPolarHBondContact O-CG1 3.47Å; R97-I101 PolarHBondContact O-N 3.04Å; R97-I101 VanDerWaalsContact O-N 3.12Å; F99-I101 PolarHBondContact O-N 3.2Å; I101-G103 PolarHBondContact O-N 2.96Å; I101-D104 PolarHBondContact O-N 2.84Å; I101-A107 HydrophobicContact CB-CB 4.49Å; I101-A107 HydrophobicContact CG2-CB 4.34Å; I101-G109 VanDerWaalsContact CG2-CA 3.48Å |
| 102 | H | 93.1 | Very high | 92.5 | Very high | 49 Ų | 49 | 64 Ų | 64 | 23% | 0.227 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 123.8 | -172.7 | -173.6 | 66.4 | 0 | 0 | 0 | 111.7 | F99 A100 D104 N116 K119 P190 | F99-H102 VanDerWaalsContact O-CB 3.24Å; F99-H102 WeakPolarHBondContact O-CB 3.4Å; F99-H102 PolarHBondContact O-N 2.83Å; F99-H102 VanDerWaalsContact O-N 3.16Å; A100-H102 VanDerWaalsContact C-N 3.28Å; A100-H102 PolarHBondContact O-N 2.79Å; H102-D104 PolarHBondContact O-N 3.22Å; H102-N116 PolarHBondContact O-ND2 3.03Å; H102-N116 PolarHBondContact O-OD1 3.39Å; H102-K119 WeakPolarHBondContact NE2-CE 3.45Å; H102-P190 HydrophobicContact CB-CB 4.21Å; H102-P190 HydrophobicContact CB-CG 3.78Å; H102-P190 WeakPolarHBondContact ND1-CB 3.41Å |
| 103 | G | 89.3 | Confident | 92.8 | Very high | 68 Ų | 68 | 67.4 Ų | 67.4 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I101 | I101-G103 PolarHBondContact O-N 2.96Š|
| 104 | D | 88.6 | Confident | 92.9 | Very high | 76 Ų | 76 | 66.3 Ų | 66.3 | 41% | 0.406 | 34% | 0.343 | S | S | . | . | trans | -132 | 101.2 | 172.8 | -172.6 | -11.5 | 0 | 0 | 0 | 110.3 | I101 H102 R106 A107 | I101-D104 PolarHBondContact O-N 2.84Å; H102-D104 PolarHBondContact O-N 3.22Å; D104-R106 PolarHBondContact O-N 2.87Å; D104-R106 VanDerWaalsContact O-N 3.09Å; D104-R106 WeakPolarHBondContact OD1-CB 3.44Å; D104-R106 PolarHBondContact OD1-N 3.2Å; D104-A107 HydrophobicContact CB-CB 3.9Å; D104-A107 WeakPolarHBondContact O-CB 3.33Å; D104-A107 PolarHBondContact O-N 3.31Å; D104-A107 VanDerWaalsContact O-N 3.13Å; D104-A107 PolarHBondContact OD1-N 3.31Å | ||
| 105 | T | 87.1 | Confident | 92.9 | Very high | 151 Ų | 151 | 68.3 Ų | 68.3 | 93% | 0.926 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -8.1 | -179 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 106 | R | 88.3 | Confident | 93 | Very high | 224 Ų | 224 | 68.8 Ų | 68.8 | 85% | 0.845 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -12.9 | 176.9 | -60.5 | 177.9 | 63 | -167.1 | -1.6 | 112.5 | D104 | D104-R106 PolarHBondContact O-N 2.87Å; D104-R106 VanDerWaalsContact O-N 3.09Å; D104-R106 WeakPolarHBondContact OD1-CB 3.44Å; D104-R106 PolarHBondContact OD1-N 3.2Å |
| 107 | A | 90.9 | Very high | 93 | Very high | 33 Ų | 33 | 68.7 Ų | 68.7 | 27% | 0.273 | 35% | 0.352 | S | S | . | . | trans | -66.7 | 139.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I101 D104 | I101-A107 HydrophobicContact CB-CB 4.49Å; I101-A107 HydrophobicContact CG2-CB 4.34Å; D104-A107 HydrophobicContact CB-CB 3.9Å; D104-A107 WeakPolarHBondContact O-CB 3.33Å; D104-A107 PolarHBondContact O-N 3.31Å; D104-A107 VanDerWaalsContact O-N 3.13Å; D104-A107 PolarHBondContact OD1-N 3.31Å | ||
| 108 | T | 89.2 | Confident | 93.1 | Very high | 110 Ų | 110 | 64.7 Ų | 64.7 | 68% | 0.675 | 34% | 0.339 | S | S | * | . | trans | -88.8 | -9.2 | -178.5 | 56.6 | 0 | 0 | 0 | 0 | 113 | K110 | T108-K110 VanDerWaalsContact C-N 3.28Å; T108-K110 PolarHBondContact O-N 3.24Å | ||
| 109 | G | 90.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 62.5 Ų | 62.5 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 79.9 | 4.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | F96 R97 I101 | F96-G109 WeakPolarHBondContact CE1-O 3.35Å; R97-G109 WeakPolarHBondContact CG-O 3.46Å; I101-G109 VanDerWaalsContact CG2-CA 3.48Å |
| 110 | K | 93.1 | Very high | 93.1 | Very high | 158 Ų | 158 | 62.5 Ų | 62.5 | 69% | 0.687 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -75.1 | -37 | 177.4 | -66.4 | -173.8 | 178.1 | -172 | 0 | 113.1 | F96 T108 | F96-K110 WeakPolarHBondContact CE1-O 3.5Å; T108-K110 VanDerWaalsContact C-N 3.28Å; T108-K110 PolarHBondContact O-N 3.24Å |
| 111 | D | 94.4 | Very high | 93.1 | Very high | 72 Ų | 72 | 62.4 Ų | 62.4 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 147.3 | -177.9 | -49.8 | -38.7 | 0 | 0 | 0 | 110.5 | T151 I152 | D111-T151 HydrophobicContact CB-CG2 4.45Å; D111-I152 CarbonylContact C-O 3.52Å; D111-I152 VanDerWaalsContact CA-O 3.26Å; D111-I152 WeakPolarHBondContact CA-O 3.42Å |
| 112 | M | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.6 | -179.1 | -170.5 | 180 | -40.3 | 0 | 0 | 111.5 | F96 F99 A100 N116 W117 L120 T151 I152 F157 | F96-M112 HydrophobicContact CB-CE 4.3Å; F96-M112 HydrophobicContact CD2-CE 3.12Å; F96-M112 HydrophobicContact CE2-CB 3.74Å; F96-M112 HydrophobicContact CE2-CE 3.42Å; F96-M112 VanDerWaalsContact CE2-CE 3.42Å; F96-M112 HydrophobicContact CG-CE 3.78Å; F96-M112 HydrophobicContact CZ-CB 3.91Å; F96-M112 HydrophobicContact CZ-CE 4.3Å; F99-M112 HydrophobicContact CB-CE 4.18Å; F99-M112 HydrophobicContact CB-SD 4.26Å; A100-M112 HydrophobicContact CB-CB 4.15Å; A100-M112 HydrophobicContact CB-CG 4.43Å; M112-N116 HydrophobicContact CG-CB 3.72Å; M112-N116 HydrophobicContact SD-CB 4.19Å; M112-W117 VanDerWaalsContact SD-CA 3.58Å; M112-W117 HydrophobicContact SD-CB 4.04Å; M112-W117 PolarHBondContact SD-N 3.22Å; M112-W117 VanDerWaalsContact SD-N 3.44Å; M112-L120 HydrophobicContact CE-CD1 3.91Å; M112-L120 HydrophobicContact SD-CD1 4.31Å; M112-T151 CarbonylContact O-C 3.5Å; M112-T151 WeakPolarHBondContact O-CA 3.28Å; M112-T151 WeakPolarHBondContact O-CB 3.43Å; M112-I152 HydrophobicContact CB-CG1 4.26Å; M112-I152 PolarHBondContact N-O 3.42Å; M112-I152 PolarHBondContact O-N 3.16Å; M112-F157 HydrophobicContact CE-CD2 4.14Å; M112-F157 HydrophobicContact CE-CE2 4.08Å |
| 113 | H | 95.8 | Very high | 93.1 | Very high | 80 Ų | 80 | 63.8 Ų | 63.8 | 37% | 0.37 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 150.3 | 174.1 | -159.8 | -58.6 | 0 | 0 | 0 | 111.6 | K115 N116 W117 T151 | H113-K115 VanDerWaalsContact C-N 3.3Å; H113-K115 HydrophobicContact CB-CG 4.25Å; H113-K115 PolarHBondContact O-N 3.44Å; H113-N116 WeakPolarHBondContact O-CA 3.33Å; H113-N116 WeakPolarHBondContact O-CB 3.31Å; H113-N116 PolarHBondContact O-N 3.05Å; H113-W117 PolarHBondContact O-N 3.15Å; H113-T151 HydrophobicContact CB-CG2 4.33Å |
| 114 | G | 95.1 | Very high | 93.3 | Very high | 11 Ų | 11 | 60.9 Ų | 60.9 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -49 | -43.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | N116 W117 S118 F141 | G114-N116 VanDerWaalsContact C-N 3.26Å; G114-N116 PolarHBondContact O-N 3.49Å; G114-W117 WeakPolarHBondContact O-CB 3.35Å; G114-W117 PolarHBondContact O-N 3Å; G114-S118 PolarHBondContact O-N 3.06Å; G114-S118 PolarHBondContact O-OG 3.24Å; G114-F141 VanDerWaalsContact CA-CE2 3.46Å |
| 115 | K | 94.7 | Very high | 93.4 | Very high | 124 Ų | 124 | 59 Ų | 59 | 54% | 0.539 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58 | -36.5 | 175 | 66.7 | 173.1 | -170.8 | 178.2 | 0 | 113.5 | H113 K119 | H113-K115 VanDerWaalsContact C-N 3.3Å; H113-K115 HydrophobicContact CB-CG 4.25Å; H113-K115 PolarHBondContact O-N 3.44Å; K115-K119 WeakPolarHBondContact O-CB 3.44Å; K115-K119 PolarHBondContact O-N 3.2Å; K115-K119 VanDerWaalsContact O-N 3.11Å |
| 116 | N | 96 | Very high | 93.6 | Very high | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.053 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -79.4 | -33.9 | -179.3 | -70.6 | -1 | 0 | 0 | 0 | 110.4 | F99 A100 H102 M112 H113 G114 K119 L120 | F99-N116 WeakPolarHBondContact O-CB 3.4Å; F99-N116 VanDerWaalsContact O-CG 3.31Å; F99-N116 PolarHBondContact O-ND2 3.28Å; A100-N116 PolarHBondContact O-ND2 3.49Å; H102-N116 PolarHBondContact O-ND2 3.03Å; H102-N116 PolarHBondContact O-OD1 3.39Å; M112-N116 HydrophobicContact CG-CB 3.72Å; M112-N116 HydrophobicContact SD-CB 4.19Å; H113-N116 WeakPolarHBondContact O-CA 3.33Å; H113-N116 WeakPolarHBondContact O-CB 3.31Å; H113-N116 PolarHBondContact O-N 3.05Å; G114-N116 VanDerWaalsContact C-N 3.26Å; G114-N116 PolarHBondContact O-N 3.49Å; N116-K119 WeakPolarHBondContact O-CB 3.31Å; N116-K119 PolarHBondContact O-N 2.85Å; N116-L120 WeakPolarHBondContact O-CB 3.37Å; N116-L120 PolarHBondContact O-N 2.88Å |
| 117 | W | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.3 | -52 | 169.8 | 163.8 | -106.7 | 0 | 0 | 0 | 111.7 | M112 H113 G114 K119 L120 C121 V137 V140 F141 I152 F157 A160 L161 L164 | M112-W117 VanDerWaalsContact SD-CA 3.58Å; M112-W117 HydrophobicContact SD-CB 4.04Å; M112-W117 PolarHBondContact SD-N 3.22Å; M112-W117 VanDerWaalsContact SD-N 3.44Å; H113-W117 PolarHBondContact O-N 3.15Å; G114-W117 WeakPolarHBondContact O-CB 3.35Å; G114-W117 PolarHBondContact O-N 3Å; W117-K119 PolarHBondContact O-N 3.11Å; W117-L120 WeakPolarHBondContact O-CB 3.27Å; W117-L120 PolarHBondContact O-N 3.12Å; W117-C121 PolarHBondContact O-N 3.34Å; W117-C121 PolarHBondContact O-SG 3.44Å; W117-V137 HydrophobicContact CG-CG1 4.47Å; W117-V137 PolarHBondContact NE1-O 3.35Å; W117-V140 HydrophobicContact CZ2-CG1 4.36Å; W117-F141 HydrophobicContact CB-CD2 3.86Å; W117-F141 HydrophobicContact CB-CE2 4.11Å; W117-F141 AromaticContact CD1-CD2 3.55Å; W117-F141 AromaticContact CD1-CG 3.92Å; W117-F141 HydrophobicContact CD2-CD2 4.49Å; W117-F141 AromaticContact CG-CD2 3.69Å; W117-F141 HydrophobicContact CG-CD2 3.69Å; W117-F141 HydrophobicContact CG-CE2 4.42Å; W117-F141 HydrophobicContact CG-CG 4.49Å; W117-I152 HydrophobicContact CE3-CD1 4.42Å; W117-F157 AromaticContact CE3-CD2 3.67Å; W117-F157 HydrophobicContact CE3-CD2 3.67Å; W117-F157 AromaticContact CE3-CE2 3.74Å; W117-F157 HydrophobicContact CE3-CE2 3.74Å; W117-F157 AromaticContact CZ3-CD2 3.44Å; W117-F157 HydrophobicContact CZ3-CD2 3.44Å; W117-F157 VanDerWaalsContact CZ3-CD2 3.44Å; W117-F157 AromaticContact CZ3-CE2 3.43Å; W117-F157 HydrophobicContact CZ3-CE2 3.43Å; W117-F157 VanDerWaalsContact CZ3-CE2 3.43Å; W117-A160 HydrophobicContact CH2-CB 3.51Å; W117-A160 HydrophobicContact CZ2-CB 3.76Å; W117-A160 HydrophobicContact CZ3-CB 4.2Å; W117-L161 HydrophobicContact CH2-CD2 3.68Å; W117-L161 HydrophobicContact CH2-CG 4.21Å; W117-L161 HydrophobicContact CZ3-CD2 3.73Å; W117-L161 HydrophobicContact CZ3-CG 4.2Å; W117-L164 HydrophobicContact CH2-CD1 3.7Å; W117-L164 HydrophobicContact CZ2-CD1 3.44Å; W117-L164 VanDerWaalsContact CZ2-CD1 3.44Å; W117-L164 HydrophobicContact CZ2-CG 4.29Å |
| 118 | S | 95.6 | Very high | 93.6 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.9 | -29.3 | 177.9 | -42.3 | 0 | 0 | 0 | 0 | 111.6 | G114 K122 D138 | G114-S118 PolarHBondContact O-N 3.06Å; G114-S118 PolarHBondContact O-OG 3.24Å; S118-K122 VanDerWaalsContact O-CG 3.27Å; S118-K122 WeakPolarHBondContact O-CG 3.4Å; S118-K122 PolarHBondContact O-N 3.25Å; S118-D138 PolarHBondContact OG-OD1 3.39Å |
| 119 | K | 95.1 | Very high | 93.3 | Very high | 45 Ų | 45 | 41.7 Ų | 41.7 | 20% | 0.196 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.2 | -45.9 | 171.2 | -177.6 | 169.1 | 178.7 | 48.2 | 0 | 112.5 | F99 H102 K115 N116 W117 C121 K122 D123 V191 | F99-K119 HydrophobicContact CD1-CG 4.48Å; F99-K119 HydrophobicContact CE1-CG 4.24Å; H102-K119 WeakPolarHBondContact NE2-CE 3.45Å; K115-K119 WeakPolarHBondContact O-CB 3.44Å; K115-K119 PolarHBondContact O-N 3.2Å; K115-K119 VanDerWaalsContact O-N 3.11Å; N116-K119 WeakPolarHBondContact O-CB 3.31Å; N116-K119 PolarHBondContact O-N 2.85Å; W117-K119 PolarHBondContact O-N 3.11Å; K119-C121 VanDerWaalsContact C-N 3.33Å; K119-C121 PolarHBondContact O-N 3.18Å; K119-K122 PolarHBondContact O-N 3.18Å; K119-D123 WeakPolarHBondContact CE-OD2 3.45Å; K119-D123 WeakPolarHBondContact CG-OD2 3.46Å; K119-D123 IonicContact NZ-OD1 3.15Å; K119-D123 PolarHBondContact NZ-OD1 3.32Å; K119-D123 IonicContact NZ-OD2 3.82Å; K119-D123 PolarHBondContact NZ-OD2 3.19Å; K119-D123 WeakPolarHBondContact O-CB 3.4Å; K119-D123 VanDerWaalsContact O-CG 3.3Å; K119-D123 PolarHBondContact O-N 3.01Å; K119-V191 PolarHBondContact NZ-O 2.9Å |
| 120 | L | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.5 | -46.4 | 176.1 | -178 | 156.3 | 0 | 0 | 0 | 111 | F99 M112 N116 W117 K122 D123 C124 F157 I185 | F99-L120 HydrophobicContact CB-CB 4.38Å; F99-L120 HydrophobicContact CB-CD1 3.97Å; F99-L120 HydrophobicContact CD1-CB 3.67Å; F99-L120 HydrophobicContact CD1-CD1 4.48Å; F99-L120 HydrophobicContact CD1-CG 4.3Å; F99-L120 HydrophobicContact CD2-CB 4.29Å; F99-L120 HydrophobicContact CD2-CD1 3.74Å; F99-L120 HydrophobicContact CD2-CG 4.02Å; F99-L120 VanDerWaalsContact CE1-CA 3.49Å; F99-L120 HydrophobicContact CE1-CB 3.95Å; F99-L120 HydrophobicContact CE1-CG 4.46Å; F99-L120 HydrophobicContact CE2-CD1 4.35Å; F99-L120 HydrophobicContact CE2-CG 4.19Å; F99-L120 HydrophobicContact CG-CB 3.87Å; F99-L120 HydrophobicContact CG-CD1 3.83Å; F99-L120 HydrophobicContact CG-CG 4.09Å; F99-L120 HydrophobicContact CZ-CB 4.38Å; F99-L120 HydrophobicContact CZ-CG 4.41Å; M112-L120 HydrophobicContact CE-CD1 3.91Å; M112-L120 HydrophobicContact SD-CD1 4.31Å; N116-L120 WeakPolarHBondContact O-CB 3.37Å; N116-L120 PolarHBondContact O-N 2.88Å; W117-L120 WeakPolarHBondContact O-CB 3.27Å; W117-L120 PolarHBondContact O-N 3.12Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 PolarHBondContact O-N 3.3Å; L120-D123 PolarHBondContact O-N 3.43Å; L120-C124 VanDerWaalsContact O-CB 3.25Å; L120-C124 WeakPolarHBondContact O-CB 3.44Å; L120-C124 PolarHBondContact O-N 3.08Å; L120-C124 PolarHBondContact O-SG 3.21Å; L120-C124 VanDerWaalsContact O-SG 3.33Å; L120-F157 HydrophobicContact CD1-CE2 3.73Å; L120-F157 HydrophobicContact CD1-CZ 3.93Å; L120-F157 HydrophobicContact CD2-CE2 4.15Å; L120-F157 HydrophobicContact CD2-CZ 4.4Å; L120-I185 HydrophobicContact CD1-CG2 4.19Å; L120-I185 HydrophobicContact CD2-CD1 3.82Å; L120-I185 HydrophobicContact CD2-CG1 3.95Å; L120-I185 HydrophobicContact CD2-CG2 4.1Å; L120-I185 HydrophobicContact CG-CG2 4.33Å |
| 121 | C | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -30.7 | 179.2 | -63.5 | 0 | 0 | 0 | 0 | 113.2 | W117 K119 V126 I127 V137 | W117-C121 PolarHBondContact O-N 3.34Å; W117-C121 PolarHBondContact O-SG 3.44Å; K119-C121 VanDerWaalsContact C-N 3.33Å; K119-C121 PolarHBondContact O-N 3.18Å; C121-V126 HydrophobicContact CB-CB 4.05Å; C121-V126 WeakPolarHBondContact O-CB 3.14Å; C121-V126 PolarHBondContact O-N 3.34Å; C121-I127 HydrophobicContact CB-CD1 4.2Å; C121-I127 HydrophobicContact CB-CG1 4.04Å; C121-I127 PolarHBondContact O-N 2.9Å; C121-V137 HydrophobicContact CB-CG1 3.92Å; C121-V137 HydrophobicContact CB-CG2 3.95Å |
| 122 | K | 93.8 | Very high | 92.7 | Very high | 112 Ų | 112 | 41.9 Ų | 41.9 | 49% | 0.487 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -74.8 | -54.3 | 173.7 | -72.5 | 172.8 | -172.4 | -178.4 | 0 | 111.7 | S118 K119 L120 C124 G125 I127 L134 | S118-K122 VanDerWaalsContact O-CG 3.27Å; S118-K122 WeakPolarHBondContact O-CG 3.4Å; S118-K122 PolarHBondContact O-N 3.25Å; K119-K122 PolarHBondContact O-N 3.18Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 PolarHBondContact O-N 3.3Å; K122-C124 VanDerWaalsContact C-N 3.3Å; K122-C124 PolarHBondContact O-N 3.07Å; K122-G125 PolarHBondContact O-N 2.97Å; K122-G125 VanDerWaalsContact O-N 3.13Å; K122-I127 HydrophobicContact CG-CD1 3.63Å; K122-L134 VanDerWaalsContact CE-CD1 3.43Å |
| 123 | D | 94 | Very high | 92.7 | Very high | 48 Ų | 48 | 44.5 Ų | 44.5 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.6 | -32.9 | -173.4 | -69.3 | 2.5 | 0 | 0 | 0 | 112 | F99 K119 L120 V191 | F99-D123 HydrophobicContact CE1-CB 4.03Å; F99-D123 HydrophobicContact CZ-CB 3.97Å; K119-D123 WeakPolarHBondContact CE-OD2 3.45Å; K119-D123 WeakPolarHBondContact CG-OD2 3.46Å; K119-D123 IonicContact NZ-OD1 3.15Å; K119-D123 PolarHBondContact NZ-OD1 3.32Å; K119-D123 IonicContact NZ-OD2 3.82Å; K119-D123 PolarHBondContact NZ-OD2 3.19Å; K119-D123 WeakPolarHBondContact O-CB 3.4Å; K119-D123 VanDerWaalsContact O-CG 3.3Å; K119-D123 PolarHBondContact O-N 3.01Å; L120-D123 PolarHBondContact O-N 3.43Å; D123-V191 HydrophobicContact CB-CG2 4.09Å; D123-V191 PolarHBondContact OD2-N 3.15Å |
| 124 | C | 93.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 1.7 | 178 | -56.7 | 0 | 0 | 0 | 0 | 113.4 | L120 K122 V126 I185 | L120-C124 VanDerWaalsContact O-CB 3.25Å; L120-C124 WeakPolarHBondContact O-CB 3.44Å; L120-C124 PolarHBondContact O-N 3.08Å; L120-C124 PolarHBondContact O-SG 3.21Å; L120-C124 VanDerWaalsContact O-SG 3.33Å; K122-C124 VanDerWaalsContact C-N 3.3Å; K122-C124 PolarHBondContact O-N 3.07Å; C124-V126 VanDerWaalsContact C-N 3.28Å; C124-V126 HydrophobicContact CB-CG2 4.22Å; C124-V126 PolarHBondContact O-N 2.79Å; C124-I185 HydrophobicContact CB-CG1 3.8Å |
| 125 | G | 90.5 | Very high | 92.6 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 38% | 0.381 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 28.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | K122 I127 K168 | K122-G125 PolarHBondContact O-N 2.97Å; K122-G125 VanDerWaalsContact O-N 3.13Å; G125-I127 VanDerWaalsContact C-N 3.33Å; G125-K168 PolarHBondContact O-NZ 3.41Å |
| 126 | V | 92.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -67.1 | -41.5 | 173.2 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | C121 C124 D128 L164 K168 V181 I185 | C121-V126 HydrophobicContact CB-CB 4.05Å; C121-V126 WeakPolarHBondContact O-CB 3.14Å; C121-V126 PolarHBondContact O-N 3.34Å; C124-V126 VanDerWaalsContact C-N 3.28Å; C124-V126 HydrophobicContact CB-CG2 4.22Å; C124-V126 PolarHBondContact O-N 2.79Å; V126-D128 PolarHBondContact O-N 3.44Å; V126-L164 HydrophobicContact CG1-CB 4.31Å; V126-L164 HydrophobicContact CG1-CD1 3.83Å; V126-K168 PolarHBondContact O-NZ 2.99Å; V126-K168 VanDerWaalsContact O-NZ 3.08Å; V126-V181 HydrophobicContact CG1-CG1 4.42Å; V126-V181 HydrophobicContact CG2-CG1 4.35Å; V126-I185 HydrophobicContact CG2-CD1 4.1Å; V126-I185 HydrophobicContact CG2-CG1 4.15Å | ||
| 127 | I | 92.8 | Very high | 92.6 | Very high | 40 Ų | 40 | 42.3 Ų | 42.3 | 21% | 0.205 | 24% | 0.24 | C | C | . | . | trans | -70.8 | 113.2 | 172.9 | -60.5 | 176.8 | 0 | 0 | 0 | 108.8 | C121 K122 G125 V132 L134 V137 | C121-I127 HydrophobicContact CB-CD1 4.2Å; C121-I127 HydrophobicContact CB-CG1 4.04Å; C121-I127 PolarHBondContact O-N 2.9Å; K122-I127 HydrophobicContact CG-CD1 3.63Å; G125-I127 VanDerWaalsContact C-N 3.33Å; I127-V132 HydrophobicContact CG1-CG1 4.41Å; I127-V132 VanDerWaalsContact CG2-O 3.31Å; I127-V132 WeakPolarHBondContact CG2-O 3.42Å; I127-L134 HydrophobicContact CD1-CD1 4.21Å; I127-V137 HydrophobicContact CD1-CG2 4.01Å; I127-V137 HydrophobicContact CG1-CG2 3.81Å | ||
| 128 | D | 85.9 | Confident | 92.6 | Very high | 50 Ų | 50 | 45.6 Ų | 45.6 | 27% | 0.267 | 26% | 0.258 | S | S | . | . | trans | -93.2 | -5.8 | -179.3 | 68 | -8.4 | 0 | 0 | 0 | 112.9 | V126 K130 N131 V132 | V126-D128 PolarHBondContact O-N 3.44Å; D128-K130 PolarHBondContact O-N 2.85Å; D128-K130 PolarHBondContact OD1-N 2.98Å; D128-N131 PolarHBondContact OD1-N 3.25Å; D128-N131 WeakPolarHBondContact OD2-CB 3.47Å; D128-N131 PolarHBondContact OD2-N 3.2Å; D128-N131 PolarHBondContact OD2-ND2 3.44Å; D128-V132 PolarHBondContact OD1-N 2.92Å | ||
| 129 | G | 83.2 | Confident | 92.6 | Very high | 64 Ų | 64 | 49.6 Ų | 49.6 | 66% | 0.66 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 68 | 8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 130 | K | 85.6 | Confident | 92.7 | Very high | 179 Ų | 179 | 48 Ų | 48 | 78% | 0.778 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -124.6 | -63.9 | -176.1 | -62.9 | 179.7 | -176.4 | -177.4 | 0 | 110.9 | D128 | D128-K130 PolarHBondContact O-N 2.85Å; D128-K130 PolarHBondContact OD1-N 2.98Å |
| 131 | N | 87.4 | Confident | 92.7 | Very high | 60 Ų | 60 | 48.8 Ų | 48.8 | 32% | 0.321 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -100.7 | -34.6 | -177.4 | -58.6 | -68.9 | 0 | 0 | 0 | 112.5 | D128 K167 | D128-N131 PolarHBondContact OD1-N 3.25Å; D128-N131 WeakPolarHBondContact OD2-CB 3.47Å; D128-N131 PolarHBondContact OD2-N 3.2Å; D128-N131 PolarHBondContact OD2-ND2 3.44Å; N131-K167 WeakPolarHBondContact CB-O 3.26Å; N131-K167 WeakPolarHBondContact O-CE 3.46Å |
| 132 | V | 92.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -112.1 | 110.9 | 179 | 177.8 | 0 | 0 | 0 | 0 | 108.3 | I127 D128 V137 L164 K167 K168 | I127-V132 HydrophobicContact CG1-CG1 4.41Å; I127-V132 VanDerWaalsContact CG2-O 3.31Å; I127-V132 WeakPolarHBondContact CG2-O 3.42Å; D128-V132 PolarHBondContact OD1-N 2.92Å; V132-V137 HydrophobicContact CG1-CG2 4Å; V132-L164 HydrophobicContact CG1-CD2 3.9Å; V132-K167 HydrophobicContact CG2-CB 4.22Å; V132-K167 HydrophobicContact CG2-CG 4.16Å; V132-K168 HydrophobicContact CG2-CB 3.79Å; V132-K168 HydrophobicContact CG2-CG 4.45Å |
| 133 | T | 94.8 | Very high | 92.9 | Very high | 54 Ų | 54 | 53.3 Ų | 53.3 | 33% | 0.331 | 30% | 0.303 | S | S | . | . | trans | -101.9 | 167.7 | 176.4 | 68.2 | 0 | 0 | 0 | 0 | 111.5 | T135 D136 V137 | T133-T135 PolarHBondContact O-N 3.45Å; T133-D136 WeakPolarHBondContact CB-OD2 3.21Å; T133-D136 PolarHBondContact N-OD2 3.47Å; T133-D136 WeakPolarHBondContact O-CB 3.44Å; T133-D136 PolarHBondContact O-N 3.08Å; T133-D136 VanDerWaalsContact O-N 3.13Å; T133-D136 VanDerWaalsContact OG1-CG 3.25Å; T133-D136 PolarHBondContact OG1-N 3.24Å; T133-D136 PolarHBondContact OG1-OD2 2.98Å; T133-V137 WeakPolarHBondContact O-CG2 3.42Å; T133-V137 PolarHBondContact O-N 3.49Å; T133-V137 VanDerWaalsContact O-N 3.14Å | ||
| 134 | L | 94.3 | Very high | 93 | Very high | 65 Ų | 65 | 52.1 Ų | 52.1 | 34% | 0.34 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.8 | -38.7 | 174.5 | -177.7 | 57.9 | 0 | 0 | 0 | 112.1 | K122 I127 D136 V137 D138 | K122-L134 VanDerWaalsContact CE-CD1 3.43Å; I127-L134 HydrophobicContact CD1-CD1 4.21Å; L134-D136 VanDerWaalsContact C-N 3.29Å; L134-D136 PolarHBondContact O-N 3.02Å; L134-V137 WeakPolarHBondContact O-CB 3.32Å; L134-V137 PolarHBondContact O-N 3.44Å; L134-D138 PolarHBondContact O-N 2.93Å; L134-D138 VanDerWaalsContact O-N 3.07Å |
| 135 | T | 95.7 | Very high | 93 | Very high | 91 Ų | 91 | 54.3 Ų | 54.3 | 56% | 0.558 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.4 | -41 | 175.8 | -50.4 | 0 | 0 | 0 | 0 | 111.3 | T133 V137 D138 I139 | T133-T135 PolarHBondContact O-N 3.45Å; T135-V137 VanDerWaalsContact C-N 3.34Å; T135-V137 PolarHBondContact O-N 2.78Å; T135-D138 PolarHBondContact O-N 3.04Å; T135-I139 HydrophobicContact CG2-CD1 3.99Å; T135-I139 VanDerWaalsContact O-CG1 3.27Å; T135-I139 WeakPolarHBondContact O-CG1 3.44Å; T135-I139 PolarHBondContact O-N 3.26Å |
| 136 | D | 94.5 | Very high | 93.2 | Very high | 23 Ų | 23 | 59.1 Ų | 59.1 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 177.3 | -62.1 | -53.5 | 0 | 0 | 0 | 112.1 | T133 L134 D138 I139 V140 K167 | T133-D136 WeakPolarHBondContact CB-OD2 3.21Å; T133-D136 PolarHBondContact N-OD2 3.47Å; T133-D136 WeakPolarHBondContact O-CB 3.44Å; T133-D136 PolarHBondContact O-N 3.08Å; T133-D136 VanDerWaalsContact O-N 3.13Å; T133-D136 VanDerWaalsContact OG1-CG 3.25Å; T133-D136 PolarHBondContact OG1-N 3.24Å; T133-D136 PolarHBondContact OG1-OD2 2.98Å; L134-D136 VanDerWaalsContact C-N 3.29Å; L134-D136 PolarHBondContact O-N 3.02Å; D136-D138 VanDerWaalsContact C-N 3.3Å; D136-D138 PolarHBondContact O-N 3.44Å; D136-I139 PolarHBondContact O-N 3.4Å; D136-V140 WeakPolarHBondContact O-CB 3.25Å; D136-V140 WeakPolarHBondContact O-CG2 3.24Å; D136-V140 PolarHBondContact O-N 3.36Å; D136-K167 HydrophobicContact CB-CD 4.32Å; D136-K167 WeakPolarHBondContact OD1-CE 3.43Å; D136-K167 IonicContact OD1-NZ 2.62Å; D136-K167 PolarHBondContact OD1-NZ 3.12Å; D136-K167 WeakPolarHBondContact OD2-CE 3.27Å; D136-K167 IonicContact OD2-NZ 3.4Å; D136-K167 PolarHBondContact OD2-NZ 3.22Å |
| 137 | V | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 111 | W117 C121 I127 V132 T133 L134 T135 F141 L164 | W117-V137 HydrophobicContact CG-CG1 4.47Å; W117-V137 PolarHBondContact NE1-O 3.35Å; C121-V137 HydrophobicContact CB-CG1 3.92Å; C121-V137 HydrophobicContact CB-CG2 3.95Å; I127-V137 HydrophobicContact CD1-CG2 4.01Å; I127-V137 HydrophobicContact CG1-CG2 3.81Å; V132-V137 HydrophobicContact CG1-CG2 4Å; T133-V137 WeakPolarHBondContact O-CG2 3.42Å; T133-V137 PolarHBondContact O-N 3.49Å; T133-V137 VanDerWaalsContact O-N 3.14Å; L134-V137 WeakPolarHBondContact O-CB 3.32Å; L134-V137 PolarHBondContact O-N 3.44Å; T135-V137 VanDerWaalsContact C-N 3.34Å; T135-V137 PolarHBondContact O-N 2.78Å; V137-F141 WeakPolarHBondContact O-CB 3.5Å; V137-F141 PolarHBondContact O-N 3.11Å; V137-L164 HydrophobicContact CG2-CD1 4.2Å; V137-L164 HydrophobicContact CG2-CD2 4.29Å |
| 138 | D | 95.8 | Very high | 93.1 | Very high | 69 Ų | 69 | 72.8 Ų | 72.8 | 37% | 0.369 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72.9 | -34.5 | 178.8 | -66.3 | -26.8 | 0 | 0 | 0 | 112.6 | S118 L134 T135 D136 S142 | S118-D138 PolarHBondContact OG-OD1 3.39Å; L134-D138 PolarHBondContact O-N 2.93Å; L134-D138 VanDerWaalsContact O-N 3.07Å; T135-D138 PolarHBondContact O-N 3.04Å; D136-D138 VanDerWaalsContact C-N 3.3Å; D136-D138 PolarHBondContact O-N 3.44Å; D138-S142 WeakPolarHBondContact O-CB 3.32Å; D138-S142 PolarHBondContact O-N 3.21Å; D138-S142 PolarHBondContact O-OG 3.25Å |
| 139 | I | 96.1 | Very high | 93.4 | Very high | 98 Ų | 98 | 72.8 Ų | 72.8 | 50% | 0.503 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.5 | -50.2 | 172.9 | -71 | 166.3 | 0 | 0 | 0 | 110.2 | T135 D136 F141 S142 K143 | T135-I139 HydrophobicContact CG2-CD1 3.99Å; T135-I139 VanDerWaalsContact O-CG1 3.27Å; T135-I139 WeakPolarHBondContact O-CG1 3.44Å; T135-I139 PolarHBondContact O-N 3.26Å; D136-I139 PolarHBondContact O-N 3.4Å; I139-F141 VanDerWaalsContact C-N 3.31Å; I139-F141 PolarHBondContact O-N 3.23Å; I139-S142 PolarHBondContact O-N 3.23Å; I139-S142 VanDerWaalsContact O-N 3.09Å; I139-K143 WeakPolarHBondContact O-CB 3.32Å; I139-K143 PolarHBondContact O-N 3.19Å |
| 140 | V | 96.6 | Very high | 93.9 | Very high | 12 Ų | 12 | 79 Ų | 79 | 7% | 0.073 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 179.1 | 168.6 | 0 | 0 | 0 | 0 | 110.3 | W117 D136 S142 K143 V144 A160 E163 L164 | W117-V140 HydrophobicContact CZ2-CG1 4.36Å; D136-V140 WeakPolarHBondContact O-CB 3.25Å; D136-V140 WeakPolarHBondContact O-CG2 3.24Å; D136-V140 PolarHBondContact O-N 3.36Å; V140-S142 VanDerWaalsContact C-N 3.28Å; V140-S142 PolarHBondContact O-N 3.26Å; V140-K143 WeakPolarHBondContact O-CB 3.44Å; V140-K143 PolarHBondContact O-N 3.36Å; V140-K143 VanDerWaalsContact O-N 3.1Å; V140-V144 HydrophobicContact CG1-CG1 4.36Å; V140-V144 WeakPolarHBondContact O-CG2 3.38Å; V140-V144 PolarHBondContact O-N 3.45Å; V140-A160 HydrophobicContact CG1-CB 3.81Å; V140-E163 HydrophobicContact CG1-CB 3.93Å; V140-E163 HydrophobicContact CG1-CG 4.34Å; V140-E163 HydrophobicContact CG2-CB 4.03Å; V140-L164 HydrophobicContact CB-CD2 4.34Å; V140-L164 HydrophobicContact CG1-CG 4.41Å; V140-L164 HydrophobicContact CG2-CD2 3.88Å; V140-L164 HydrophobicContact CG2-CG 4.45Å |
| 141 | F | 96.9 | Very high | 94.4 | Very high | 15 Ų | 15 | 72.8 Ų | 72.8 | 7% | 0.066 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -55.1 | -46.3 | 174.6 | -175.4 | -95.3 | 0 | 0 | 0 | 111.9 | G114 W117 V137 I139 K143 K145 I152 | G114-F141 VanDerWaalsContact CA-CE2 3.46Å; W117-F141 HydrophobicContact CB-CD2 3.86Å; W117-F141 HydrophobicContact CB-CE2 4.11Å; W117-F141 AromaticContact CD1-CD2 3.55Å; W117-F141 AromaticContact CD1-CG 3.92Å; W117-F141 HydrophobicContact CD2-CD2 4.49Å; W117-F141 AromaticContact CG-CD2 3.69Å; W117-F141 HydrophobicContact CG-CD2 3.69Å; W117-F141 HydrophobicContact CG-CE2 4.42Å; W117-F141 HydrophobicContact CG-CG 4.49Å; V137-F141 WeakPolarHBondContact O-CB 3.5Å; V137-F141 PolarHBondContact O-N 3.11Å; I139-F141 VanDerWaalsContact C-N 3.31Å; I139-F141 PolarHBondContact O-N 3.23Å; F141-K143 VanDerWaalsContact C-N 3.25Å; F141-K143 PolarHBondContact O-N 3.13Å; F141-K145 HydrophobicContact CD1-CD 3.65Å; F141-K145 HydrophobicContact CE1-CD 3.42Å; F141-K145 VanDerWaalsContact CE1-CD 3.42Å; F141-K145 HydrophobicContact CZ-CD 4.28Å; F141-K145 WeakPolarHBondContact O-CB 3.48Å; F141-K145 WeakPolarHBondContact O-CD 3.25Å; F141-K145 VanDerWaalsContact O-CG 3.31Å; F141-K145 WeakPolarHBondContact O-CG 3.45Å; F141-K145 PolarHBondContact O-N 2.85Å; F141-K145 VanDerWaalsContact O-N 3.15Å; F141-I152 HydrophobicContact CD2-CD1 3.88Å; F141-I152 HydrophobicContact CD2-CG1 4.36Å; F141-I152 HydrophobicContact CD2-CG2 3.96Å; F141-I152 HydrophobicContact CE2-CB 4.17Å; F141-I152 HydrophobicContact CE2-CD1 3.78Å; F141-I152 HydrophobicContact CE2-CG1 3.76Å; F141-I152 HydrophobicContact CE2-CG2 3.51Å; F141-I152 HydrophobicContact CZ-CG2 3.88Å |
| 142 | S | 96.4 | Very high | 94.8 | Very high | 73 Ų | 73 | 70 Ų | 70 | 51% | 0.51 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.3 | -26 | -179.3 | -61.2 | 0 | 0 | 0 | 0 | 113.6 | D138 I139 V140 | D138-S142 WeakPolarHBondContact O-CB 3.32Å; D138-S142 PolarHBondContact O-N 3.21Å; D138-S142 PolarHBondContact O-OG 3.25Å; I139-S142 PolarHBondContact O-N 3.23Å; I139-S142 VanDerWaalsContact O-N 3.09Å; V140-S142 VanDerWaalsContact C-N 3.28Å; V140-S142 PolarHBondContact O-N 3.26Å |
| 143 | K | 95.5 | Very high | 95 | Very high | 134 Ų | 134 | 72.2 Ų | 72.2 | 58% | 0.583 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -80.3 | -41.9 | 178.7 | -176.7 | 177.1 | 167.5 | -155.3 | 0 | 112.9 | I139 V140 F141 E163 | I139-K143 WeakPolarHBondContact O-CB 3.32Å; I139-K143 PolarHBondContact O-N 3.19Å; V140-K143 WeakPolarHBondContact O-CB 3.44Å; V140-K143 PolarHBondContact O-N 3.36Å; V140-K143 VanDerWaalsContact O-N 3.1Å; F141-K143 VanDerWaalsContact C-N 3.25Å; F141-K143 PolarHBondContact O-N 3.13Å; K143-E163 WeakPolarHBondContact CD-OE2 3.37Å; K143-E163 WeakPolarHBondContact CE-OE1 3.39Å; K143-E163 IonicContact NZ-OE1 2.68Å; K143-E163 PolarHBondContact NZ-OE1 3.21Å; K143-E163 IonicContact NZ-OE2 3.35Å; K143-E163 PolarHBondContact NZ-OE2 3.21Å |
| 144 | V | 95.9 | Very high | 95 | Very high | 23 Ų | 23 | 71.6 Ų | 71.6 | 14% | 0.139 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -80.9 | -28.9 | -177.6 | -58.8 | 0 | 0 | 0 | 0 | 113.1 | V140 I152 V159 A160 | V140-V144 HydrophobicContact CG1-CG1 4.36Å; V140-V144 WeakPolarHBondContact O-CG2 3.38Å; V140-V144 PolarHBondContact O-N 3.45Å; V144-I152 HydrophobicContact CG2-CG2 4.01Å; V144-V159 HydrophobicContact CG1-CG1 4.1Å; V144-A160 HydrophobicContact CG1-CB 4.05Å; V144-A160 HydrophobicContact CG2-CB 3.99Å |
| 145 | K | 95.2 | Very high | 95 | Very high | 53 Ų | 53 | 75.3 Ų | 75.3 | 23% | 0.23 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -71.4 | 145.9 | 179.8 | 77.9 | -167 | -178.1 | 105.5 | 0 | 110.5 | F141 C149 I152 | F141-K145 HydrophobicContact CD1-CD 3.65Å; F141-K145 HydrophobicContact CE1-CD 3.42Å; F141-K145 VanDerWaalsContact CE1-CD 3.42Å; F141-K145 HydrophobicContact CZ-CD 4.28Å; F141-K145 WeakPolarHBondContact O-CB 3.48Å; F141-K145 WeakPolarHBondContact O-CD 3.25Å; F141-K145 VanDerWaalsContact O-CG 3.31Å; F141-K145 WeakPolarHBondContact O-CG 3.45Å; F141-K145 PolarHBondContact O-N 2.85Å; F141-K145 VanDerWaalsContact O-N 3.15Å; K145-C149 PolarHBondContact NZ-O 2.83Å; K145-I152 HydrophobicContact CB-CG2 3.52Å |
| 146 | K | 93.6 | Very high | 95 | Very high | 138 Ų | 138 | 72.3 Ų | 72.3 | 60% | 0.6 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 146.2 | 170.3 | -67 | 172.3 | -172.1 | 175.1 | 0 | 111.1 | S148 C149 E156 | K146-S148 PolarHBondContact O-N 3.44Å; K146-C149 HydrophobicContact CB-CB 4.31Å; K146-C149 WeakPolarHBondContact O-CB 3.37Å; K146-C149 PolarHBondContact O-N 3.18Å; K146-E156 WeakPolarHBondContact CE-OE1 3.48Å |
| 147 | K | 92.6 | Very high | 95.1 | Very high | 205 Ų | 205 | 71.2 Ų | 71.2 | 89% | 0.891 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 138.7 | 175.8 | -68.7 | -162.1 | -68.9 | -176.6 | 0 | 109.8 | C149 | K147-C149 PolarHBondContact O-N 2.94Å; K147-C149 VanDerWaalsContact O-N 3.16Å |
| 148 | S | 90.4 | Very high | 95 | Very high | 123 Ų | 123 | 75.6 Ų | 75.6 | 86% | 0.86 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | -5.8 | -176 | -162.7 | 0 | 0 | 0 | 0 | 116.9 | K146 | K146-S148 PolarHBondContact O-N 3.44Š|
| 149 | C | 92.7 | Very high | 95 | Very high | 50 Ų | 50 | 76.3 Ų | 76.3 | 34% | 0.338 | 38% | 0.381 | S | S | . | . | trans | -79 | 146.7 | 173.1 | -69.3 | 0 | 0 | 0 | 0 | 111.5 | K145 K146 K147 | K145-C149 PolarHBondContact NZ-O 2.83Å; K146-C149 HydrophobicContact CB-CB 4.31Å; K146-C149 WeakPolarHBondContact O-CB 3.37Å; K146-C149 PolarHBondContact O-N 3.18Å; K147-C149 PolarHBondContact O-N 2.94Å; K147-C149 VanDerWaalsContact O-N 3.16Å | ||
| 150 | R | 93.9 | Very high | 95 | Very high | 194 Ų | 194 | 71.6 Ų | 71.6 | 73% | 0.732 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -101.8 | -8.2 | 176.2 | -67.8 | -175 | 170.6 | 107.7 | -1.6 | 113.1 | ||
| 151 | T | 95.4 | Very high | 94.9 | Very high | 49 Ų | 49 | 71 Ų | 71 | 30% | 0.301 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 161.1 | -175.1 | 54.5 | 0 | 0 | 0 | 0 | 110.1 | D111 M112 H113 | D111-T151 HydrophobicContact CB-CG2 4.45Å; M112-T151 CarbonylContact O-C 3.5Å; M112-T151 WeakPolarHBondContact O-CA 3.28Å; M112-T151 WeakPolarHBondContact O-CB 3.43Å; H113-T151 HydrophobicContact CB-CG2 4.33Å |
| 152 | I | 96.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 148.3 | 172.7 | 61.6 | 178.5 | 0 | 0 | 0 | 110.4 | D111 M112 W117 F141 V144 K145 E156 F157 | D111-I152 CarbonylContact C-O 3.52Å; D111-I152 VanDerWaalsContact CA-O 3.26Å; D111-I152 WeakPolarHBondContact CA-O 3.42Å; M112-I152 HydrophobicContact CB-CG1 4.26Å; M112-I152 PolarHBondContact N-O 3.42Å; M112-I152 PolarHBondContact O-N 3.16Å; W117-I152 HydrophobicContact CE3-CD1 4.42Å; F141-I152 HydrophobicContact CD2-CD1 3.88Å; F141-I152 HydrophobicContact CD2-CG1 4.36Å; F141-I152 HydrophobicContact CD2-CG2 3.96Å; F141-I152 HydrophobicContact CE2-CB 4.17Å; F141-I152 HydrophobicContact CE2-CD1 3.78Å; F141-I152 HydrophobicContact CE2-CG1 3.76Å; F141-I152 HydrophobicContact CE2-CG2 3.51Å; F141-I152 HydrophobicContact CZ-CG2 3.88Å; V144-I152 HydrophobicContact CG2-CG2 4.01Å; K145-I152 HydrophobicContact CB-CG2 3.52Å; I152-E156 WeakPolarHBondContact CA-OE2 3.44Å; I152-E156 HydrophobicContact CB-CB 4.04Å; I152-E156 HydrophobicContact CG2-CB 4.47Å; I152-F157 HydrophobicContact CD1-CB 4.09Å; I152-F157 HydrophobicContact CD1-CD2 4.44Å |
| 153 | T | 96.4 | Very high | 94.5 | Very high | 46 Ų | 46 | 68.5 Ų | 68.5 | 28% | 0.282 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 172.2 | 173.4 | 70.9 | 0 | 0 | 0 | 0 | 111.3 | E155 E156 F157 | T153-E155 VanDerWaalsContact C-N 3.26Å; T153-E155 PolarHBondContact O-N 3.3Å; T153-E155 PolarHBondContact OG1-N 2.91Å; T153-E156 PolarHBondContact N-OE2 3.4Å; T153-E156 PolarHBondContact O-N 2.94Å; T153-E156 PolarHBondContact OG1-N 3.33Å; T153-F157 VanDerWaalsContact O-CB 3.32Å; T153-F157 WeakPolarHBondContact O-CB 3.37Å; T153-F157 PolarHBondContact O-N 3.26Å |
| 154 | F | 95.1 | Very high | 94.4 | Very high | 41 Ų | 41 | 62.1 Ų | 62.1 | 18% | 0.18 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -33.4 | 175.5 | -177.8 | -115.9 | 0 | 0 | 0 | 113.3 | L92 E93 F96 F157 K158 | L92-F154 HydrophobicContact CG-CE2 4.39Å; E93-F154 HydrophobicContact CB-CD2 4.34Å; E93-F154 HydrophobicContact CB-CE1 4.16Å; E93-F154 HydrophobicContact CB-CE2 3.75Å; E93-F154 HydrophobicContact CB-CZ 3.64Å; E93-F154 HydrophobicContact CG-CD1 4.31Å; E93-F154 HydrophobicContact CG-CD2 4.07Å; E93-F154 HydrophobicContact CG-CE1 4.23Å; E93-F154 HydrophobicContact CG-CE2 3.99Å; E93-F154 HydrophobicContact CG-CG 4.23Å; E93-F154 HydrophobicContact CG-CZ 4.07Å; F96-F154 HydrophobicContact CB-CD2 3.95Å; F96-F154 HydrophobicContact CB-CE2 4.17Å; F96-F154 HydrophobicContact CD1-CB 4.42Å; F96-F154 HydrophobicContact CD1-CD2 4.07Å; F96-F154 AromaticContact CD2-CD2 3.99Å; F96-F154 HydrophobicContact CD2-CD2 3.99Å; F96-F154 HydrophobicContact CE1-CB 4.21Å; F96-F154 AromaticContact CG-CD2 3.74Å; F96-F154 HydrophobicContact CG-CD2 3.74Å; F96-F154 HydrophobicContact CG-CE2 4.45Å; F96-F154 HydrophobicContact CZ-CB 4.31Å; F154-F157 AromaticContact CD2-CD1 3.92Å; F154-F157 HydrophobicContact CD2-CD1 3.92Å; F154-F157 HydrophobicContact CD2-CE1 4.5Å; F154-F157 AromaticContact CE2-CD1 3.98Å; F154-F157 HydrophobicContact CE2-CD1 3.98Å; F154-F157 HydrophobicContact CE2-CE1 4.21Å; F154-F157 WeakPolarHBondContact O-CB 3.44Å; F154-F157 PolarHBondContact O-N 3.18Å; F154-K158 HydrophobicContact CE1-CD 3.96Å; F154-K158 HydrophobicContact CE1-CG 4.38Å; F154-K158 HydrophobicContact CE2-CG 4.45Å; F154-K158 HydrophobicContact CZ-CD 4.09Å; F154-K158 HydrophobicContact CZ-CG 4.19Å; F154-K158 PolarHBondContact O-N 3.36Å; F154-K158 VanDerWaalsContact O-N 3.11Å |
| 155 | E | 94.7 | Very high | 94.2 | Very high | 143 Ų | 143 | 61 Ų | 61 | 67% | 0.668 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -67.9 | -48.1 | 177.7 | -173.4 | 175.3 | -166.3 | 0 | 0 | 111.4 | T153 F157 K158 V159 | T153-E155 VanDerWaalsContact C-N 3.26Å; T153-E155 PolarHBondContact O-N 3.3Å; T153-E155 PolarHBondContact OG1-N 2.91Å; E155-F157 PolarHBondContact O-N 3.48Å; E155-K158 PolarHBondContact O-N 3.35Å; E155-V159 PolarHBondContact O-N 3.23Å |
| 156 | E | 95.8 | Very high | 94 | Very high | 28 Ų | 28 | 64.5 Ų | 64.5 | 13% | 0.131 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.3 | -34.4 | 175.6 | -67 | 168.5 | 169.4 | 0 | 0 | 111.3 | K146 I152 T153 V159 A160 | K146-E156 WeakPolarHBondContact CE-OE1 3.48Å; I152-E156 WeakPolarHBondContact CA-OE2 3.44Å; I152-E156 HydrophobicContact CB-CB 4.04Å; I152-E156 HydrophobicContact CG2-CB 4.47Å; T153-E156 PolarHBondContact N-OE2 3.4Å; T153-E156 PolarHBondContact O-N 2.94Å; T153-E156 PolarHBondContact OG1-N 3.33Å; E156-V159 PolarHBondContact O-N 3.44Å; E156-A160 WeakPolarHBondContact O-CB 3.4Å; E156-A160 PolarHBondContact O-N 3.13Å |
| 157 | F | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 173.7 | 168 | -97.6 | 0 | 0 | 0 | 113 | L92 F96 M112 W117 L120 I152 T153 F154 E155 V159 A160 L161 I185 | L92-F157 HydrophobicContact CD1-CE1 4.07Å; L92-F157 HydrophobicContact CD1-CZ 4.41Å; L92-F157 HydrophobicContact CG-CE1 4.16Å; F96-F157 HydrophobicContact CB-CE1 4.25Å; F96-F157 HydrophobicContact CB-CZ 4.49Å; F96-F157 HydrophobicContact CD2-CB 3.86Å; F96-F157 AromaticContact CD2-CD1 3.69Å; F96-F157 HydrophobicContact CD2-CD1 3.69Å; F96-F157 AromaticContact CD2-CD2 3.74Å; F96-F157 HydrophobicContact CD2-CD2 3.74Å; F96-F157 HydrophobicContact CD2-CE1 4.08Å; F96-F157 HydrophobicContact CD2-CE2 4.13Å; F96-F157 AromaticContact CD2-CG 3.49Å; F96-F157 HydrophobicContact CD2-CG 3.49Å; F96-F157 VanDerWaalsContact CD2-CG 3.49Å; F96-F157 HydrophobicContact CD2-CZ 4.28Å; F96-F157 HydrophobicContact CE2-CB 3.68Å; F96-F157 HydrophobicContact CE2-CD1 4.39Å; F96-F157 HydrophobicContact CE2-CD2 4.13Å; F96-F157 AromaticContact CE2-CG 3.84Å; F96-F157 HydrophobicContact CE2-CG 3.84Å; F96-F157 HydrophobicContact CG-CD1 4.47Å; M112-F157 HydrophobicContact CE-CD2 4.14Å; M112-F157 HydrophobicContact CE-CE2 4.08Å; W117-F157 AromaticContact CE3-CD2 3.67Å; W117-F157 HydrophobicContact CE3-CD2 3.67Å; W117-F157 AromaticContact CE3-CE2 3.74Å; W117-F157 HydrophobicContact CE3-CE2 3.74Å; W117-F157 AromaticContact CZ3-CD2 3.44Å; W117-F157 HydrophobicContact CZ3-CD2 3.44Å; W117-F157 VanDerWaalsContact CZ3-CD2 3.44Å; W117-F157 AromaticContact CZ3-CE2 3.43Å; W117-F157 HydrophobicContact CZ3-CE2 3.43Å; W117-F157 VanDerWaalsContact CZ3-CE2 3.43Å; L120-F157 HydrophobicContact CD1-CE2 3.73Å; L120-F157 HydrophobicContact CD1-CZ 3.93Å; L120-F157 HydrophobicContact CD2-CE2 4.15Å; L120-F157 HydrophobicContact CD2-CZ 4.4Å; I152-F157 HydrophobicContact CD1-CB 4.09Å; I152-F157 HydrophobicContact CD1-CD2 4.44Å; T153-F157 VanDerWaalsContact O-CB 3.32Å; T153-F157 WeakPolarHBondContact O-CB 3.37Å; T153-F157 PolarHBondContact O-N 3.26Å; F154-F157 AromaticContact CD2-CD1 3.92Å; F154-F157 HydrophobicContact CD2-CD1 3.92Å; F154-F157 HydrophobicContact CD2-CE1 4.5Å; F154-F157 AromaticContact CE2-CD1 3.98Å; F154-F157 HydrophobicContact CE2-CD1 3.98Å; F154-F157 HydrophobicContact CE2-CE1 4.21Å; F154-F157 WeakPolarHBondContact O-CB 3.44Å; F154-F157 PolarHBondContact O-N 3.18Å; E155-F157 PolarHBondContact O-N 3.48Å; F157-V159 VanDerWaalsContact C-N 3.32Å; F157-V159 PolarHBondContact O-N 2.88Å; F157-A160 VanDerWaalsContact O-CB 3.32Å; F157-A160 WeakPolarHBondContact O-CB 3.48Å; F157-A160 PolarHBondContact O-N 2.95Å; F157-L161 HydrophobicContact CD1-CD1 4.07Å; F157-L161 HydrophobicContact CE1-CD1 3.43Å; F157-L161 VanDerWaalsContact CE1-CD1 3.43Å; F157-L161 HydrophobicContact CE1-CG 4.28Å; F157-L161 HydrophobicContact CE2-CD1 4.14Å; F157-L161 HydrophobicContact CE2-CD2 4.4Å; F157-L161 HydrophobicContact CE2-CG 4.28Å; F157-L161 HydrophobicContact CZ-CD1 3.49Å; F157-L161 VanDerWaalsContact CZ-CD1 3.49Å; F157-L161 HydrophobicContact CZ-CD2 4.41Å; F157-L161 HydrophobicContact CZ-CG 4.12Å; F157-L161 WeakPolarHBondContact O-CG 3.37Å; F157-L161 PolarHBondContact O-N 3.42Å; F157-I185 HydrophobicContact CZ-CG2 4.5Å |
| 158 | K | 93.9 | Very high | 93.6 | Very high | 93 Ų | 93 | 53.1 Ų | 53.1 | 40% | 0.404 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 175.6 | -70.3 | -173.6 | -62 | 172.7 | 0 | 111.5 | F154 E155 A160 L161 G162 | F154-K158 HydrophobicContact CE1-CD 3.96Å; F154-K158 HydrophobicContact CE1-CG 4.38Å; F154-K158 HydrophobicContact CE2-CG 4.45Å; F154-K158 HydrophobicContact CZ-CD 4.09Å; F154-K158 HydrophobicContact CZ-CG 4.19Å; F154-K158 PolarHBondContact O-N 3.36Å; F154-K158 VanDerWaalsContact O-N 3.11Å; E155-K158 PolarHBondContact O-N 3.35Å; K158-A160 VanDerWaalsContact C-N 3.31Å; K158-A160 PolarHBondContact O-N 3.03Å; K158-L161 PolarHBondContact O-N 3.41Å; K158-G162 PolarHBondContact O-N 2.72Å |
| 159 | V | 95.3 | Very high | 93.5 | Very high | 83 Ų | 83 | 49.8 Ų | 49.8 | 50% | 0.503 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61 | -42.5 | 175.5 | 177.8 | 0 | 0 | 0 | 0 | 111 | V144 E155 E156 F157 L161 G162 E163 | V144-V159 HydrophobicContact CG1-CG1 4.1Å; E155-V159 PolarHBondContact O-N 3.23Å; E156-V159 PolarHBondContact O-N 3.44Å; F157-V159 VanDerWaalsContact C-N 3.32Å; F157-V159 PolarHBondContact O-N 2.88Å; V159-L161 VanDerWaalsContact C-N 3.33Å; V159-L161 PolarHBondContact O-N 2.89Å; V159-G162 PolarHBondContact O-N 3.14Å; V159-E163 WeakPolarHBondContact O-CG 3.22Å; V159-E163 PolarHBondContact O-N 3.36Å |
| 160 | A | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.6 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | W117 V140 V144 E156 F157 K158 G162 E163 L164 | W117-A160 HydrophobicContact CH2-CB 3.51Å; W117-A160 HydrophobicContact CZ2-CB 3.76Å; W117-A160 HydrophobicContact CZ3-CB 4.2Å; V140-A160 HydrophobicContact CG1-CB 3.81Å; V144-A160 HydrophobicContact CG1-CB 4.05Å; V144-A160 HydrophobicContact CG2-CB 3.99Å; E156-A160 WeakPolarHBondContact O-CB 3.4Å; E156-A160 PolarHBondContact O-N 3.13Å; F157-A160 VanDerWaalsContact O-CB 3.32Å; F157-A160 WeakPolarHBondContact O-CB 3.48Å; F157-A160 PolarHBondContact O-N 2.95Å; K158-A160 VanDerWaalsContact C-N 3.31Å; K158-A160 PolarHBondContact O-N 3.03Å; A160-G162 VanDerWaalsContact C-N 3.33Å; A160-E163 PolarHBondContact O-N 3.49Å; A160-L164 PolarHBondContact O-N 3.31Å |
| 161 | L | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 176.8 | -69.2 | -179.4 | 0 | 0 | 0 | 111.9 | L92 W117 F157 K158 V159 E163 L164 A165 V181 F182 I185 | L92-L161 HydrophobicContact CD1-CD1 4.23Å; W117-L161 HydrophobicContact CH2-CD2 3.68Å; W117-L161 HydrophobicContact CH2-CG 4.21Å; W117-L161 HydrophobicContact CZ3-CD2 3.73Å; W117-L161 HydrophobicContact CZ3-CG 4.2Å; F157-L161 HydrophobicContact CD1-CD1 4.07Å; F157-L161 HydrophobicContact CE1-CD1 3.43Å; F157-L161 VanDerWaalsContact CE1-CD1 3.43Å; F157-L161 HydrophobicContact CE1-CG 4.28Å; F157-L161 HydrophobicContact CE2-CD1 4.14Å; F157-L161 HydrophobicContact CE2-CD2 4.4Å; F157-L161 HydrophobicContact CE2-CG 4.28Å; F157-L161 HydrophobicContact CZ-CD1 3.49Å; F157-L161 VanDerWaalsContact CZ-CD1 3.49Å; F157-L161 HydrophobicContact CZ-CD2 4.41Å; F157-L161 HydrophobicContact CZ-CG 4.12Å; F157-L161 WeakPolarHBondContact O-CG 3.37Å; F157-L161 PolarHBondContact O-N 3.42Å; K158-L161 PolarHBondContact O-N 3.41Å; V159-L161 VanDerWaalsContact C-N 3.33Å; V159-L161 PolarHBondContact O-N 2.89Å; L161-E163 VanDerWaalsContact C-N 3.34Å; L161-E163 PolarHBondContact O-N 3.28Å; L161-L164 PolarHBondContact O-N 3.01Å; L161-A165 VanDerWaalsContact O-CB 3.24Å; L161-A165 WeakPolarHBondContact O-CB 3.3Å; L161-A165 PolarHBondContact O-N 3.09Å; L161-V181 HydrophobicContact CB-CG1 4.35Å; L161-V181 HydrophobicContact CD2-CG1 3.8Å; L161-F182 HydrophobicContact CB-CD1 4.34Å; L161-F182 HydrophobicContact CB-CE1 3.69Å; L161-F182 HydrophobicContact CD1-CD1 3.67Å; L161-F182 HydrophobicContact CD1-CE1 3.54Å; L161-F182 HydrophobicContact CG-CE1 4.29Å; L161-I185 HydrophobicContact CD1-CD1 3.66Å; L161-I185 HydrophobicContact CD2-CD1 3.37Å; L161-I185 HydrophobicContact CG-CD1 4.19Å |
| 162 | G | 92.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.7 | -41 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K158 V159 A160 L164 A165 R166 E178 | K158-G162 PolarHBondContact O-N 2.72Å; V159-G162 PolarHBondContact O-N 3.14Å; A160-G162 VanDerWaalsContact C-N 3.33Å; G162-L164 PolarHBondContact O-N 3.46Å; G162-A165 PolarHBondContact O-N 2.8Å; G162-R166 VanDerWaalsContact C-NH1 3.34Å; G162-R166 WeakPolarHBondContact O-CG 3.46Å; G162-R166 PolarHBondContact O-N 3.21Å; G162-R166 VanDerWaalsContact O-N 3.12Å; G162-R166 PolarHBondContact O-NH1 2.75Å; G162-E178 VanDerWaalsContact CA-OE1 3.25Å; G162-E178 WeakPolarHBondContact CA-OE1 3.27Å |
| 163 | E | 93.8 | Very high | 91.3 | Very high | 34 Ų | 34 | 60.1 Ų | 60.1 | 16% | 0.159 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 174.8 | -54.6 | -133.3 | 139.3 | 0 | 0 | 112.5 | V140 K143 V159 A160 L161 R166 K167 | V140-E163 HydrophobicContact CG1-CB 3.93Å; V140-E163 HydrophobicContact CG1-CG 4.34Å; V140-E163 HydrophobicContact CG2-CB 4.03Å; K143-E163 WeakPolarHBondContact CD-OE2 3.37Å; K143-E163 WeakPolarHBondContact CE-OE1 3.39Å; K143-E163 IonicContact NZ-OE1 2.68Å; K143-E163 PolarHBondContact NZ-OE1 3.21Å; K143-E163 IonicContact NZ-OE2 3.35Å; K143-E163 PolarHBondContact NZ-OE2 3.21Å; V159-E163 WeakPolarHBondContact O-CG 3.22Å; V159-E163 PolarHBondContact O-N 3.36Å; A160-E163 PolarHBondContact O-N 3.49Å; L161-E163 VanDerWaalsContact C-N 3.34Å; L161-E163 PolarHBondContact O-N 3.28Å; E163-R166 IonicContact OE1-NH2 3.25Å; E163-K167 PolarHBondContact O-N 3.16Å |
| 164 | L | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70 | -36.9 | 177 | -68.3 | -176.6 | 0 | 0 | 0 | 112.3 | W117 V126 V132 V137 V140 A160 L161 G162 K167 K168 | W117-L164 HydrophobicContact CH2-CD1 3.7Å; W117-L164 HydrophobicContact CZ2-CD1 3.44Å; W117-L164 VanDerWaalsContact CZ2-CD1 3.44Å; W117-L164 HydrophobicContact CZ2-CG 4.29Å; V126-L164 HydrophobicContact CG1-CB 4.31Å; V126-L164 HydrophobicContact CG1-CD1 3.83Å; V132-L164 HydrophobicContact CG1-CD2 3.9Å; V137-L164 HydrophobicContact CG2-CD1 4.2Å; V137-L164 HydrophobicContact CG2-CD2 4.29Å; V140-L164 HydrophobicContact CB-CD2 4.34Å; V140-L164 HydrophobicContact CG1-CG 4.41Å; V140-L164 HydrophobicContact CG2-CD2 3.88Å; V140-L164 HydrophobicContact CG2-CG 4.45Å; A160-L164 PolarHBondContact O-N 3.31Å; L161-L164 PolarHBondContact O-N 3.01Å; G162-L164 PolarHBondContact O-N 3.46Å; L164-K167 PolarHBondContact O-N 3.13Å; L164-K168 VanDerWaalsContact O-CB 3.28Å; L164-K168 WeakPolarHBondContact O-CB 3.24Å; L164-K168 PolarHBondContact O-N 2.91Å |
| 165 | A | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.6 | -49 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | L161 G162 K167 K168 Y169 A177 E178 V181 | L161-A165 VanDerWaalsContact O-CB 3.24Å; L161-A165 WeakPolarHBondContact O-CB 3.3Å; L161-A165 PolarHBondContact O-N 3.09Å; G162-A165 PolarHBondContact O-N 2.8Å; A165-K167 PolarHBondContact O-N 3.43Å; A165-K168 PolarHBondContact O-N 2.78Å; A165-Y169 PolarHBondContact O-N 3.04Å; A165-A177 HydrophobicContact CB-CB 4.01Å; A165-E178 HydrophobicContact CB-CB 4.42Å; A165-E178 HydrophobicContact CB-CG 3.73Å; A165-V181 HydrophobicContact CB-CB 4.48Å; A165-V181 HydrophobicContact CB-CG2 3.85Å |
| 166 | R | 90.8 | Very high | 89.6 | Confident | 126 Ų | 126 | 63.3 Ų | 63.3 | 48% | 0.475 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.2 | -35.1 | 175.5 | -67.5 | -172.1 | -57 | -89.5 | 6.1 | 112.6 | G162 E163 E178 | G162-R166 VanDerWaalsContact C-NH1 3.34Å; G162-R166 WeakPolarHBondContact O-CG 3.46Å; G162-R166 PolarHBondContact O-N 3.21Å; G162-R166 VanDerWaalsContact O-N 3.12Å; G162-R166 PolarHBondContact O-NH1 2.75Å; E163-R166 IonicContact OE1-NH2 3.25Å; R166-E178 IonicContact NH1-OE1 2.94Å |
| 167 | K | 90.1 | Very high | 89.3 | Confident | 77 Ų | 77 | 62 Ų | 62 | 34% | 0.335 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -75.1 | -36.7 | 178 | -171.4 | 163.5 | 179.9 | 148.1 | 0 | 112.4 | N131 V132 D136 E163 L164 A165 | N131-K167 WeakPolarHBondContact CB-O 3.26Å; N131-K167 WeakPolarHBondContact O-CE 3.46Å; V132-K167 HydrophobicContact CG2-CB 4.22Å; V132-K167 HydrophobicContact CG2-CG 4.16Å; D136-K167 HydrophobicContact CB-CD 4.32Å; D136-K167 WeakPolarHBondContact OD1-CE 3.43Å; D136-K167 IonicContact OD1-NZ 2.62Å; D136-K167 PolarHBondContact OD1-NZ 3.12Å; D136-K167 WeakPolarHBondContact OD2-CE 3.27Å; D136-K167 IonicContact OD2-NZ 3.4Å; D136-K167 PolarHBondContact OD2-NZ 3.22Å; E163-K167 PolarHBondContact O-N 3.16Å; L164-K167 PolarHBondContact O-N 3.13Å; A165-K167 PolarHBondContact O-N 3.43Å |
| 168 | K | 87.9 | Confident | 89 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -75.9 | -43.2 | -179 | -172.4 | 172 | -178.9 | 161.3 | 0 | 112.9 | G125 V126 V132 L164 A165 | G125-K168 PolarHBondContact O-NZ 3.41Å; V126-K168 PolarHBondContact O-NZ 2.99Å; V126-K168 VanDerWaalsContact O-NZ 3.08Å; V132-K168 HydrophobicContact CG2-CB 3.79Å; V132-K168 HydrophobicContact CG2-CG 4.45Å; L164-K168 VanDerWaalsContact O-CB 3.28Å; L164-K168 WeakPolarHBondContact O-CB 3.24Å; L164-K168 PolarHBondContact O-N 2.91Å; A165-K168 PolarHBondContact O-N 2.78Å |
| 169 | Y | 87.7 | Confident | 88.8 | Confident | 53 Ų | 53 | 62.9 Ų | 62.9 | 21% | 0.208 | 32% | 0.315 | C | S | . | . | trans | -115.8 | 71.8 | -175.5 | -59.1 | -75.5 | 0 | 0 | 0 | 110.9 | A165 E171 K172 A177 E180 V181 | A165-Y169 PolarHBondContact O-N 3.04Å; Y169-E171 PolarHBondContact O-N 3.29Å; Y169-K172 HydrophobicContact CD1-CD 4.09Å; Y169-K172 HydrophobicContact CG-CD 4.28Å; Y169-K172 PolarHBondContact O-N 3.19Å; Y169-A177 HydrophobicContact CD2-CB 3.9Å; Y169-A177 HydrophobicContact CG-CB 4.19Å; Y169-E180 HydrophobicContact CE2-CB 3.85Å; Y169-V181 HydrophobicContact CD2-CG2 4.43Å; Y169-V181 HydrophobicContact CE2-CG2 3.9Å | ||
| 170 | K | 82.8 | Confident | 88.6 | Confident | 144 Ų | 144 | 62.3 Ų | 62.3 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -24.2 | -179.2 | -63.7 | 179.7 | -177.7 | 172 | 0 | 114.1 | ||
| 171 | E | 81.8 | Confident | 88.4 | Confident | 187 Ų | 187 | 62.3 Ų | 62.3 | 87% | 0.874 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -5.8 | -176.1 | -53.7 | -59.9 | 149.9 | 0 | 0 | 113.6 | Y169 | Y169-E171 PolarHBondContact O-N 3.29Š|
| 172 | K | 83.7 | Confident | 88.3 | Confident | 90 Ų | 90 | 64.3 Ų | 64.3 | 39% | 0.391 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -105.5 | 158.3 | -178.9 | -65.2 | -172.1 | 177.2 | -173 | 0 | 111 | Y169 A177 E180 | Y169-K172 HydrophobicContact CD1-CD 4.09Å; Y169-K172 HydrophobicContact CG-CD 4.28Å; Y169-K172 PolarHBondContact O-N 3.19Å; K172-A177 HydrophobicContact CB-CB 4.49Å; K172-E180 IonicContact NZ-OE1 2.67Å; K172-E180 PolarHBondContact NZ-OE1 2.86Å |
| 173 | T | 82.9 | Confident | 88.3 | Confident | 89 Ų | 89 | 71.5 Ų | 71.5 | 55% | 0.546 | 35% | 0.347 | S | S | . | . | trans | -60.2 | 144 | 166.4 | 41 | 0 | 0 | 0 | 0 | 110 | E175 D176 A177 | T173-E175 PolarHBondContact O-N 3.47Å; T173-D176 PolarHBondContact O-N 3.32Å; T173-D176 PolarHBondContact OG1-OD2 2.93Å; T173-A177 WeakPolarHBondContact O-CB 3.27Å; T173-A177 PolarHBondContact O-N 3.04Å | ||
| 174 | G | 80.2 | Confident | 88.2 | Confident | 35 Ų | 35 | 72.7 Ų | 72.7 | 36% | 0.361 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.2 | -36.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E178 | G174-E178 VanDerWaalsContact O-CG 3.32Å; G174-E178 WeakPolarHBondContact O-CG 3.42Å; G174-E178 PolarHBondContact O-N 3Å; G174-E178 VanDerWaalsContact O-N 3.08Å |
| 175 | E | 84.3 | Confident | 88.2 | Confident | 165 Ų | 165 | 72.7 Ų | 72.7 | 77% | 0.771 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -69.1 | -45 | 179.6 | -66.2 | 170.8 | 177.9 | 0 | 0 | 112.2 | T173 A177 E178 A179 | T173-E175 PolarHBondContact O-N 3.47Å; E175-A177 VanDerWaalsContact C-N 3.32Å; E175-A177 PolarHBondContact O-N 3.04Å; E175-E178 PolarHBondContact O-N 2.75Å; E175-A179 PolarHBondContact O-N 2.86Å |
| 176 | D | 87.2 | Confident | 88.2 | Confident | 98 Ų | 98 | 76.8 Ų | 76.8 | 52% | 0.524 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.3 | -36.9 | 176.5 | -76.7 | -9.6 | 0 | 0 | 0 | 111.6 | T173 E178 A179 E180 | T173-D176 PolarHBondContact O-N 3.32Å; T173-D176 PolarHBondContact OG1-OD2 2.93Å; D176-E178 VanDerWaalsContact C-N 3.33Å; D176-A179 PolarHBondContact O-N 2.93Å; D176-E180 VanDerWaalsContact O-CG 3.27Å; D176-E180 WeakPolarHBondContact O-CG 3.45Å; D176-E180 PolarHBondContact O-N 3.5Å; D176-E180 VanDerWaalsContact O-N 3.13Å |
| 177 | A | 89.6 | Confident | 88 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A165 Y169 K172 T173 E175 V181 | A165-A177 HydrophobicContact CB-CB 4.01Å; Y169-A177 HydrophobicContact CD2-CB 3.9Å; Y169-A177 HydrophobicContact CG-CB 4.19Å; K172-A177 HydrophobicContact CB-CB 4.49Å; T173-A177 WeakPolarHBondContact O-CB 3.27Å; T173-A177 PolarHBondContact O-N 3.04Å; E175-A177 VanDerWaalsContact C-N 3.32Å; E175-A177 PolarHBondContact O-N 3.04Å; A177-V181 WeakPolarHBondContact O-CG2 3.29Å; A177-V181 PolarHBondContact O-N 3.38Å |
| 178 | E | 89.6 | Confident | 88.1 | Confident | 57 Ų | 57 | 74.3 Ų | 74.3 | 27% | 0.266 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 178 | -78.9 | 177.7 | -160.8 | 0 | 0 | 111.7 | G162 A165 R166 G174 E175 D176 E180 V181 F182 | G162-E178 VanDerWaalsContact CA-OE1 3.25Å; G162-E178 WeakPolarHBondContact CA-OE1 3.27Å; A165-E178 HydrophobicContact CB-CB 4.42Å; A165-E178 HydrophobicContact CB-CG 3.73Å; R166-E178 IonicContact NH1-OE1 2.94Å; G174-E178 VanDerWaalsContact O-CG 3.32Å; G174-E178 WeakPolarHBondContact O-CG 3.42Å; G174-E178 PolarHBondContact O-N 3Å; G174-E178 VanDerWaalsContact O-N 3.08Å; E175-E178 PolarHBondContact O-N 2.75Å; D176-E178 VanDerWaalsContact C-N 3.33Å; E178-E180 VanDerWaalsContact C-N 3.31Å; E178-E180 PolarHBondContact O-N 2.88Å; E178-V181 PolarHBondContact O-N 3.47Å; E178-V181 VanDerWaalsContact O-N 3.14Å; E178-F182 HydrophobicContact CB-CZ 4.45Å; E178-F182 WeakPolarHBondContact O-CD1 3.5Å; E178-F182 VanDerWaalsContact O-CG 3.3Å; E178-F182 WeakPolarHBondContact O-CG 3.35Å; E178-F182 PolarHBondContact O-N 2.91Å |
| 179 | A | 90.3 | Very high | 88.3 | Confident | 55 Ų | 55 | 75.2 Ų | 75.2 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E175 D176 F182 K183 | E175-A179 PolarHBondContact O-N 2.86Å; D176-A179 PolarHBondContact O-N 2.93Å; A179-F182 PolarHBondContact O-N 3.16Å; A179-K183 WeakPolarHBondContact O-CB 3.44Å; A179-K183 PolarHBondContact O-N 3.21Å |
| 180 | E | 90.6 | Very high | 88.5 | Confident | 70 Ų | 70 | 73.8 Ų | 73.8 | 33% | 0.327 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 175.8 | -70.7 | -84.2 | -153.4 | 0 | 0 | 112.1 | Y169 K172 D176 E178 K183 L184 | Y169-E180 HydrophobicContact CE2-CB 3.85Å; K172-E180 IonicContact NZ-OE1 2.67Å; K172-E180 PolarHBondContact NZ-OE1 2.86Å; D176-E180 VanDerWaalsContact O-CG 3.27Å; D176-E180 WeakPolarHBondContact O-CG 3.45Å; D176-E180 PolarHBondContact O-N 3.5Å; D176-E180 VanDerWaalsContact O-N 3.13Å; E178-E180 VanDerWaalsContact C-N 3.31Å; E178-E180 PolarHBondContact O-N 2.88Å; E180-K183 PolarHBondContact O-N 3.24Å; E180-L184 WeakPolarHBondContact O-CG 3.49Å; E180-L184 PolarHBondContact O-N 3.31Å |
| 181 | V | 91.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 176.1 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | V126 L161 A165 Y169 A177 E178 L184 I185 | V126-V181 HydrophobicContact CG1-CG1 4.42Å; V126-V181 HydrophobicContact CG2-CG1 4.35Å; L161-V181 HydrophobicContact CB-CG1 4.35Å; L161-V181 HydrophobicContact CD2-CG1 3.8Å; A165-V181 HydrophobicContact CB-CB 4.48Å; A165-V181 HydrophobicContact CB-CG2 3.85Å; Y169-V181 HydrophobicContact CD2-CG2 4.43Å; Y169-V181 HydrophobicContact CE2-CG2 3.9Å; A177-V181 WeakPolarHBondContact O-CG2 3.29Å; A177-V181 PolarHBondContact O-N 3.38Å; E178-V181 PolarHBondContact O-N 3.47Å; E178-V181 VanDerWaalsContact O-N 3.14Å; V181-L184 WeakPolarHBondContact O-CB 3.49Å; V181-L184 PolarHBondContact O-N 3.11Å; V181-I185 HydrophobicContact CG1-CD1 3.88Å; V181-I185 WeakPolarHBondContact O-CD1 3.4Å; V181-I185 WeakPolarHBondContact O-CG1 3.35Å; V181-I185 PolarHBondContact O-N 3.28Å |
| 182 | F | 92 | Very high | 89.1 | Confident | 43 Ų | 43 | 67 Ų | 67 | 19% | 0.189 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 176.2 | -65.8 | -11 | 0 | 0 | 0 | 111.1 | L92 L161 E178 A179 L184 I185 E186 | L92-F182 HydrophobicContact CD1-CD1 4.35Å; L92-F182 HydrophobicContact CD2-CB 4.34Å; L92-F182 HydrophobicContact CD2-CD1 3.71Å; L92-F182 HydrophobicContact CD2-CD2 4.15Å; L92-F182 HydrophobicContact CD2-CE1 3.98Å; L92-F182 HydrophobicContact CD2-CE2 4.41Å; L92-F182 HydrophobicContact CD2-CG 3.8Å; L92-F182 HydrophobicContact CD2-CZ 4.33Å; L161-F182 HydrophobicContact CB-CD1 4.34Å; L161-F182 HydrophobicContact CB-CE1 3.69Å; L161-F182 HydrophobicContact CD1-CD1 3.67Å; L161-F182 HydrophobicContact CD1-CE1 3.54Å; L161-F182 HydrophobicContact CG-CE1 4.29Å; E178-F182 HydrophobicContact CB-CZ 4.45Å; E178-F182 WeakPolarHBondContact O-CD1 3.5Å; E178-F182 VanDerWaalsContact O-CG 3.3Å; E178-F182 WeakPolarHBondContact O-CG 3.35Å; E178-F182 PolarHBondContact O-N 2.91Å; A179-F182 PolarHBondContact O-N 3.16Å; F182-L184 PolarHBondContact O-N 3.05Å; F182-I185 PolarHBondContact O-N 3.48Å; F182-E186 VanDerWaalsContact O-CG 3.3Å; F182-E186 WeakPolarHBondContact O-CG 3.3Å; F182-E186 PolarHBondContact O-N 3.26Å |
| 183 | K | 92.3 | Very high | 89 | Confident | 152 Ų | 152 | 66.8 Ų | 66.8 | 66% | 0.661 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58.9 | -31.8 | 177.1 | -171.6 | 176.6 | -178.3 | 179.5 | 0 | 113.6 | A179 E180 I185 | A179-K183 WeakPolarHBondContact O-CB 3.44Å; A179-K183 PolarHBondContact O-N 3.21Å; E180-K183 PolarHBondContact O-N 3.24Å; K183-I185 VanDerWaalsContact C-N 3.3Å |
| 184 | L | 91.7 | Very high | 88.9 | Confident | 58 Ų | 58 | 66.9 Ų | 66.9 | 30% | 0.304 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.1 | -29.4 | 174.9 | -72.2 | 173.4 | 0 | 0 | 0 | 112.9 | E180 V181 F182 K188 | E180-L184 WeakPolarHBondContact O-CG 3.49Å; E180-L184 PolarHBondContact O-N 3.31Å; V181-L184 WeakPolarHBondContact O-CB 3.49Å; V181-L184 PolarHBondContact O-N 3.11Å; F182-L184 PolarHBondContact O-N 3.05Å; L184-K188 VanDerWaalsContact O-CG 3.27Å; L184-K188 WeakPolarHBondContact O-CG 3.48Å |
| 185 | I | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -95.5 | -35.4 | -173.5 | -62.2 | 162.5 | 0 | 0 | 0 | 111.3 | L92 S95 L120 C124 V126 F157 L161 V181 F182 K183 G187 K188 | L92-I185 HydrophobicContact CD1-CB 3.9Å; L92-I185 HydrophobicContact CD1-CG2 3.72Å; S95-I185 WeakPolarHBondContact CB-O 3.22Å; S95-I185 PolarHBondContact OG-O 3.29Å; L120-I185 HydrophobicContact CD1-CG2 4.19Å; L120-I185 HydrophobicContact CD2-CD1 3.82Å; L120-I185 HydrophobicContact CD2-CG1 3.95Å; L120-I185 HydrophobicContact CD2-CG2 4.1Å; L120-I185 HydrophobicContact CG-CG2 4.33Å; C124-I185 HydrophobicContact CB-CG1 3.8Å; V126-I185 HydrophobicContact CG2-CD1 4.1Å; V126-I185 HydrophobicContact CG2-CG1 4.15Å; F157-I185 HydrophobicContact CZ-CG2 4.5Å; L161-I185 HydrophobicContact CD1-CD1 3.66Å; L161-I185 HydrophobicContact CD2-CD1 3.37Å; L161-I185 HydrophobicContact CG-CD1 4.19Å; V181-I185 HydrophobicContact CG1-CD1 3.88Å; V181-I185 WeakPolarHBondContact O-CD1 3.4Å; V181-I185 WeakPolarHBondContact O-CG1 3.35Å; V181-I185 PolarHBondContact O-N 3.28Å; F182-I185 PolarHBondContact O-N 3.48Å; K183-I185 VanDerWaalsContact C-N 3.3Å; I185-G187 PolarHBondContact O-N 2.68Å; I185-K188 VanDerWaalsContact O-CB 3.27Å; I185-K188 WeakPolarHBondContact O-CB 3.38Å; I185-K188 WeakPolarHBondContact O-CG 3.29Å; I185-K188 PolarHBondContact O-N 3.28Å |
| 186 | E | 91.7 | Very high | 88.8 | Confident | 86 Ų | 86 | 68.5 Ų | 68.5 | 40% | 0.402 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 130.5 | -179.8 | -77.5 | 173.8 | -177.8 | 0 | 0 | 112.2 | A91 L92 F182 K188 | A91-E186 HydrophobicContact CB-CB 4.09Å; A91-E186 HydrophobicContact CB-CG 4.01Å; L92-E186 HydrophobicContact CB-CG 3.92Å; L92-E186 HydrophobicContact CD1-CG 4.49Å; F182-E186 VanDerWaalsContact O-CG 3.3Å; F182-E186 WeakPolarHBondContact O-CG 3.3Å; F182-E186 PolarHBondContact O-N 3.26Å; E186-K188 PolarHBondContact O-N 3.37Å |
| 187 | G | 88.1 | Confident | 88.2 | Confident | 47 Ų | 47 | 74.6 Ų | 74.6 | 49% | 0.485 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | S95 R98 I185 | S95-G187 PolarHBondContact OG-N 2.88Å; R98-G187 PolarHBondContact NH1-O 2.81Å; I185-G187 PolarHBondContact O-N 2.68Å |
| 188 | K | 91.6 | Very high | 87.6 | Confident | 104 Ų | 104 | 79.8 Ų | 79.8 | 45% | 0.452 | 47% | 0.473 | S | S | . | . | trans | -77.5 | 159.9 | 179.2 | -60.7 | -66.7 | -177.8 | 174.4 | 0 | 111.9 | F99 L184 I185 E186 | F99-K188 HydrophobicContact CE2-CB 4.36Å; L184-K188 VanDerWaalsContact O-CG 3.27Å; L184-K188 WeakPolarHBondContact O-CG 3.48Å; I185-K188 VanDerWaalsContact O-CB 3.27Å; I185-K188 WeakPolarHBondContact O-CB 3.38Å; I185-K188 WeakPolarHBondContact O-CG 3.29Å; I185-K188 PolarHBondContact O-N 3.28Å; E186-K188 PolarHBondContact O-N 3.37Å | ||
| 189 | A | 91.6 | Very high | 87.1 | Confident | 46 Ų | 46 | 82.7 Ų | 82.7 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | trans | -138 | 156.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | F99 V191 | F99-A189 VanDerWaalsContact CZ-C 3.43Å; A189-V191 PolarHBondContact O-N 3.21Å | ||
| 190 | P | 92.6 | Very high | 86.6 | Confident | 23 Ų | 23 | 84.4 Ų | 84.4 | 15% | 0.149 | 51% | 0.509 | C | S | . | . | trans | -54 | 122.2 | 177.3 | -23.7 | 30.6 | 0 | 0 | 0 | 112.2 | R98 F99 H102 I192 | R98-P190 WeakPolarHBondContact O-CG 3.25Å; F99-P190 HydrophobicContact CB-CG 4.41Å; F99-P190 HydrophobicContact CD1-CB 4.09Å; F99-P190 HydrophobicContact CD1-CG 3.64Å; F99-P190 HydrophobicContact CD2-CG 4.25Å; F99-P190 VanDerWaalsContact CE1-CA 3.49Å; F99-P190 HydrophobicContact CE1-CB 3.96Å; F99-P190 HydrophobicContact CE1-CG 3.89Å; F99-P190 HydrophobicContact CE2-CG 4.47Å; F99-P190 HydrophobicContact CG-CG 3.83Å; F99-P190 HydrophobicContact CZ-CG 4.3Å; H102-P190 HydrophobicContact CB-CB 4.21Å; H102-P190 HydrophobicContact CB-CG 3.78Å; H102-P190 WeakPolarHBondContact ND1-CB 3.41Å; P190-I192 PolarHBondContact O-N 2.83Å | ||
| 191 | V | 90.3 | Very high | 86.5 | Confident | 79 Ų | 79 | 82.7 Ų | 82.7 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | trans | -81 | 115.1 | 179 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | K119 D123 A189 A193 | K119-V191 PolarHBondContact NZ-O 2.9Å; D123-V191 HydrophobicContact CB-CG2 4.09Å; D123-V191 PolarHBondContact OD2-N 3.15Å; A189-V191 PolarHBondContact O-N 3.21Å; V191-A193 HydrophobicContact CG1-CB 4.46Å; V191-A193 PolarHBondContact O-N 2.98Å | ||
| 192 | I | 86.9 | Confident | 86.4 | Confident | 111 Ų | 111 | 88.1 Ų | 88.1 | 57% | 0.569 | 54% | 0.54 | S | S | * | . | trans | -96.3 | 86.4 | 175.5 | -57.4 | 164.7 | 0 | 0 | 0 | 107.6 | P190 V195 | P190-I192 PolarHBondContact O-N 2.83Å; I192-V195 HydrophobicContact CG2-CB 3.65Å; I192-V195 HydrophobicContact CG2-CG1 4.46Å; I192-V195 HydrophobicContact CG2-CG2 3.5Å | ||
| 193 | A | 81.5 | Confident | 86.3 | Confident | 84 Ų | 84 | 90 Ų | 90 | 69% | 0.694 | 56% | 0.555 | S | S | * | * | trans | -86.4 | 143.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V191 V195 | V191-A193 HydrophobicContact CG1-CB 4.46Å; V191-A193 PolarHBondContact O-N 2.98Å; A193-V195 VanDerWaalsContact C-N 3.29Å; A193-V195 PolarHBondContact O-N 2.98Å | ||
| 194 | G | 80.5 | Confident | 86.2 | Confident | 92 Ų | 92 | 86.2 Ų | 86.2 | 95% | 0.948 | 54% | 0.544 | S | S | * | . | S | Bend | trans | 74.7 | 9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 195 | V | 80.3 | Confident | 86.1 | Confident | 98 Ų | 98 | 86.8 Ų | 86.8 | 59% | 0.594 | 55% | 0.553 | S | S | * | * | trans | -105.1 | 130.6 | 177.3 | -172.2 | 0 | 0 | 0 | 0 | 110 | I192 A193 R197 | I192-V195 HydrophobicContact CG2-CB 3.65Å; I192-V195 HydrophobicContact CG2-CG1 4.46Å; I192-V195 HydrophobicContact CG2-CG2 3.5Å; A193-V195 VanDerWaalsContact C-N 3.29Å; A193-V195 PolarHBondContact O-N 2.98Å; V195-R197 PolarHBondContact O-N 2.78Å | ||
| 196 | T | 81.3 | Confident | 85.9 | Confident | 135 Ų | 135 | 94.9 Ų | 94.9 | 83% | 0.828 | 58% | 0.584 | S | S | * | * | trans | -62.5 | 118.9 | 169.2 | 35.2 | 0 | 0 | 0 | 0 | 109.8 | A198 | T196-A198 PolarHBondContact O-N 3.02Š| ||
| 197 | R | 75 | Confident | 85.8 | Confident | 227 Ų | 227 | 96.5 Ų | 96.5 | 86% | 0.857 | 59% | 0.594 | S | S | * | * | trans | -57.6 | 128.4 | 172.3 | -73.4 | 179 | 65.7 | -167 | 0.2 | 108.8 | V195 V199 | V195-R197 PolarHBondContact O-N 2.78Å; R197-V199 PolarHBondContact O-N 3.02Å | ||
| 198 | A | 76.9 | Confident | 85.9 | Confident | 109 Ų | 109 | 98.6 Ų | 98.6 | 90% | 0.901 | 60% | 0.598 | S | S | * | * | trans | -63.5 | 109.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | T196 | T196-A198 PolarHBondContact O-N 3.02Š| ||
| 199 | V | 79.6 | Confident | 85.8 | Confident | 117 Ų | 117 | 95.5 Ų | 95.5 | 71% | 0.709 | 59% | 0.586 | S | S | * | * | trans | -93 | 120.9 | 173.6 | 178.2 | 0 | 0 | 0 | 0 | 107.3 | R197 S201 | R197-V199 PolarHBondContact O-N 3.02Å; V199-S201 PolarHBondContact O-N 3.02Å | ||
| 200 | A | 79.9 | Confident | 85.9 | Confident | 91 Ų | 91 | 94.5 Ų | 94.5 | 75% | 0.752 | 58% | 0.576 | S | S | * | * | trans | -69.4 | 82.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 201 | S | 88.1 | Confident | 85.7 | Confident | 35 Ų | 35 | 98.3 Ų | 98.3 | 25% | 0.245 | 60% | 0.599 | C | S | . | * | trans | -65.1 | 146.3 | 178.2 | 70.7 | 0 | 0 | 0 | 0 | 109.7 | V199 T203 V204 S205 | V199-S201 PolarHBondContact O-N 3.02Å; S201-T203 PolarHBondContact O-N 3.23Å; S201-T203 VanDerWaalsContact O-N 3.14Å; S201-V204 PolarHBondContact O-N 3.12Å; S201-V204 WeakPolarHBondContact OG-CB 3.49Å; S201-V204 WeakPolarHBondContact OG-CG2 3.45Å; S201-V204 PolarHBondContact OG-N 2.8Å; S201-V204 VanDerWaalsContact OG-N 3.1Å; S201-S205 PolarHBondContact O-N 3.43Å | ||
| 202 | P | 89.8 | Confident | 85.7 | Confident | 114 Ų | 114 | 100.8 Ų | 100.8 | 74% | 0.74 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -54 | -34.6 | 175.3 | -26.8 | 34.5 | 0 | 0 | 0 | 112.4 | R206 | P202-R206 WeakPolarHBondContact O-CB 3.19Å; P202-R206 PolarHBondContact O-N 3.4Å |
| 203 | T | 89.8 | Confident | 86 | Confident | 81 Ų | 81 | 98 Ų | 98 | 50% | 0.497 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.9 | -49.8 | 175.7 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | S201 R206 L207 | S201-T203 PolarHBondContact O-N 3.23Å; S201-T203 VanDerWaalsContact O-N 3.14Å; T203-R206 PolarHBondContact O-N 3.38Å; T203-L207 HydrophobicContact CG2-CD1 4.01Å; T203-L207 VanDerWaalsContact O-CG 3.28Å; T203-L207 WeakPolarHBondContact O-CG 3.43Å; T203-L207 PolarHBondContact O-N 2.94Å |
| 204 | V | 90.1 | Very high | 86.5 | Confident | 73 Ų | 73 | 99.5 Ų | 99.5 | 44% | 0.442 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.3 | -44.5 | 178 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | S201 R206 L207 T208 | S201-V204 PolarHBondContact O-N 3.12Å; S201-V204 WeakPolarHBondContact OG-CB 3.49Å; S201-V204 WeakPolarHBondContact OG-CG2 3.45Å; S201-V204 PolarHBondContact OG-N 2.8Å; S201-V204 VanDerWaalsContact OG-N 3.1Å; V204-R206 VanDerWaalsContact C-N 3.32Å; V204-R206 PolarHBondContact O-N 2.77Å; V204-L207 CarbonylContact O-C 3.59Å; V204-L207 PolarHBondContact O-N 3.07Å; V204-T208 HydrophobicContact CG1-CG2 4.07Å; V204-T208 WeakPolarHBondContact O-CG2 3.34Å; V204-T208 PolarHBondContact O-N 2.93Å; V204-T208 PolarHBondContact O-OG1 2.83Å |
| 205 | S | 89.5 | Confident | 86.9 | Confident | 71 Ų | 71 | 98 Ų | 98 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -54.2 | -47.5 | 176.5 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | S201 L207 T208 D209 | S201-S205 PolarHBondContact O-N 3.43Å; S205-L207 VanDerWaalsContact C-N 3.34Å; S205-L207 PolarHBondContact O-N 2.67Å; S205-T208 PolarHBondContact O-N 3.1Å; S205-D209 WeakPolarHBondContact O-CB 3.41Å; S205-D209 PolarHBondContact O-N 3.48Å; S205-D209 VanDerWaalsContact O-N 3.08Å |
| 206 | R | 89.6 | Confident | 87.3 | Confident | 170 Ų | 170 | 97.7 Ų | 97.7 | 64% | 0.642 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.9 | -36.3 | 176.2 | -175.9 | 173.1 | 62.9 | 149.7 | -0.9 | 113.2 | P202 T203 V204 | P202-R206 WeakPolarHBondContact O-CB 3.19Å; P202-R206 PolarHBondContact O-N 3.4Å; T203-R206 PolarHBondContact O-N 3.38Å; V204-R206 VanDerWaalsContact C-N 3.32Å; V204-R206 PolarHBondContact O-N 2.77Å |
| 207 | L | 89.1 | Confident | 87.7 | Confident | 119 Ų | 119 | 95 Ų | 95 | 62% | 0.623 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -77.8 | -22.5 | -179.3 | -69.1 | 172.8 | 0 | 0 | 0 | 113.3 | T203 V204 S205 | T203-L207 HydrophobicContact CG2-CD1 4.01Å; T203-L207 VanDerWaalsContact O-CG 3.28Å; T203-L207 WeakPolarHBondContact O-CG 3.43Å; T203-L207 PolarHBondContact O-N 2.94Å; V204-L207 CarbonylContact O-C 3.59Å; V204-L207 PolarHBondContact O-N 3.07Å; S205-L207 VanDerWaalsContact C-N 3.34Å; S205-L207 PolarHBondContact O-N 2.67Å |
| 208 | T | 89.3 | Confident | 88.6 | Confident | 91 Ų | 91 | 89.9 Ų | 89.9 | 56% | 0.558 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -106.9 | 0.1 | -177.9 | 60.2 | 0 | 0 | 0 | 0 | 114.3 | V204 S205 T210 | V204-T208 HydrophobicContact CG1-CG2 4.07Å; V204-T208 WeakPolarHBondContact O-CG2 3.34Å; V204-T208 PolarHBondContact O-N 2.93Å; V204-T208 PolarHBondContact O-OG1 2.83Å; S205-T208 PolarHBondContact O-N 3.1Å; T208-T210 PolarHBondContact O-N 2.93Å; T208-T210 VanDerWaalsContact O-N 3.15Å |
| 209 | D | 91.1 | Very high | 89.2 | Confident | 39 Ų | 39 | 89.9 Ų | 89.9 | 21% | 0.209 | 52% | 0.517 | C | S | . | . | trans | -74.5 | 100.1 | 178.1 | -179.9 | 2.8 | 0 | 0 | 0 | 111.2 | S205 T211 K212 | S205-D209 WeakPolarHBondContact O-CB 3.41Å; S205-D209 PolarHBondContact O-N 3.48Å; S205-D209 VanDerWaalsContact O-N 3.08Å; D209-T211 PolarHBondContact O-N 3.15Å; D209-T211 WeakPolarHBondContact OD1-CB 3.46Å; D209-T211 PolarHBondContact OD1-N 3.03Å; D209-T211 PolarHBondContact OD1-OG1 3.48Å; D209-T211 PolarHBondContact OD2-OG1 3.34Å; D209-K212 HydrophobicContact CB-CD 4.36Å; D209-K212 PolarHBondContact O-N 3.29Å; D209-K212 VanDerWaalsContact OD2-CD 3.28Å; D209-K212 WeakPolarHBondContact OD2-CD 3.48Å; D209-K212 WeakPolarHBondContact OD2-CE 3.22Å; D209-K212 WeakPolarHBondContact OD2-CG 3.23Å; D209-K212 IonicContact OD2-NZ 3.29Å; D209-K212 PolarHBondContact OD2-NZ 3.48Å | ||
| 210 | T | 91.9 | Very high | 89.8 | Confident | 25 Ų | 25 | 88.7 Ų | 88.7 | 15% | 0.153 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -68.2 | -18.7 | -178.9 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | T208 K212 F213 F221 G225 | T208-T210 PolarHBondContact O-N 2.93Å; T208-T210 VanDerWaalsContact O-N 3.15Å; T210-K212 PolarHBondContact O-N 3.15Å; T210-F213 HydrophobicContact CG2-CD2 4.11Å; T210-F213 HydrophobicContact CG2-CE2 3.72Å; T210-F213 WeakPolarHBondContact O-CB 3.47Å; T210-F213 PolarHBondContact O-N 3.32Å; T210-F221 HydrophobicContact CG2-CB 4.29Å; T210-F221 HydrophobicContact CG2-CD1 3.69Å; T210-F221 HydrophobicContact CG2-CD2 4.3Å; T210-F221 HydrophobicContact CG2-CE1 4.05Å; T210-F221 HydrophobicContact CG2-CG 3.82Å; T210-G225 WeakPolarHBondContact OG1-CA 3.05Å |
| 211 | T | 90.2 | Very high | 90.4 | Very high | 103 Ų | 103 | 86.8 Ų | 86.8 | 63% | 0.632 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -70 | -25.1 | -179 | 72.1 | 0 | 0 | 0 | 0 | 112.1 | D209 F213 | D209-T211 PolarHBondContact O-N 3.15Å; D209-T211 WeakPolarHBondContact OD1-CB 3.46Å; D209-T211 PolarHBondContact OD1-N 3.03Å; D209-T211 PolarHBondContact OD1-OG1 3.48Å; D209-T211 PolarHBondContact OD2-OG1 3.34Å; T211-F213 VanDerWaalsContact C-N 3.31Å |
| 212 | K | 90.5 | Very high | 90.6 | Very high | 132 Ų | 132 | 87.9 Ų | 87.9 | 57% | 0.574 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -83 | -6.3 | 176.6 | -68.3 | 176.5 | -178.2 | 156 | 0 | 113.5 | D209 T210 | D209-K212 HydrophobicContact CB-CD 4.36Å; D209-K212 PolarHBondContact O-N 3.29Å; D209-K212 VanDerWaalsContact OD2-CD 3.28Å; D209-K212 WeakPolarHBondContact OD2-CD 3.48Å; D209-K212 WeakPolarHBondContact OD2-CE 3.22Å; D209-K212 WeakPolarHBondContact OD2-CG 3.23Å; D209-K212 IonicContact OD2-NZ 3.29Å; D209-K212 PolarHBondContact OD2-NZ 3.48Å; T210-K212 PolarHBondContact O-N 3.15Å |
| 213 | F | 91.7 | Very high | 90.5 | Very high | 51 Ų | 51 | 92 Ų | 92 | 22% | 0.224 | 49% | 0.488 | C | S | . | . | trans | -72.2 | 136.8 | 175.3 | -61.1 | -20.4 | 0 | 0 | 0 | 110.5 | T210 T211 H217 K218 F221 | T210-F213 HydrophobicContact CG2-CD2 4.11Å; T210-F213 HydrophobicContact CG2-CE2 3.72Å; T210-F213 WeakPolarHBondContact O-CB 3.47Å; T210-F213 PolarHBondContact O-N 3.32Å; T211-F213 VanDerWaalsContact C-N 3.31Å; F213-H217 HydrophobicContact CB-CB 4.42Å; F213-H217 AromaticContact CD1-ND1 3.84Å; F213-H217 AromaticContact CD2-CE1 3.41Å; F213-H217 VanDerWaalsContact CD2-CE1 3.41Å; F213-H217 WeakPolarHBondContact CD2-CE1 3.4Å; F213-H217 AromaticContact CD2-ND1 3.05Å; F213-H217 WeakPolarHBondContact CD2-ND1 3.3Å; F213-H217 AromaticContact CE2-CE1 3.34Å; F213-H217 WeakPolarHBondContact CE2-CE1 3.13Å; F213-H217 AromaticContact CE2-ND1 3.53Å; F213-H217 AromaticContact CG-CE1 3.91Å; F213-H217 AromaticContact CG-ND1 3.23Å; F213-H217 WeakPolarHBondContact CG-ND1 3.41Å; F213-H217 AromaticContact CZ-CE1 3.82Å; F213-K218 WeakPolarHBondContact O-CB 3.45Å; F213-F221 AromaticContact CD2-CD2 3.71Å; F213-F221 HydrophobicContact CD2-CD2 3.71Å; F213-F221 AromaticContact CD2-CE2 3.54Å; F213-F221 HydrophobicContact CD2-CE2 3.54Å; F213-F221 HydrophobicContact CD2-CZ 4.29Å; F213-F221 HydrophobicContact CE2-CD2 4.08Å; F213-F221 AromaticContact CE2-CE2 3.58Å; F213-F221 HydrophobicContact CE2-CE2 3.58Å; F213-F221 AromaticContact CE2-CZ 3.86Å; F213-F221 HydrophobicContact CE2-CZ 3.86Å | ||
| 214 | T | 92.4 | Very high | 90.4 | Very high | 117 Ų | 117 | 93.2 Ų | 93.2 | 72% | 0.718 | 50% | 0.495 | S | S | * | . | trans | -118.2 | 168.7 | -178.7 | 61.2 | 0 | 0 | 0 | 0 | 110.9 | H217 | T214-H217 PolarHBondContact O-N 3.2Š| ||
| 215 | G | 90.1 | Very high | 90.3 | Very high | 59 Ų | 59 | 90.8 Ų | 90.8 | 61% | 0.608 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | 57.4 | -145.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H217 K218 | G215-H217 PolarHBondContact O-N 2.82Å; G215-H217 VanDerWaalsContact O-N 3.16Å; G215-K218 WeakPolarHBondContact O-CB 3.28Å; G215-K218 PolarHBondContact O-N 3.03Å; G215-K218 VanDerWaalsContact O-N 3.11Å |
| 216 | S | 88.3 | Confident | 90.3 | Very high | 93 Ų | 93 | 93 Ų | 93 | 65% | 0.65 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.4 | -19.6 | -179.1 | 62.8 | 0 | 0 | 0 | 0 | 114 | K218 E219 | S216-K218 VanDerWaalsContact C-N 3.34Å; S216-E219 PolarHBondContact O-N 2.78Å |
| 217 | H | 90.1 | Very high | 90.5 | Very high | 78 Ų | 78 | 87.3 Ų | 87.3 | 36% | 0.361 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.9 | -31.8 | 176.3 | -159.2 | -100.2 | 0 | 0 | 0 | 111.7 | F213 T214 G215 E219 R220 F221 | F213-H217 HydrophobicContact CB-CB 4.42Å; F213-H217 AromaticContact CD1-ND1 3.84Å; F213-H217 AromaticContact CD2-CE1 3.41Å; F213-H217 VanDerWaalsContact CD2-CE1 3.41Å; F213-H217 WeakPolarHBondContact CD2-CE1 3.4Å; F213-H217 AromaticContact CD2-ND1 3.05Å; F213-H217 WeakPolarHBondContact CD2-ND1 3.3Å; F213-H217 AromaticContact CE2-CE1 3.34Å; F213-H217 WeakPolarHBondContact CE2-CE1 3.13Å; F213-H217 AromaticContact CE2-ND1 3.53Å; F213-H217 AromaticContact CG-CE1 3.91Å; F213-H217 AromaticContact CG-ND1 3.23Å; F213-H217 WeakPolarHBondContact CG-ND1 3.41Å; F213-H217 AromaticContact CZ-CE1 3.82Å; T214-H217 PolarHBondContact O-N 3.2Å; G215-H217 PolarHBondContact O-N 2.82Å; G215-H217 VanDerWaalsContact O-N 3.16Å; H217-E219 VanDerWaalsContact C-N 3.32Å; H217-E219 PolarHBondContact O-N 2.89Å; H217-R220 WeakPolarHBondContact O-CB 3.3Å; H217-R220 PolarHBondContact O-N 3.36Å; H217-F221 AromaticContact CE1-CE2 3.46Å; H217-F221 VanDerWaalsContact CE1-CE2 3.46Å; H217-F221 WeakPolarHBondContact CE1-CE2 3.04Å; H217-F221 AromaticContact CE1-CZ 3.98Å; H217-F221 AromaticContact ND1-CE2 3.72Å; H217-F221 VanDerWaalsContact O-CD2 3.3Å; H217-F221 WeakPolarHBondContact O-CD2 3.24Å |
| 218 | K | 92 | Very high | 90.5 | Very high | 120 Ų | 120 | 86 Ų | 86 | 52% | 0.522 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 174.1 | -168.5 | 176.6 | 178.1 | 178.5 | 0 | 111.7 | F213 G215 S216 R220 F221 | F213-K218 WeakPolarHBondContact O-CB 3.45Å; G215-K218 WeakPolarHBondContact O-CB 3.28Å; G215-K218 PolarHBondContact O-N 3.03Å; G215-K218 VanDerWaalsContact O-N 3.11Å; S216-K218 VanDerWaalsContact C-N 3.34Å; K218-R220 PolarHBondContact O-N 3.44Å; K218-R220 VanDerWaalsContact O-N 3.15Å; K218-F221 PolarHBondContact O-N 2.98Å |
| 219 | E | 90.9 | Very high | 90.6 | Very high | 108 Ų | 108 | 83.3 Ų | 83.3 | 51% | 0.505 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.6 | -20.8 | -178.9 | -65.9 | -51.8 | 137.1 | 0 | 0 | 113.4 | S216 H217 F221 K228 G232 | S216-E219 PolarHBondContact O-N 2.78Å; H217-E219 VanDerWaalsContact C-N 3.32Å; H217-E219 PolarHBondContact O-N 2.89Å; E219-F221 PolarHBondContact O-N 3.16Å; E219-K228 WeakPolarHBondContact O-CD 3.33Å; E219-K228 PolarHBondContact O-NZ 2.66Å; E219-K228 IonicContact OE2-NZ 2.75Å; E219-G232 CarbonylContact C-O 3.45Å; E219-G232 WeakPolarHBondContact O-CA 3.14Å |
| 220 | R | 91.8 | Very high | 90.4 | Very high | 92 Ų | 92 | 89.1 Ų | 89.1 | 35% | 0.347 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -18 | 179.2 | -65.1 | 175 | -179.9 | -137.7 | -4.9 | 113.6 | H217 K218 G227 K228 G232 R233 | H217-R220 WeakPolarHBondContact O-CB 3.3Å; H217-R220 PolarHBondContact O-N 3.36Å; K218-R220 PolarHBondContact O-N 3.44Å; K218-R220 VanDerWaalsContact O-N 3.15Å; R220-G227 CarbonylContact O-C 3.49Å; R220-G227 VanDerWaalsContact O-CA 3.25Å; R220-G227 WeakPolarHBondContact O-CA 3.36Å; R220-K228 PolarHBondContact O-N 3.14Å; R220-G232 WeakPolarHBondContact CA-O 3.34Å; R220-G232 WeakPolarHBondContact CG-O 2.99Å; R220-G232 PolarHBondContact N-O 3.08Å; R220-R233 HydrophobicContact CG-CG 4.24Å |
| 221 | F | 93.3 | Very high | 90.1 | Very high | 51 Ų | 51 | 91.4 Ų | 91.4 | 22% | 0.224 | 50% | 0.501 | C | S | . | . | B | Isolated β-bridge | trans | -119.4 | 151.2 | -174.9 | -57.2 | -89.2 | 0 | 0 | 0 | 111.8 | T210 F213 H217 K218 E219 G225 R226 K228 | T210-F221 HydrophobicContact CG2-CB 4.29Å; T210-F221 HydrophobicContact CG2-CD1 3.69Å; T210-F221 HydrophobicContact CG2-CD2 4.3Å; T210-F221 HydrophobicContact CG2-CE1 4.05Å; T210-F221 HydrophobicContact CG2-CG 3.82Å; F213-F221 AromaticContact CD2-CD2 3.71Å; F213-F221 HydrophobicContact CD2-CD2 3.71Å; F213-F221 AromaticContact CD2-CE2 3.54Å; F213-F221 HydrophobicContact CD2-CE2 3.54Å; F213-F221 HydrophobicContact CD2-CZ 4.29Å; F213-F221 HydrophobicContact CE2-CD2 4.08Å; F213-F221 AromaticContact CE2-CE2 3.58Å; F213-F221 HydrophobicContact CE2-CE2 3.58Å; F213-F221 AromaticContact CE2-CZ 3.86Å; F213-F221 HydrophobicContact CE2-CZ 3.86Å; H217-F221 AromaticContact CE1-CE2 3.46Å; H217-F221 VanDerWaalsContact CE1-CE2 3.46Å; H217-F221 WeakPolarHBondContact CE1-CE2 3.04Å; H217-F221 AromaticContact CE1-CZ 3.98Å; H217-F221 AromaticContact ND1-CE2 3.72Å; H217-F221 VanDerWaalsContact O-CD2 3.3Å; H217-F221 WeakPolarHBondContact O-CD2 3.24Å; K218-F221 PolarHBondContact O-N 2.98Å; E219-F221 PolarHBondContact O-N 3.16Å; F221-G225 WeakPolarHBondContact CD1-O 3.42Å; F221-R226 CarbonylContact C-O 3.58Å; F221-R226 VanDerWaalsContact CA-O 3.28Å; F221-R226 WeakPolarHBondContact CA-O 3.47Å; F221-K228 WeakPolarHBondContact O-CE 3.38Å; F221-K228 PolarHBondContact O-NZ 3.24Å |
| 222 | D | 90.6 | Very high | 90 | Very high | 58 Ų | 58 | 87 Ų | 87 | 31% | 0.31 | 48% | 0.476 | S | S | . | . | trans | -83.8 | 176.3 | 168.4 | 69.9 | 17.5 | 0 | 0 | 0 | 111.3 | T224 G225 R226 K228 | D222-T224 VanDerWaalsContact CG-OG1 3.28Å; D222-T224 PolarHBondContact O-N 2.97Å; D222-T224 VanDerWaalsContact O-N 3.16Å; D222-T224 VanDerWaalsContact OD1-CA 3.3Å; D222-T224 WeakPolarHBondContact OD1-CA 3.28Å; D222-T224 WeakPolarHBondContact OD1-CB 3.1Å; D222-T224 PolarHBondContact OD1-N 3.04Å; D222-T224 PolarHBondContact OD1-OG1 3.15Å; D222-T224 PolarHBondContact OD2-OG1 2.75Å; D222-G225 PolarHBondContact O-N 3.42Å; D222-G225 PolarHBondContact OD1-N 3.03Å; D222-R226 PolarHBondContact N-O 3.06Å; D222-R226 PolarHBondContact OD1-N 3.34Å; D222-K228 HydrophobicContact CB-CG 4.2Å | ||
| 223 | Q | 87.7 | Confident | 89.8 | Confident | 202 Ų | 202 | 87.9 Ų | 87.9 | 94% | 0.944 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19.5 | 179.5 | -64.8 | 176.7 | 2.7 | 0 | 0 | 113 | G225 | Q223-G225 VanDerWaalsContact C-N 3.31Š|
| 224 | T | 88.3 | Confident | 89.4 | Confident | 105 Ų | 105 | 88.8 Ų | 88.8 | 64% | 0.644 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 0.2 | 176.3 | 75.6 | 0 | 0 | 0 | 0 | 112.8 | D222 R226 | D222-T224 VanDerWaalsContact CG-OG1 3.28Å; D222-T224 PolarHBondContact O-N 2.97Å; D222-T224 VanDerWaalsContact O-N 3.16Å; D222-T224 VanDerWaalsContact OD1-CA 3.3Å; D222-T224 WeakPolarHBondContact OD1-CA 3.28Å; D222-T224 WeakPolarHBondContact OD1-CB 3.1Å; D222-T224 PolarHBondContact OD1-N 3.04Å; D222-T224 PolarHBondContact OD1-OG1 3.15Å; D222-T224 PolarHBondContact OD2-OG1 2.75Å; T224-R226 VanDerWaalsContact C-N 3.31Å; T224-R226 WeakPolarHBondContact OG1-CG 3.4Å |
| 225 | G | 88.3 | Confident | 88.8 | Confident | 23 Ų | 23 | 89.9 Ų | 89.9 | 24% | 0.237 | 49% | 0.486 | C | S | . | . | S | Bend | trans | 76.7 | 12 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T210 F221 D222 Q223 | T210-G225 WeakPolarHBondContact OG1-CA 3.05Å; F221-G225 WeakPolarHBondContact CD1-O 3.42Å; D222-G225 PolarHBondContact O-N 3.42Å; D222-G225 PolarHBondContact OD1-N 3.03Å; Q223-G225 VanDerWaalsContact C-N 3.31Å |
| 226 | R | 89.9 | Confident | 88 | Confident | 116 Ų | 116 | 93.4 Ų | 93.4 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | trans | -85.7 | 142.8 | 172.7 | -65.3 | 179.7 | 179.1 | -177 | 0.5 | 110.2 | F221 D222 T224 K228 | F221-R226 CarbonylContact C-O 3.58Å; F221-R226 VanDerWaalsContact CA-O 3.28Å; F221-R226 WeakPolarHBondContact CA-O 3.47Å; D222-R226 PolarHBondContact N-O 3.06Å; D222-R226 PolarHBondContact OD1-N 3.34Å; T224-R226 VanDerWaalsContact C-N 3.31Å; T224-R226 WeakPolarHBondContact OG1-CG 3.4Å; R226-K228 PolarHBondContact O-N 3.01Å | ||
| 227 | G | 92.3 | Very high | 87.4 | Confident | 52 Ų | 52 | 94.1 Ų | 94.1 | 54% | 0.536 | 49% | 0.491 | S | S | . | . | B | Isolated β-bridge | trans | -66.5 | 130 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R220 G229 | R220-G227 CarbonylContact O-C 3.49Å; R220-G227 VanDerWaalsContact O-CA 3.25Å; R220-G227 WeakPolarHBondContact O-CA 3.36Å; G227-G229 PolarHBondContact O-N 3.37Å; G227-G229 VanDerWaalsContact O-N 3.12Å |
| 228 | K | 90.8 | Very high | 86.7 | Confident | 92 Ų | 92 | 94.9 Ų | 94.9 | 40% | 0.4 | 50% | 0.498 | S | S | . | . | trans | -72.7 | 6.7 | 175 | -65.4 | -175.7 | -173.5 | 145.3 | 0 | 114.2 | E219 R220 F221 D222 R226 K230 A231 | E219-K228 WeakPolarHBondContact O-CD 3.33Å; E219-K228 PolarHBondContact O-NZ 2.66Å; E219-K228 IonicContact OE2-NZ 2.75Å; R220-K228 PolarHBondContact O-N 3.14Å; F221-K228 WeakPolarHBondContact O-CE 3.38Å; F221-K228 PolarHBondContact O-NZ 3.24Å; D222-K228 HydrophobicContact CB-CG 4.2Å; R226-K228 PolarHBondContact O-N 3.01Å; K228-K230 PolarHBondContact O-N 3.16Å; K228-A231 PolarHBondContact O-N 3.28Å | ||
| 229 | G | 90.4 | Very high | 86 | Confident | 33 Ų | 33 | 95.7 Ų | 95.7 | 34% | 0.34 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | -130.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G227 R233 | G227-G229 PolarHBondContact O-N 3.37Å; G227-G229 VanDerWaalsContact O-N 3.12Å; G229-R233 VanDerWaalsContact C-NH1 3.34Å; G229-R233 PolarHBondContact O-NH1 2.89Å |
| 230 | K | 86.3 | Confident | 85.3 | Confident | 161 Ų | 161 | 93.1 Ų | 93.1 | 70% | 0.7 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -38.9 | -179.1 | -171.7 | 177.4 | 179.8 | -177.8 | 0 | 112.2 | K228 G232 R233 V234 | K228-K230 PolarHBondContact O-N 3.16Å; K230-G232 PolarHBondContact O-N 3.39Å; K230-R233 PolarHBondContact O-N 3.36Å; K230-V234 HydrophobicContact CG-CB 4.46Å; K230-V234 HydrophobicContact CG-CG2 4Å; K230-V234 PolarHBondContact O-N 3.33Å |
| 231 | A | 86.5 | Confident | 84.4 | Confident | 74 Ų | 74 | 92.3 Ų | 92.3 | 61% | 0.612 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K228 | K228-A231 PolarHBondContact O-N 3.28Š|
| 232 | G | 87.2 | Confident | 83.5 | Confident | 9 Ų | 9 | 93 Ų | 93 | 9% | 0.093 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 0.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | E219 R220 K230 | E219-G232 CarbonylContact C-O 3.45Å; E219-G232 WeakPolarHBondContact O-CA 3.14Å; R220-G232 WeakPolarHBondContact CA-O 3.34Å; R220-G232 WeakPolarHBondContact CG-O 2.99Å; R220-G232 PolarHBondContact N-O 3.08Å; K230-G232 PolarHBondContact O-N 3.39Å |
| 233 | R | 86.1 | Confident | 83 | Confident | 152 Ų | 152 | 95.2 Ų | 95.2 | 57% | 0.574 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | -25.9 | -177.7 | -71.1 | -177.6 | -179.4 | 82.3 | -6.3 | 113.4 | R220 G229 K230 | R220-R233 HydrophobicContact CG-CG 4.24Å; G229-R233 VanDerWaalsContact C-NH1 3.34Å; G229-R233 PolarHBondContact O-NH1 2.89Å; K230-R233 PolarHBondContact O-N 3.36Å |
| 234 | V | 85.3 | Confident | 82.2 | Confident | 70 Ų | 70 | 92 Ų | 92 | 42% | 0.424 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -119 | 126.5 | -175.3 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | K230 L236 | K230-V234 HydrophobicContact CG-CB 4.46Å; K230-V234 HydrophobicContact CG-CG2 4Å; K230-V234 PolarHBondContact O-N 3.33Å; V234-L236 PolarHBondContact O-N 2.93Å |
| 235 | D | 79 | Confident | 81.6 | Confident | 139 Ų | 139 | 89.9 Ų | 89.9 | 74% | 0.743 | 54% | 0.542 | S | S | * | . | trans | -73 | 113.8 | 166.8 | -171.5 | 17.5 | 0 | 0 | 0 | 108.4 | V237 | D235-V237 VanDerWaalsContact C-N 3.3Å; D235-V237 PolarHBondContact O-N 3.48Å | ||
| 236 | L | 73.1 | Confident | 81 | Confident | 133 Ų | 133 | 95.2 Ų | 95.2 | 70% | 0.696 | 56% | 0.556 | S | S | * | * | trans | -79.8 | 87.6 | 176.5 | -69.2 | 176 | 0 | 0 | 0 | 107.7 | V234 D238 | V234-L236 PolarHBondContact O-N 2.93Å; L236-D238 PolarHBondContact O-N 3.21Å | ||
| 237 | V | 75.7 | Confident | 80.4 | Confident | 108 Ų | 108 | 98.8 Ų | 98.8 | 66% | 0.655 | 58% | 0.575 | S | S | * | * | trans | -62.2 | 130.7 | 170.8 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | D235 T239 | D235-V237 VanDerWaalsContact C-N 3.3Å; D235-V237 PolarHBondContact O-N 3.48Å; V237-T239 PolarHBondContact O-N 3.39Å | ||
| 238 | D | 74.6 | Confident | 79.5 | Confident | 95 Ų | 95 | 101.3 Ų | 101.3 | 51% | 0.508 | 57% | 0.573 | S | S | . | * | trans | -62.6 | 109.7 | 174.9 | -178.7 | 10.8 | 0 | 0 | 0 | 109.9 | L236 S240 | L236-D238 PolarHBondContact O-N 3.21Å; D238-S240 PolarHBondContact O-N 3.11Å; D238-S240 WeakPolarHBondContact OD1-CB 2.88Å; D238-S240 PolarHBondContact OD1-N 2.6Å; D238-S240 PolarHBondContact OD1-OG 3.31Å; D238-S240 PolarHBondContact OD2-OG 2.97Å | ||
| 239 | T | 77.3 | Confident | 78.6 | Confident | 136 Ų | 136 | 104.3 Ų | 104.3 | 83% | 0.834 | 58% | 0.582 | S | S | * | * | trans | -83 | 9.7 | 178.4 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | V237 G241 | V237-T239 PolarHBondContact O-N 3.39Å; T239-G241 PolarHBondContact O-N 2.99Å | ||
| 240 | S | 76.2 | Confident | 77.7 | Confident | 55 Ų | 55 | 105.5 Ų | 105.5 | 39% | 0.385 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -66.7 | 3.2 | -179.5 | 73.7 | 0 | 0 | 0 | 0 | 114.6 | D238 Y242 | D238-S240 PolarHBondContact O-N 3.11Å; D238-S240 WeakPolarHBondContact OD1-CB 2.88Å; D238-S240 PolarHBondContact OD1-N 2.6Å; D238-S240 PolarHBondContact OD1-OG 3.31Å; D238-S240 PolarHBondContact OD2-OG 2.97Å; S240-Y242 PolarHBondContact O-N 2.8Å; S240-Y242 VanDerWaalsContact O-N 3.15Å; S240-Y242 VanDerWaalsContact OG-CB 3.24Å; S240-Y242 WeakPolarHBondContact OG-CB 3.39Å |
| 241 | G | 73.6 | Confident | 77.1 | Confident | 74 Ų | 74 | 100.6 Ų | 100.6 | 76% | 0.763 | 58% | 0.577 | S | S | * | * | trans | 68.8 | 5.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T239 | T239-G241 PolarHBondContact O-N 2.99Š| ||
| 242 | Y | 74.6 | Confident | 76.2 | Confident | 66 Ų | 66 | 105.8 Ų | 105.8 | 26% | 0.259 | 58% | 0.582 | S | S | . | * | trans | -85.8 | 126.2 | -174 | -170.2 | -99.4 | 0 | 0 | 0 | 110.2 | S240 S244 Y246 H248 R249 | S240-Y242 PolarHBondContact O-N 2.8Å; S240-Y242 VanDerWaalsContact O-N 3.15Å; S240-Y242 VanDerWaalsContact OG-CB 3.24Å; S240-Y242 WeakPolarHBondContact OG-CB 3.39Å; Y242-S244 PolarHBondContact O-N 2.73Å; Y242-Y246 WeakPolarHBondContact CE1-O 3.21Å; Y242-Y246 AromaticContact CE2-CD1 3.73Å; Y242-Y246 HydrophobicContact CE2-CD1 3.73Å; Y242-Y246 HydrophobicContact CE2-CE1 4.46Å; Y242-Y246 AromaticContact CZ-CD1 3.51Å; Y242-Y246 VanDerWaalsContact CZ-O 3.25Å; Y242-Y246 WeakPolarHBondContact OH-CD1 3.49Å; Y242-Y246 PolarHBondContact OH-O 3.33Å; Y242-H248 PolarHBondContact OH-N 3.14Å; Y242-R249 HydrophobicContact CD1-CB 4.34Å; Y242-R249 HydrophobicContact CD1-CG 4.08Å; Y242-R249 HydrophobicContact CD2-CG 3.93Å; Y242-R249 HydrophobicContact CE1-CB 3.61Å; Y242-R249 HydrophobicContact CE1-CG 3.83Å; Y242-R249 HydrophobicContact CE2-CB 3.85Å; Y242-R249 HydrophobicContact CE2-CG 3.69Å; Y242-R249 HydrophobicContact CG-CG 4.12Å; Y242-R249 WeakPolarHBondContact OH-CA 3.08Å; Y242-R249 WeakPolarHBondContact OH-CB 3.28Å; Y242-R249 PolarHBondContact OH-N 3.24Å | ||
| 243 | V | 79.4 | Confident | 75.2 | Confident | 104 Ų | 104 | 112.6 Ų | 112.6 | 63% | 0.63 | 61% | 0.612 | S | S | * | * | trans | -62.9 | 125.2 | -173 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | G245 Y246 | V243-G245 PolarHBondContact O-N 3.27Å; V243-Y246 PolarHBondContact O-N 3.29Å | ||
| 244 | S | 71.8 | Confident | 74.2 | Confident | 134 Ų | 134 | 114.1 Ų | 114.1 | 94% | 0.937 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -18.1 | -171.8 | 71.6 | 0 | 0 | 0 | 0 | 115 | Y242 | Y242-S244 PolarHBondContact O-N 2.73Š|
| 245 | G | 75.4 | Confident | 73.2 | Confident | 61 Ų | 61 | 118.8 Ų | 118.8 | 63% | 0.629 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -10.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | V243 | V243-G245 PolarHBondContact O-N 3.27Š|
| 246 | Y | 76.4 | Confident | 72.5 | Confident | 135 Ų | 135 | 116.7 Ų | 116.7 | 53% | 0.529 | 63% | 0.629 | S | S | . | * | trans | -90.4 | 114.6 | -172.9 | -166.7 | -125.6 | 0 | 0 | 0 | 111.2 | Y242 V243 H248 | Y242-Y246 WeakPolarHBondContact CE1-O 3.21Å; Y242-Y246 AromaticContact CE2-CD1 3.73Å; Y242-Y246 HydrophobicContact CE2-CD1 3.73Å; Y242-Y246 HydrophobicContact CE2-CE1 4.46Å; Y242-Y246 AromaticContact CZ-CD1 3.51Å; Y242-Y246 VanDerWaalsContact CZ-O 3.25Å; Y242-Y246 WeakPolarHBondContact OH-CD1 3.49Å; Y242-Y246 PolarHBondContact OH-O 3.33Å; V243-Y246 PolarHBondContact O-N 3.29Å; Y246-H248 HydrophobicContact CE1-CB 3.82Å; Y246-H248 HydrophobicContact CE2-CB 4.22Å; Y246-H248 AromaticContact CE2-CD2 3.89Å; Y246-H248 PolarHBondContact O-N 3.33Å | ||
| 247 | K | 77.1 | Confident | 71.9 | Confident | 192 Ų | 192 | 117.2 Ų | 117.2 | 84% | 0.835 | 63% | 0.632 | S | S | * | * | trans | -87.2 | 0.2 | -171.3 | -63 | -178.1 | -179.5 | 178.6 | 0 | 115.1 | ||||
| 248 | H | 72.9 | Confident | 71.1 | Confident | 105 Ų | 105 | 120.3 Ų | 120.3 | 49% | 0.486 | 64% | 0.637 | S | S | . | * | trans | -106 | 30.7 | -166.9 | -62 | -29.8 | 0 | 0 | 0 | 113.7 | Y242 Y246 G250 T251 | Y242-H248 PolarHBondContact OH-N 3.14Å; Y246-H248 HydrophobicContact CE1-CB 3.82Å; Y246-H248 HydrophobicContact CE2-CB 4.22Å; Y246-H248 AromaticContact CE2-CD2 3.89Å; Y246-H248 PolarHBondContact O-N 3.33Å; H248-G250 PolarHBondContact O-N 3.42Å; H248-T251 HydrophobicContact CB-CG2 4.22Å; H248-T251 WeakPolarHBondContact CB-OG1 3.46Å; H248-T251 WeakPolarHBondContact O-CB 3.41Å; H248-T251 PolarHBondContact O-N 3.29Å; H248-T251 VanDerWaalsContact O-N 3.14Å; H248-T251 PolarHBondContact O-OG1 2.95Å | ||
| 249 | R | 70.9 | Confident | 70.2 | Confident | 155 Ų | 155 | 120.9 Ų | 120.9 | 59% | 0.585 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 125.2 | -178 | -160 | 175.3 | 178.2 | -81 | 1.7 | 109.1 | Y242 T251 | Y242-R249 HydrophobicContact CD1-CB 4.34Å; Y242-R249 HydrophobicContact CD1-CG 4.08Å; Y242-R249 HydrophobicContact CD2-CG 3.93Å; Y242-R249 HydrophobicContact CE1-CB 3.61Å; Y242-R249 HydrophobicContact CE1-CG 3.83Å; Y242-R249 HydrophobicContact CE2-CB 3.85Å; Y242-R249 HydrophobicContact CE2-CG 3.69Å; Y242-R249 HydrophobicContact CG-CG 4.12Å; Y242-R249 WeakPolarHBondContact OH-CA 3.08Å; Y242-R249 WeakPolarHBondContact OH-CB 3.28Å; Y242-R249 PolarHBondContact OH-N 3.24Å; R249-T251 VanDerWaalsContact C-N 3.27Å; R249-T251 PolarHBondContact O-N 3.33Å |
| 250 | G | 72.4 | Confident | 69.2 | Low | 57 Ų | 57 | 121 Ų | 121 | 59% | 0.588 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.4 | 13.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | H248 | H248-G250 PolarHBondContact O-N 3.42Š|
| 251 | T | 74 | Confident | 68.2 | Low | 58 Ų | 58 | 125.5 Ų | 125.5 | 36% | 0.356 | 67% | 0.666 | S | S | . | * | trans | -87 | -16 | 177.3 | 62.1 | 0 | 0 | 0 | 0 | 114.1 | H248 R249 K255 | H248-T251 HydrophobicContact CB-CG2 4.22Å; H248-T251 WeakPolarHBondContact CB-OG1 3.46Å; H248-T251 WeakPolarHBondContact O-CB 3.41Å; H248-T251 PolarHBondContact O-N 3.29Å; H248-T251 VanDerWaalsContact O-N 3.14Å; H248-T251 PolarHBondContact O-OG1 2.95Å; R249-T251 VanDerWaalsContact C-N 3.27Å; R249-T251 PolarHBondContact O-N 3.33Å; T251-K255 PolarHBondContact O-N 2.96Å | ||
| 252 | Y | 67.8 | Low | 67.2 | Low | 183 Ų | 183 | 125.3 Ų | 125.3 | 72% | 0.718 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -64.7 | -49.9 | -179.1 | -172.8 | -102.1 | 0 | 0 | 0 | 111.4 | K254 K255 V256 | Y252-K254 VanDerWaalsContact C-N 3.26Å; Y252-K254 PolarHBondContact O-N 3.21Å; Y252-K255 PolarHBondContact O-N 3.22Å; Y252-V256 HydrophobicContact CE1-CG1 4.44Å; Y252-V256 WeakPolarHBondContact O-CG2 3.45Å; Y252-V256 PolarHBondContact O-N 3.43Å |
| 253 | E | 66.3 | Low | 65.9 | Low | 152 Ų | 152 | 133.5 Ų | 133.5 | 71% | 0.71 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -60.3 | -33.3 | -179.2 | -66 | 172 | 179.3 | 0 | 0 | 112.9 | K255 V256 N257 | E253-K255 VanDerWaalsContact C-N 3.31Å; E253-K255 PolarHBondContact O-N 3.26Å; E253-V256 WeakPolarHBondContact O-CG2 3.39Å; E253-N257 PolarHBondContact O-N 3.41Å |
| 254 | K | 64.4 | Low | 64.8 | Low | 184 Ų | 184 | 134.4 Ų | 134.4 | 80% | 0.8 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -67.5 | -25.5 | 174.1 | -98.7 | -179.5 | 177.4 | 174.7 | 0 | 114.1 | Y252 | Y252-K254 VanDerWaalsContact C-N 3.26Å; Y252-K254 PolarHBondContact O-N 3.21Å |
| 255 | K | 63.8 | Low | 63.9 | Low | 169 Ų | 169 | 140.5 Ų | 140.5 | 74% | 0.735 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -85.7 | -30 | 179.2 | -82.1 | -177.9 | 175.4 | 179.6 | 0 | 112.9 | T251 Y252 E253 | T251-K255 PolarHBondContact O-N 2.96Å; Y252-K255 PolarHBondContact O-N 3.22Å; E253-K255 VanDerWaalsContact C-N 3.31Å; E253-K255 PolarHBondContact O-N 3.26Å |
| 256 | V | 64.4 | Low | 63.3 | Low | 95 Ų | 95 | 144.5 Ų | 144.5 | 58% | 0.576 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -83.9 | -25.9 | -180 | -82.5 | 0 | 0 | 0 | 0 | 113.5 | Y252 E253 K258 | Y252-V256 HydrophobicContact CE1-CG1 4.44Å; Y252-V256 WeakPolarHBondContact O-CG2 3.45Å; Y252-V256 PolarHBondContact O-N 3.43Å; E253-V256 WeakPolarHBondContact O-CG2 3.39Å; V256-K258 PolarHBondContact O-N 2.7Å |
| 257 | N | 60 | Low | 62.6 | Low | 143 Ų | 143 | 144.9 Ų | 144.9 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | trans | -93.1 | 71.3 | 173 | -115.9 | 0.9 | 0 | 0 | 0 | 111 | E253 | E253-N257 PolarHBondContact O-N 3.41Š| ||
| 258 | K | 58.9 | Low | 61.8 | Low | 174 Ų | 174 | 142.3 Ų | 142.3 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | trans | -80.2 | 124.7 | 162.7 | -87.3 | -175.5 | 175 | -177.4 | 0 | 108.4 | V256 T260 | V256-K258 PolarHBondContact O-N 2.7Å; K258-T260 PolarHBondContact O-N 3.5Å | ||
| 259 | P | 56.8 | Low | 61.2 | Low | 106 Ų | 106 | 144.5 Ų | 144.5 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | trans | -62.6 | 122.3 | 165.9 | 26.7 | -30.5 | 0 | 0 | 0 | 107.8 | D261 | P259-D261 VanDerWaalsContact C-N 3.26Å; P259-D261 PolarHBondContact O-N 2.96Å | ||
| 260 | T | 56.4 | Low | 60.6 | Low | 138 Ų | 138 | 143.9 Ų | 143.9 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | trans | -72.4 | 84.2 | 172.5 | 50 | 0 | 0 | 0 | 0 | 108.2 | K258 G262 | K258-T260 PolarHBondContact O-N 3.5Å; T260-G262 PolarHBondContact O-N 3.32Å | ||
| 261 | D | 55.1 | Low | 59.8 | Low | 150 Ų | 150 | 149.7 Ų | 149.7 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 122.1 | 167.4 | -80.4 | -32.2 | 0 | 0 | 0 | 108.9 | P259 | P259-D261 VanDerWaalsContact C-N 3.26Å; P259-D261 PolarHBondContact O-N 2.96Å |
| 262 | G | 52.2 | Low | 58.8 | Low | 71 Ų | 71 | 156.2 Ų | 156.2 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 140.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T260 | T260-G262 PolarHBondContact O-N 3.32Š|
| 263 | R | 46.8 | Very low | 58.1 | Low | 238 Ų | 238 | 154.2 Ų | 154.2 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 123.6 | 173.8 | -159.6 | -175.3 | -64.5 | -134.8 | 3.2 | 108.5 | ||
| 264 | P | 56.3 | Low | 57.4 | Low | 123 Ų | 123 | 154.3 Ų | 154.3 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 137.2 | 172.6 | 29.5 | -30.3 | 0 | 0 | 0 | 109.7 | ||
| 265 | M | 53.3 | Low | 56.7 | Low | 261 Ų | 261 | 151.6 Ų | 151.6 | 100% | 1.286 | 81% | 0.808 | S | S | * | * | trans | -84.9 | 0 | 169.7 | -68 | -79.1 | -93.3 | 0 | 0 | 109.9 |
Retrieved 265 of 265 residues in 59.8 ms
(Link to these results)