| 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 | 36 | Very low | 36 | Very low | 249 Ų | 249 | 153.5 Ų | 153.5 | 100% | 1.227 | 86% | 0.86 | S | S | * | * | 0 | 124.8 | 0 | -81.5 | 176.1 | 170.1 | 0 | 0 | 107.8 | |||||
| 2 | A | 39 | Very low | 36.1 | Very low | 93 Ų | 93 | 150.1 Ų | 150.1 | 77% | 0.769 | 85% | 0.854 | S | S | * | * | trans | -65.1 | 149.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 3 | T | 36.3 | Very low | 36.4 | Very low | 148 Ų | 148 | 154.5 Ų | 154.5 | 91% | 0.908 | 87% | 0.867 | S | S | * | * | -168.2 | 137.4 | 125.9 | 32.3 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 4 | E | 35.2 | Very low | 36.4 | Very low | 189 Ų | 189 | 148.4 Ų | 148.4 | 88% | 0.883 | 86% | 0.856 | S | S | * | * | trans | -62.1 | 147.3 | -176.4 | -65.8 | 164.5 | 110.4 | 0 | 0 | 113.3 | ||||
| 5 | K | 35.8 | Very low | 36.6 | Very low | 208 Ų | 208 | 151.3 Ų | 151.3 | 90% | 0.904 | 86% | 0.855 | S | S | * | * | trans | -134.6 | 128.5 | 150.9 | -89.4 | -167.4 | 176.5 | -178 | 0 | 110.9 | ||||
| 6 | V | 35.1 | Very low | 36.8 | Very low | 131 Ų | 131 | 152.4 Ų | 152.4 | 79% | 0.794 | 86% | 0.857 | S | S | * | * | trans | -52.1 | 137.3 | -177.8 | 175.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 7 | K | 32.2 | Very low | 37 | Very low | 193 Ų | 193 | 155 Ų | 155 | 84% | 0.839 | 86% | 0.861 | S | S | * | * | trans | -104.9 | 108.2 | 175.4 | 179.5 | -179.4 | -178.2 | -179.8 | 0 | 108.1 | ||||
| 8 | D | 32.8 | Very low | 37.3 | Very low | 143 Ų | 143 | 152.1 Ų | 152.1 | 77% | 0.765 | 86% | 0.86 | S | S | * | * | trans | -104.5 | 137.8 | 160.9 | -84.8 | -45.5 | 0 | 0 | 0 | 109.9 | ||||
| 9 | P | 37.3 | Very low | 37.7 | Very low | 112 Ų | 112 | 148.5 Ų | 148.5 | 73% | 0.727 | 85% | 0.851 | S | S | * | * | trans | -83.6 | 134.8 | -167 | 31.1 | -32.1 | 0 | 0 | 0 | 113 | ||||
| 10 | V | 40.5 | Very low | 38.3 | Very low | 153 Ų | 153 | 148 Ų | 148 | 93% | 0.927 | 85% | 0.85 | S | S | * | * | trans | -54.9 | 135.9 | 154.9 | 171.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 11 | G | 35.7 | Very low | 38.5 | Very low | 70 Ų | 70 | 149.8 Ų | 149.8 | 72% | 0.722 | 85% | 0.849 | S | S | * | * | trans | 149.3 | 95.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 12 | S | 37.5 | Very low | 38.9 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 78% | 0.783 | 83% | 0.83 | S | S | * | * | trans | 136.2 | 44 | 145.6 | -155.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 13 | M | 39.8 | Very low | 39.4 | Very low | 207 Ų | 207 | 144.8 Ų | 144.8 | 100% | 1.02 | 82% | 0.818 | S | S | * | * | trans | -105.1 | 60.1 | 162.8 | -81.2 | -157.6 | -81.1 | 0 | 0 | 110.2 | ||||
| 14 | G | 36.5 | Very low | 40.1 | Very low | 70 Ų | 70 | 146.9 Ų | 146.9 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -139.4 | -3.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 15 | F | 39.5 | Very low | 41 | Very low | 191 Ų | 191 | 144 Ų | 144 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -115.8 | 3.5 | -168.1 | -137.6 | -92.9 | 0 | 0 | 0 | 115.6 | ||
| 16 | L | 39.3 | Very low | 41.5 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -118.8 | 0.8 | -173.7 | -86.7 | 153.4 | 0 | 0 | 0 | 115.2 | ||
| 17 | E | 39.7 | Very low | 42.4 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -92.6 | -6.5 | 179.2 | -156.4 | 170.1 | -177.6 | 0 | 0 | 113.6 | ||
| 18 | A | 42.7 | Very low | 43.8 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -97.1 | 6.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 19 | A | 45.1 | Very low | 44.9 | Very low | 84 Ų | 84 | 134.4 Ų | 134.4 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -134.8 | 73 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 20 | V | 51 | Low | 46.1 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -176.8 | 93.8 | 137.1 | 172.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 21 | K | 41 | Very low | 46.8 | Very low | 187 Ų | 187 | 128.7 Ų | 128.7 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | -161.4 | 90.9 | 154.1 | -108.1 | 171.1 | -171.4 | -178.1 | 0 | 107.8 | ||||
| 22 | I | 45.4 | Very low | 47.8 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | trans | -101 | 98.2 | 173.8 | -36.6 | 173.5 | 0 | 0 | 0 | 105.1 | ||||
| 23 | S | 49.9 | Very low | 48.6 | Very low | 74 Ų | 74 | 128.6 Ų | 128.6 | 52% | 0.517 | 74% | 0.736 | S | S | . | * | trans | 86.1 | 145.1 | 179.5 | 84.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 24 | H | 51 | Low | 49.4 | Very low | 192 Ų | 192 | 124.7 Ų | 124.7 | 89% | 0.889 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -95.5 | 24.1 | -175.7 | -82.5 | -85.4 | 0 | 0 | 0 | 114 | ||
| 25 | T | 52.2 | Low | 50.3 | Low | 129 Ų | 129 | 127 Ų | 127 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | trans | -136 | 25.4 | -174.8 | 56.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 26 | S | 47.4 | Very low | 51.1 | Low | 83 Ų | 83 | 121.5 Ų | 121.5 | 58% | 0.58 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -110.5 | 138.4 | 177.3 | -56.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 27 | P | 54.9 | Low | 51.7 | Low | 124 Ų | 124 | 119 Ų | 119 | 81% | 0.805 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 144.8 | 176.6 | 27.1 | -31.1 | 0 | 0 | 0 | 111.4 | ||
| 28 | D | 59.8 | Low | 52.5 | Low | 154 Ų | 154 | 118.3 Ų | 118.3 | 82% | 0.824 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 136 | -176.9 | -75.2 | -43.5 | 0 | 0 | 0 | 112.2 | ||
| 29 | I | 56.6 | Low | 52.9 | Low | 111 Ų | 111 | 119.2 Ų | 119.2 | 57% | 0.569 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -80 | 129.6 | 176.1 | -60.9 | 171.3 | 0 | 0 | 0 | 108.7 | V33 | I29-V33 HydrophobicContact CG2-CB 3.91Å; I29-V33 HydrophobicContact CG2-CG1 4.15Å; I29-V33 HydrophobicContact CG2-CG2 4.45Å |
| 30 | P | 62.5 | Low | 53.4 | Low | 76 Ų | 76 | 121.5 Ų | 121.5 | 49% | 0.494 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 139.9 | 178.1 | -26.6 | 35.4 | 0 | 0 | 0 | 113.6 | D32 V33 | P30-D32 VanDerWaalsContact C-OD1 3.28Å; P30-D32 WeakPolarHBondContact CB-OD1 3.28Å; P30-D32 PolarHBondContact O-N 3.03Å; P30-D32 VanDerWaalsContact O-N 3.14Å; P30-V33 PolarHBondContact O-N 3.05Å |
| 31 | A | 55.5 | Low | 53.4 | Low | 69 Ų | 69 | 121.4 Ų | 121.4 | 57% | 0.57 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -60.5 | -25.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q34 L35 | A31-Q34 PolarHBondContact O-N 3.43Å; A31-L35 PolarHBondContact O-N 2.97Å |
| 32 | D | 55.7 | Low | 53.9 | Low | 113 Ų | 113 | 117.7 Ų | 117.7 | 60% | 0.604 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65 | -34.2 | 175.7 | 43.9 | -49.1 | 0 | 0 | 0 | 113.1 | P30 S36 | P30-D32 VanDerWaalsContact C-OD1 3.28Å; P30-D32 WeakPolarHBondContact CB-OD1 3.28Å; P30-D32 PolarHBondContact O-N 3.03Å; P30-D32 VanDerWaalsContact O-N 3.14Å; D32-S36 PolarHBondContact O-N 2.74Å |
| 33 | V | 54.8 | Low | 54.3 | Low | 68 Ų | 68 | 119.2 Ų | 119.2 | 41% | 0.412 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -73.6 | -35.1 | 176.3 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | I29 P30 S36 M37 | I29-V33 HydrophobicContact CG2-CB 3.91Å; I29-V33 HydrophobicContact CG2-CG1 4.15Å; I29-V33 HydrophobicContact CG2-CG2 4.45Å; P30-V33 PolarHBondContact O-N 3.05Å; V33-S36 PolarHBondContact O-N 3.18Å; V33-M37 WeakPolarHBondContact O-CG 3.38Å; V33-M37 PolarHBondContact O-N 3.32Å |
| 34 | Q | 56.1 | Low | 54.3 | Low | 125 Ų | 125 | 125 Ų | 125 | 58% | 0.584 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.5 | -36.1 | 178.3 | -64.4 | -174.2 | 12 | 0 | 0 | 112.3 | A31 R38 | A31-Q34 PolarHBondContact O-N 3.43Å; Q34-R38 PolarHBondContact O-N 3.26Å |
| 35 | L | 56.3 | Low | 54.1 | Low | 117 Ų | 117 | 120.8 Ų | 120.8 | 61% | 0.613 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.7 | -39.7 | 176.4 | -72.4 | 167.6 | 0 | 0 | 0 | 112.1 | A31 M37 R38 E39 | A31-L35 PolarHBondContact O-N 2.97Å; L35-M37 PolarHBondContact O-N 2.86Å; L35-R38 WeakPolarHBondContact O-CB 3.35Å; L35-R38 PolarHBondContact O-N 3.23Å; L35-E39 PolarHBondContact O-N 3.17Å; L35-E39 VanDerWaalsContact O-N 3.09Å |
| 36 | S | 55.3 | Low | 53.8 | Low | 77 Ų | 77 | 123.1 Ų | 123.1 | 54% | 0.538 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.3 | -42 | 176.5 | -179.7 | 0 | 0 | 0 | 0 | 112.6 | D32 V33 R38 E39 H40 | D32-S36 PolarHBondContact O-N 2.74Å; V33-S36 PolarHBondContact O-N 3.18Å; S36-R38 VanDerWaalsContact C-N 3.34Å; S36-R38 PolarHBondContact O-N 2.94Å; S36-E39 PolarHBondContact O-N 3.09Å; S36-H40 PolarHBondContact O-N 3.28Å; S36-H40 VanDerWaalsContact O-N 3.14Å |
| 37 | M | 52.4 | Low | 53.8 | Low | 117 Ų | 117 | 130.1 Ų | 130.1 | 58% | 0.576 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66 | -37.9 | 176.3 | -65.2 | -172.3 | 91.5 | 0 | 0 | 111.7 | V33 L35 E39 H40 F41 | V33-M37 WeakPolarHBondContact O-CG 3.38Å; V33-M37 PolarHBondContact O-N 3.32Å; L35-M37 PolarHBondContact O-N 2.86Å; M37-E39 PolarHBondContact O-N 2.75Å; M37-H40 PolarHBondContact O-N 2.72Å; M37-F41 WeakPolarHBondContact O-CD2 3.45Å; M37-F41 PolarHBondContact O-N 3.07Å; M37-F41 VanDerWaalsContact O-N 3.08Å |
| 38 | R | 56.6 | Low | 53.1 | Low | 181 Ų | 181 | 131.4 Ų | 131.4 | 68% | 0.683 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.6 | -40.1 | 178 | -166.4 | 175.3 | -175.9 | 156.8 | 0.6 | 112.3 | Q34 L35 S36 F41 L42 | Q34-R38 PolarHBondContact O-N 3.26Å; L35-R38 WeakPolarHBondContact O-CB 3.35Å; L35-R38 PolarHBondContact O-N 3.23Å; S36-R38 VanDerWaalsContact C-N 3.34Å; S36-R38 PolarHBondContact O-N 2.94Å; R38-F41 PolarHBondContact O-N 2.84Å; R38-L42 PolarHBondContact O-N 2.97Å |
| 39 | E | 52.3 | Low | 52.2 | Low | 122 Ų | 122 | 133.6 Ų | 133.6 | 57% | 0.57 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.2 | -38.3 | 177.6 | -155 | -177.8 | 175.8 | 0 | 0 | 112 | L35 S36 M37 F41 L42 R43 | L35-E39 PolarHBondContact O-N 3.17Å; L35-E39 VanDerWaalsContact O-N 3.09Å; S36-E39 PolarHBondContact O-N 3.09Å; M37-E39 PolarHBondContact O-N 2.75Å; E39-F41 PolarHBondContact O-N 2.6Å; E39-L42 PolarHBondContact O-N 3.18Å; E39-R43 PolarHBondContact O-N 2.92Å; E39-R43 VanDerWaalsContact O-N 3.17Å |
| 40 | H | 54.2 | Low | 51.5 | Low | 132 Ų | 132 | 138.5 Ų | 138.5 | 61% | 0.611 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66 | -35.2 | 176.6 | -169.6 | -92.8 | 0 | 0 | 0 | 112.7 | S36 M37 R44 | S36-H40 PolarHBondContact O-N 3.28Å; S36-H40 VanDerWaalsContact O-N 3.14Å; M37-H40 PolarHBondContact O-N 2.72Å; H40-R44 PolarHBondContact O-N 3.45Å |
| 41 | F | 51.4 | Low | 50.4 | Low | 136 Ų | 136 | 144.4 Ų | 144.4 | 60% | 0.596 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -70.1 | -39.2 | 175.1 | -92.3 | -80.4 | 0 | 0 | 0 | 112.8 | M37 R38 E39 R44 T45 | M37-F41 WeakPolarHBondContact O-CD2 3.45Å; M37-F41 PolarHBondContact O-N 3.07Å; M37-F41 VanDerWaalsContact O-N 3.08Å; R38-F41 PolarHBondContact O-N 2.84Å; E39-F41 PolarHBondContact O-N 2.6Å; F41-R44 PolarHBondContact O-N 3.09Å; F41-T45 PolarHBondContact O-N 3.48Å |
| 42 | L | 51.5 | Low | 49.5 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 57% | 0.565 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -67 | -35.1 | 178 | -80.3 | 159.4 | 0 | 0 | 0 | 112.9 | R38 E39 R44 T45 | R38-L42 PolarHBondContact O-N 2.97Å; E39-L42 PolarHBondContact O-N 3.18Å; L42-R44 VanDerWaalsContact C-N 3.31Å; L42-R44 PolarHBondContact O-N 2.85Å; L42-T45 PolarHBondContact O-OG1 2.87Å |
| 43 | R | 54.3 | Low | 48.8 | Very low | 196 Ų | 196 | 148.8 Ų | 148.8 | 74% | 0.74 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -69.6 | -26.6 | 174.9 | -77.9 | -165.9 | 176.5 | -138.4 | 1.7 | 113.5 | E39 | E39-R43 PolarHBondContact O-N 2.92Å; E39-R43 VanDerWaalsContact O-N 3.17Å |
| 44 | R | 48.8 | Very low | 48.2 | Very low | 195 Ų | 195 | 154.6 Ų | 154.6 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -80.8 | -25.5 | -177.7 | -156.3 | 174.4 | -171.2 | -171.9 | 2.8 | 112.9 | H40 F41 L42 | H40-R44 PolarHBondContact O-N 3.45Å; F41-R44 PolarHBondContact O-N 3.09Å; L42-R44 VanDerWaalsContact C-N 3.31Å; L42-R44 PolarHBondContact O-N 2.85Å |
| 45 | T | 47.7 | Very low | 47.6 | Very low | 104 Ų | 104 | 154.7 Ų | 154.7 | 64% | 0.638 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -85 | -15.4 | -177.7 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | F41 L42 R47 | F41-T45 PolarHBondContact O-N 3.48Å; L42-T45 PolarHBondContact O-OG1 2.87Å; T45-R47 PolarHBondContact O-N 3.03Å |
| 46 | Q | 45.6 | Very low | 46.5 | Very low | 177 Ų | 177 | 154 Ų | 154 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -4.7 | 178.6 | -91.4 | -175.7 | -16.1 | 0 | 0 | 115.3 | ||
| 47 | R | 47.1 | Very low | 45.6 | Very low | 231 Ų | 231 | 156 Ų | 156 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | 19.5 | -171 | -133.5 | 179.8 | -176.5 | -177.7 | 0.9 | 116.5 | T45 | T45-R47 PolarHBondContact O-N 3.03Š|
| 48 | M | 41.7 | Very low | 44.9 | Very low | 150 Ų | 150 | 156.3 Ų | 156.3 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | trans | -133.8 | 97 | 170.6 | -80.8 | -164.3 | 66.6 | 0 | 0 | 111.7 | R50 | M48-R50 HydrophobicContact CE-CG 4.5Š| ||
| 49 | Q | 39.6 | Very low | 44 | Very low | 200 Ų | 200 | 153.7 Ų | 153.7 | 94% | 0.935 | 78% | 0.775 | S | S | * | * | trans | -105.9 | 103 | 164.4 | -155.2 | 175.4 | 8.5 | 0 | 0 | 107.3 | ||||
| 50 | R | 42.2 | Very low | 43.2 | Very low | 215 Ų | 215 | 158.1 Ų | 158.1 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -103.4 | 127.7 | 169 | -88.4 | -173.6 | 170.2 | -138.5 | -0.1 | 108.4 | M48 | M48-R50 HydrophobicContact CE-CG 4.5Š| ||
| 51 | Q | 39 | Very low | 42.5 | Very low | 199 Ų | 199 | 158.8 Ų | 158.8 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | -66 | 135.6 | 167.6 | -80.9 | 173 | -26 | 0 | 0 | 110.2 | ||||
| 52 | T | 36.3 | Very low | 41.7 | Very low | 135 Ų | 135 | 159.1 Ų | 159.1 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | -116.6 | 128.6 | 172.2 | 40.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 53 | T | 42.7 | Very low | 41 | Very low | 140 Ų | 140 | 158 Ų | 158 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -115.5 | 130.1 | 165.1 | 50.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 54 | E | 40.5 | Very low | 40 | Very low | 189 Ų | 189 | 158.4 Ų | 158.4 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80 | 152.6 | 179.5 | -58.4 | -158.3 | 143.1 | 0 | 0 | 112.7 | ||
| 55 | P | 43.5 | Very low | 39.5 | Very low | 127 Ų | 127 | 158.3 Ų | 158.3 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 132 | 171.1 | 33.2 | -27.5 | 0 | 0 | 0 | 112 | ||
| 56 | A | 34.1 | Very low | 39 | Very low | 104 Ų | 104 | 165 Ų | 165 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 136.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 57 | S | 35.3 | Very low | 38.5 | Very low | 118 Ų | 118 | 165.1 Ų | 165.1 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 141.1 | 170.9 | 48 | 0 | 0 | 0 | 0 | 112.4 | ||
| 58 | S | 39.1 | Very low | 37.9 | Very low | 124 Ų | 124 | 161.7 Ų | 161.7 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -134.8 | 132.6 | 166 | 175.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 59 | T | 37.5 | Very low | 38.2 | Very low | 125 Ų | 125 | 160.6 Ų | 160.6 | 77% | 0.767 | 83% | 0.828 | S | S | * | * | trans | -114.5 | 144.9 | -176.5 | -59.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 60 | R | 35.5 | Very low | 38 | Very low | 215 Ų | 215 | 161.2 Ų | 161.2 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | 118.5 | 134.5 | 162.7 | -74.9 | -178.5 | 165.7 | -154.4 | -2.6 | 112.5 | ||||
| 61 | H | 39.7 | Very low | 37.6 | Very low | 146 Ų | 146 | 157.2 Ų | 157.2 | 68% | 0.676 | 81% | 0.812 | S | S | * | * | cis | -156.9 | 159 | 24.2 | -124.3 | -65.1 | 0 | 0 | 0 | 112.6 | ||||
| 62 | N | 34.2 | Very low | 37.3 | Very low | 143 Ų | 143 | 155 Ų | 155 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | trans | -56.4 | 166.8 | 166.3 | -76.3 | -67.2 | 0 | 0 | 0 | 111.7 | ||||
| 63 | S | 36.2 | Very low | 37 | Very low | 86 Ų | 86 | 157 Ų | 157 | 60% | 0.601 | 80% | 0.803 | S | S | * | * | cis | -179.2 | 158.3 | 22.6 | 27 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 64 | F | 34.2 | Very low | 36.6 | Very low | 204 Ų | 204 | 157.2 Ų | 157.2 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | 172.2 | 110.2 | 124.3 | -93.4 | -70.1 | 0 | 0 | 0 | 110.6 | |||||
| 65 | K | 38.4 | Very low | 36.1 | Very low | 192 Ų | 192 | 151.5 Ų | 151.5 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -86.2 | 145.1 | 158.7 | -85.8 | -176.2 | 173.2 | -178.8 | 0 | 108.6 | ||||
| 66 | R | 36 | Very low | 35.4 | Very low | 246 Ų | 246 | 150.2 Ų | 150.2 | 93% | 0.928 | 79% | 0.79 | S | S | * | * | trans | -162.2 | 133.5 | 133.3 | -111.3 | 177.1 | -157.5 | -155.6 | 5.3 | 112 | ||||
| 67 | H | 34.8 | Very low | 35.4 | Very low | 178 Ų | 178 | 152.3 Ų | 152.3 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -83.1 | 160.5 | 169.7 | -82 | 39.7 | 0 | 0 | 0 | 111.1 | ||||
| 68 | L | 36.4 | Very low | 35.2 | Very low | 160 Ų | 160 | 153.3 Ų | 153.3 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -50.7 | 165.4 | 174.1 | -84 | 83.3 | 0 | 0 | 0 | 115.3 | ||||
| 69 | P | 46.8 | Very low | 35.1 | Very low | 126 Ų | 126 | 155.4 Ų | 155.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | -146.2 | 143.4 | 98.1 | 32.6 | -13 | 0 | 0 | 0 | 117.6 | |||||
| 70 | R | 36.5 | Very low | 34.7 | Very low | 213 Ų | 213 | 152.7 Ų | 152.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 45.8 | 130.1 | 132.5 | -117.7 | -171.6 | 179.4 | -149.1 | 8.9 | 124.3 | ||||
| 71 | Q | 33.7 | Very low | 34.6 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 62% | 0.617 | 78% | 0.78 | S | S | * | * | 99.5 | 117.2 | 124.5 | -151.2 | 165 | -10.8 | 0 | 0 | 122.1 | |||||
| 72 | M | 32.7 | Very low | 34.3 | Very low | 152 Ų | 152 | 148.3 Ų | 148.3 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | 25.4 | 142.3 | 143.5 | -53.5 | 176.1 | 101.3 | 0 | 0 | 118.8 | ||||
| 73 | Q | 30.3 | Very low | 34.3 | Very low | 176 Ų | 176 | 151.1 Ų | 151.1 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | -175.7 | 171.8 | 52.1 | -147.3 | 163 | -7.7 | 0 | 0 | 110.5 | |||||
| 74 | V | 33.3 | Very low | 34.3 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -64.9 | 154.6 | -167.2 | -164.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 75 | G | 29.2 | Very low | 34.2 | Very low | 70 Ų | 70 | 148.6 Ų | 148.6 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 138.8 | 149.3 | 146.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 76 | S | 30 | Very low | 34.1 | Very low | 99 Ų | 99 | 147 Ų | 147 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | cis | 179.3 | 141.1 | -13.8 | -172.5 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 77 | L | 32.9 | Very low | 34.1 | Very low | 148 Ų | 148 | 144 Ų | 144 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | 68.5 | 151.3 | 160.3 | -59.3 | 150.8 | 0 | 0 | 0 | 116.1 | ||||
| 78 | D | 31.3 | Very low | 34.1 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | cis | -158.1 | 163.6 | 13.8 | -142.2 | -18.1 | 0 | 0 | 0 | 111.7 | ||||
| 79 | L | 37.1 | Very low | 34 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -64.1 | 158.9 | 178.4 | -112.2 | 63 | 0 | 0 | 0 | 114.7 | ||||
| 80 | G | 29.1 | Very low | 33.5 | Very low | 68 Ų | 68 | 148.1 Ų | 148.1 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -144.1 | 119.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 81 | N | 34.6 | Very low | 33.6 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | 93.9 | 89.4 | 157.2 | -74 | 41.3 | 0 | 0 | 0 | 121.5 | ||||
| 82 | D | 32 | Very low | 34 | Very low | 118 Ų | 118 | 143 Ų | 143 | 63% | 0.631 | 77% | 0.77 | S | S | * | * | 63.2 | 114.5 | 99.9 | -77.4 | 4.9 | 0 | 0 | 0 | 123.5 | |||||
| 83 | Y | 35.2 | Very low | 34.4 | Very low | 202 Ų | 202 | 140.7 Ų | 140.7 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | 67.8 | 132.3 | 131.2 | -68.5 | -56.3 | 0 | 0 | 0 | 119.2 | ||||
| 84 | V | 35.1 | Very low | 35.1 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 70% | 0.703 | 77% | 0.771 | S | S | * | * | cis | -168.9 | 135.6 | 28.1 | 134.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 85 | V | 33.7 | Very low | 36 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | trans | 57 | 122.6 | 136.6 | -171.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 86 | D | 35 | Very low | 37 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | -156.1 | 150.8 | 68.1 | -152.9 | 2.5 | 0 | 0 | 0 | 115 | |||||
| 87 | R | 35.9 | Very low | 37.8 | Very low | 184 Ų | 184 | 146 Ų | 146 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | trans | -101.2 | 135 | -170.5 | -105.1 | 176.7 | 151.8 | 174.7 | -5.8 | 110.7 | E89 | R87-E89 IonicContact CZ-OE1 3.24Å; R87-E89 VanDerWaalsContact CZ-OE1 3.24Å; R87-E89 IonicContact NE-OE1 3.08Å; R87-E89 PolarHBondContact NE-OE1 2.78Å; R87-E89 VanDerWaalsContact NE-OE1 3.08Å; R87-E89 IonicContact NH2-OE1 2.69Å; R87-E89 PolarHBondContact NH2-OE1 3.15Å; R87-E89 IonicContact NH2-OE2 3.8Å | ||
| 88 | E | 34.9 | Very low | 38.4 | Very low | 203 Ų | 203 | 144.7 Ų | 144.7 | 95% | 0.949 | 77% | 0.765 | S | S | * | * | trans | -134.5 | 117 | 133.5 | -82.8 | -164.6 | 155.1 | 0 | 0 | 109.2 | ||||
| 89 | E | 34.4 | Very low | 39.4 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | trans | -90.9 | 140.4 | 178.8 | -73.6 | -179 | 167.4 | 0 | 0 | 111.3 | R87 | R87-E89 IonicContact CZ-OE1 3.24Å; R87-E89 VanDerWaalsContact CZ-OE1 3.24Å; R87-E89 IonicContact NE-OE1 3.08Å; R87-E89 PolarHBondContact NE-OE1 2.78Å; R87-E89 VanDerWaalsContact NE-OE1 3.08Å; R87-E89 IonicContact NH2-OE1 2.69Å; R87-E89 PolarHBondContact NH2-OE1 3.15Å; R87-E89 IonicContact NH2-OE2 3.8Å | ||
| 90 | K | 36.5 | Very low | 40.1 | Very low | 205 Ų | 205 | 140.6 Ų | 140.6 | 89% | 0.891 | 74% | 0.744 | S | S | * | * | trans | -154.5 | 155.4 | 143.1 | -105.6 | 174.4 | -172.8 | 175.4 | 0 | 109.7 | ||||
| 91 | P | 39.8 | Very low | 40.9 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | -88 | 145.8 | -118.2 | 30.5 | -37.4 | 0 | 0 | 0 | 115.5 | S93 | P91-S93 PolarHBondContact O-N 2.84Š| |||
| 92 | T | 42 | Very low | 41.5 | Very low | 119 Ų | 119 | 146 Ų | 146 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | trans | -64.8 | 111.7 | 172.7 | -30.6 | 0 | 0 | 0 | 0 | 111.3 | L94 | T92-L94 VanDerWaalsContact C-N 3.29Å; T92-L94 HydrophobicContact CG2-CB 4.47Å; T92-L94 HydrophobicContact CG2-CD1 3.9Å; T92-L94 HydrophobicContact CG2-CG 3.72Å; T92-L94 PolarHBondContact O-N 3.22Å | ||
| 93 | S | 40.4 | Very low | 42 | Very low | 103 Ų | 103 | 146.9 Ų | 146.9 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | trans | -83.2 | 80.8 | 154.6 | 58 | 0 | 0 | 0 | 0 | 108.5 | P91 G95 | P91-S93 PolarHBondContact O-N 2.84Å; S93-G95 PolarHBondContact O-N 3.09Å | ||
| 94 | L | 45 | Very low | 42.4 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 124.6 | 169.6 | -97 | 145.3 | 0 | 0 | 0 | 109.3 | T92 | T92-L94 VanDerWaalsContact C-N 3.29Å; T92-L94 HydrophobicContact CG2-CB 4.47Å; T92-L94 HydrophobicContact CG2-CD1 3.9Å; T92-L94 HydrophobicContact CG2-CG 3.72Å; T92-L94 PolarHBondContact O-N 3.22Å |
| 95 | G | 52.7 | Low | 42.3 | Very low | 85 Ų | 85 | 150 Ų | 150 | 88% | 0.876 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 121.1 | 3.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | S93 | S93-G95 PolarHBondContact O-N 3.09Š|
| 96 | R | 49.8 | Very low | 42.5 | Very low | 220 Ų | 220 | 147.7 Ų | 147.7 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | -108.8 | 124 | 172.7 | -154.8 | 176 | -164.6 | 178.7 | 3.1 | 109.8 | Q98 | R96-Q98 PolarHBondContact O-N 3.12Å; R96-Q98 VanDerWaalsContact O-N 3.14Å | ||
| 97 | I | 46.9 | Very low | 43 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | trans | -54.2 | 120.3 | 169.8 | -60.9 | 174.7 | 0 | 0 | 0 | 107.2 | P99 Y102 | I97-P99 VanDerWaalsContact O-CD 3.23Å; I97-P99 WeakPolarHBondContact O-CD 3.24Å; I97-Y102 HydrophobicContact CG2-CD2 4.3Å; I97-Y102 HydrophobicContact CG2-CE2 4.46Å | ||
| 98 | Q | 44.7 | Very low | 42.6 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 57% | 0.565 | 76% | 0.755 | S | S | * | * | trans | -78.6 | 106.8 | 168 | -76.9 | -176.8 | -21.5 | 0 | 0 | 107.4 | R96 E100 L101 | R96-Q98 PolarHBondContact O-N 3.12Å; R96-Q98 VanDerWaalsContact O-N 3.14Å; Q98-E100 PolarHBondContact O-N 3.43Å; Q98-L101 HydrophobicContact CB-CD1 4.36Å; Q98-L101 PolarHBondContact O-N 3.45Å; Q98-L101 VanDerWaalsContact OE1-CD1 3.27Å | ||
| 99 | P | 52.7 | Low | 42.5 | Very low | 80 Ų | 80 | 140 Ų | 140 | 52% | 0.519 | 74% | 0.744 | S | S | . | * | G | 310 helix | trans | -63.7 | -25.6 | -173.7 | -18.4 | 32.6 | 0 | 0 | 0 | 112.4 | I97 L101 Y102 Q103 | I97-P99 VanDerWaalsContact O-CD 3.23Å; I97-P99 WeakPolarHBondContact O-CD 3.24Å; P99-L101 VanDerWaalsContact C-N 3.33Å; P99-L101 PolarHBondContact O-N 3.31Å; P99-Y102 PolarHBondContact O-N 3.02Å; P99-Q103 WeakPolarHBondContact O-CG 3.42Å; P99-Q103 PolarHBondContact O-N 3.15Å; P99-Q103 VanDerWaalsContact O-N 3.14Å |
| 100 | E | 52.4 | Low | 42.3 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 66% | 0.659 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -67.8 | -26.4 | -177.8 | -63.9 | 140.8 | -154.2 | 0 | 0 | 113.5 | Q98 Y102 Q103 | Q98-E100 PolarHBondContact O-N 3.43Å; E100-Y102 VanDerWaalsContact C-N 3.35Å; E100-Q103 PolarHBondContact O-N 3.33Å |
| 101 | L | 44.8 | Very low | 41.7 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 71% | 0.707 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -82.6 | -11.9 | 176.8 | -83.7 | 163.1 | 0 | 0 | 0 | 113.5 | Q98 P99 | Q98-L101 HydrophobicContact CB-CD1 4.36Å; Q98-L101 PolarHBondContact O-N 3.45Å; Q98-L101 VanDerWaalsContact OE1-CD1 3.27Å; P99-L101 VanDerWaalsContact C-N 3.33Å; P99-L101 PolarHBondContact O-N 3.31Å |
| 102 | Y | 47.2 | Very low | 41.3 | Very low | 197 Ų | 197 | 140.9 Ų | 140.9 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -106.9 | 2.8 | 169.3 | -71.1 | -85.6 | 0 | 0 | 0 | 112.6 | I97 P99 E100 Q104 | I97-Y102 HydrophobicContact CG2-CD2 4.3Å; I97-Y102 HydrophobicContact CG2-CE2 4.46Å; P99-Y102 PolarHBondContact O-N 3.02Å; E100-Y102 VanDerWaalsContact C-N 3.35Å; Y102-Q104 VanDerWaalsContact C-N 3.35Å; Y102-Q104 PolarHBondContact O-N 3.13Å |
| 103 | Q | 42.2 | Very low | 40.9 | Very low | 136 Ų | 136 | 139 Ų | 139 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | trans | -75.9 | 91.6 | 166.4 | -78.2 | 172.3 | 13.1 | 0 | 0 | 108.6 | P99 E100 K105 | P99-Q103 WeakPolarHBondContact O-CG 3.42Å; P99-Q103 PolarHBondContact O-N 3.15Å; P99-Q103 VanDerWaalsContact O-N 3.14Å; E100-Q103 PolarHBondContact O-N 3.33Å; Q103-K105 PolarHBondContact O-N 2.98Å | ||
| 104 | Q | 43.4 | Very low | 40.7 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | trans | -53.6 | 124.4 | 147.4 | -86.5 | -167 | -30 | 0 | 0 | 107.4 | Y102 G106 | Y102-Q104 VanDerWaalsContact C-N 3.35Å; Y102-Q104 PolarHBondContact O-N 3.13Å; Q104-G106 PolarHBondContact O-N 2.8Å | ||
| 105 | K | 34 | Very low | 40 | Very low | 204 Ų | 204 | 143 Ų | 143 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -33.2 | 124.9 | 172.3 | -78.8 | 175.9 | 171.8 | 177 | 0 | 111.5 | Q103 S107 | Q103-K105 PolarHBondContact O-N 2.98Å; K105-S107 PolarHBondContact O-N 3.46Å |
| 106 | G | 37.2 | Very low | 39 | Very low | 75 Ų | 75 | 142.7 Ų | 142.7 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -6.8 | 97 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q104 | Q104-G106 PolarHBondContact O-N 2.8Š| ||
| 107 | S | 45.2 | Very low | 38.3 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | trans | -110.2 | 78.1 | 144.3 | 48.3 | 0 | 0 | 0 | 0 | 107.2 | K105 S109 | K105-S107 PolarHBondContact O-N 3.46Å; S107-S109 PolarHBondContact O-OG 3.38Å; S107-S109 VanDerWaalsContact O-OG 3.12Å | ||
| 108 | E | 28.8 | Very low | 38.3 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -104.3 | 107.9 | 167 | -65.9 | -176.8 | 161.2 | 0 | 0 | 104.9 | ||||
| 109 | S | 32.8 | Very low | 39.2 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | 58.8 | 118.6 | 53.8 | -46.8 | 0 | 0 | 0 | 0 | 109.1 | S107 | S107-S109 PolarHBondContact O-OG 3.38Å; S107-S109 VanDerWaalsContact O-OG 3.12Å | |||
| 110 | E | 28.6 | Very low | 40.5 | Very low | 187 Ų | 187 | 140.9 Ų | 140.9 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | cis | -160 | 160.6 | 49.1 | -57.2 | -174 | 141.7 | 0 | 0 | 107.7 | ||||
| 111 | E | 25.8 | Very low | 42.3 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | cis | -137.4 | 121.2 | 23.2 | -68.7 | 172.7 | 123.9 | 0 | 0 | 108.4 | ||||
| 112 | S | 30.6 | Very low | 44.6 | Very low | 120 Ų | 120 | 128 Ų | 128 | 84% | 0.839 | 70% | 0.696 | S | S | * | * | trans | -106.3 | 98 | 156.2 | 48.3 | 0 | 0 | 0 | 0 | 106.7 | K114 | S112-K114 PolarHBondContact O-N 2.86Š| ||
| 113 | S | 33.3 | Very low | 46.9 | Very low | 80 Ų | 80 | 123.9 Ų | 123.9 | 56% | 0.559 | 68% | 0.679 | S | S | * | * | trans | -46.5 | 126.6 | 172.4 | -48.9 | 0 | 0 | 0 | 0 | 108.8 | N115 | S113-N115 PolarHBondContact O-N 2.97Š| ||
| 114 | K | 36.7 | Very low | 49.5 | Very low | 218 Ų | 218 | 117.4 Ų | 117.4 | 95% | 0.948 | 65% | 0.648 | S | S | * | * | trans | -64.4 | 70.5 | 154.3 | -73.4 | 176.1 | 176.8 | 171.6 | 0 | 108 | S112 | S112-K114 PolarHBondContact O-N 2.86Š| ||
| 115 | N | 29.1 | Very low | 52 | Low | 131 Ų | 131 | 109.1 Ų | 109.1 | 70% | 0.701 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -116.6 | 139.9 | 163.6 | -83.8 | -12.1 | 0 | 0 | 0 | 105.9 | S113 G117 | S113-N115 PolarHBondContact O-N 2.97Å; N115-G117 PolarHBondContact O-N 2.79Å |
| 116 | G | 32.8 | Very low | 55 | Low | 79 Ų | 79 | 99.4 Ų | 99.4 | 81% | 0.814 | 57% | 0.568 | S | S | * | * | trans | -46.8 | 124 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E118 | G116-E118 PolarHBondContact O-N 2.79Š| ||
| 117 | G | 35.1 | Very low | 57.7 | Low | 71 Ų | 71 | 96 Ų | 96 | 73% | 0.732 | 53% | 0.532 | S | S | * | . | trans | -52 | 113.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N115 K119 | N115-G117 PolarHBondContact O-N 2.79Å; G117-K119 PolarHBondContact O-N 3.25Å; G117-K119 VanDerWaalsContact O-N 3.11Å | ||
| 118 | E | 46 | Very low | 60 | Low | 193 Ų | 193 | 91.4 Ų | 91.4 | 90% | 0.902 | 50% | 0.5 | S | S | * | . | trans | -59.2 | 113.2 | 166.6 | -71.2 | -178.7 | 160.3 | 0 | 0 | 107.8 | G116 N120 | G116-E118 PolarHBondContact O-N 2.79Å; E118-N120 PolarHBondContact O-N 2.64Å; E118-N120 VanDerWaalsContact O-N 3.08Å | ||
| 119 | K | 64.3 | Low | 63.1 | Low | 126 Ų | 126 | 87 Ų | 87 | 55% | 0.548 | 48% | 0.478 | S | S | . | . | trans | -72.6 | 103.5 | 176.8 | -66.3 | 178.5 | -176.5 | 180 | 0 | 107.7 | G117 C121 Y244 | G117-K119 PolarHBondContact O-N 3.25Å; G117-K119 VanDerWaalsContact O-N 3.11Å; K119-C121 PolarHBondContact O-N 2.81Å; K119-C121 PolarHBondContact O-SG 3.49Å; K119-Y244 HydrophobicContact CB-CD2 3.96Å; K119-Y244 HydrophobicContact CB-CE2 4.39Å; K119-Y244 HydrophobicContact CB-CG 4.02Å; K119-Y244 HydrophobicContact CD-CD1 4.02Å; K119-Y244 HydrophobicContact CD-CD2 3.99Å; K119-Y244 HydrophobicContact CD-CE1 3.68Å; K119-Y244 HydrophobicContact CD-CE2 3.65Å; K119-Y244 HydrophobicContact CD-CG 4.16Å; K119-Y244 VanDerWaalsContact CD-CZ 3.48Å; K119-Y244 PolarHBondContact NZ-OH 2.85Å | ||
| 120 | N | 80.8 | Confident | 66 | Low | 127 Ų | 127 | 82.3 Ų | 82.3 | 68% | 0.679 | 45% | 0.445 | S | S | * | . | trans | -61.7 | 122.4 | 173.5 | -174 | -3.8 | 0 | 0 | 0 | 109.7 | E118 G122 | E118-N120 PolarHBondContact O-N 2.64Å; E118-N120 VanDerWaalsContact O-N 3.08Å; N120-G122 PolarHBondContact OD1-N 3.46Å | ||
| 121 | C | 89.1 | Confident | 69 | Low | 3 Ų | 3 | 75 Ų | 75 | 2% | 0.02 | 41% | 0.412 | C | S | . | . | trans | -107.8 | 12.7 | -179.6 | -56.2 | 0 | 0 | 0 | 0 | 113.1 | K119 I218 I242 Y244 | K119-C121 PolarHBondContact O-N 2.81Å; K119-C121 PolarHBondContact O-SG 3.49Å; C121-I218 HydrophobicContact CB-CG2 4.39Å; C121-I242 HydrophobicContact CB-CB 3.86Å; C121-I242 HydrophobicContact CB-CG2 3.65Å; C121-I242 WeakPolarHBondContact CB-O 3.05Å; C121-I242 WeakPolarHBondContact O-CD1 3.49Å; C121-Y244 WeakPolarHBondContact SG-CA 3.13Å; C121-Y244 WeakPolarHBondContact SG-CB 3.42Å; C121-Y244 WeakPolarHBondContact SG-CD2 3.3Å | ||
| 122 | G | 93.1 | Very high | 72.2 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.01 | 40% | 0.395 | C | S | . | . | trans | 78.8 | -166.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N120 V145 D146 I242 | N120-G122 PolarHBondContact OD1-N 3.46Å; G122-V145 CarbonylContact C-O 3.5Å; G122-V145 WeakPolarHBondContact CA-O 3.49Å; G122-D146 WeakPolarHBondContact CA-O 3.33Å; G122-D146 PolarHBondContact N-O 2.89Å; G122-I242 WeakPolarHBondContact O-CB 3.13Å; G122-I242 PolarHBondContact O-N 2.86Å | ||
| 123 | R | 95.8 | Very high | 75.1 | Confident | 111 Ų | 111 | 75.1 Ų | 75.1 | 42% | 0.419 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 146.6 | -176 | -51.9 | -172.4 | -74.5 | -179.6 | -8.1 | 110.8 | A144 V145 W239 R240 D241 | R123-A144 CarbonylContact O-C 3.53Å; R123-A144 VanDerWaalsContact O-CA 3.23Å; R123-A144 WeakPolarHBondContact O-CA 3.43Å; R123-V145 HydrophobicContact CB-CG2 4Å; R123-V145 PolarHBondContact N-O 3.23Å; R123-V145 PolarHBondContact O-N 3Å; R123-W239 HydrophobicContact CB-CE3 4.09Å; R123-W239 HydrophobicContact CB-CZ3 4.36Å; R123-R240 CarbonylContact C-O 3.41Å; R123-R240 VanDerWaalsContact CA-O 3.27Å; R123-R240 WeakPolarHBondContact CA-O 3.25Å; R123-R240 WeakPolarHBondContact CB-O 3.11Å; R123-D241 WeakPolarHBondContact CD-OD1 3.12Å; R123-D241 WeakPolarHBondContact CG-OD1 3.29Å |
| 124 | I | 96.6 | Very high | 78 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 141.8 | 176.3 | -168.6 | 168.9 | 0 | 0 | 0 | 110.4 | F126 I141 A144 V160 V206 V221 W239 R240 I242 | I124-F126 HydrophobicContact CG2-CD1 4.2Å; I124-F126 HydrophobicContact CG2-CE1 4.32Å; I124-I141 HydrophobicContact CD1-CG2 4.24Å; I124-A144 HydrophobicContact CB-CB 4.5Å; I124-A144 HydrophobicContact CG1-CB 4.43Å; I124-V160 HydrophobicContact CD1-CG1 4.16Å; I124-V160 HydrophobicContact CD1-CG2 3.98Å; I124-V206 HydrophobicContact CD1-CG2 4.26Å; I124-V221 HydrophobicContact CG2-CB 4.46Å; I124-V221 HydrophobicContact CG2-CG2 3.69Å; I124-W239 WeakPolarHBondContact O-CA 3.39Å; I124-R240 HydrophobicContact CG2-CB 4.41Å; I124-R240 PolarHBondContact N-O 3.46Å; I124-R240 PolarHBondContact O-N 2.93Å; I124-I242 HydrophobicContact CB-CD1 4.26Å; I124-I242 HydrophobicContact CB-CG1 4.2Å; I124-I242 HydrophobicContact CG2-CG1 4.21Å |
| 125 | N | 96.6 | Very high | 80.7 | Confident | 5 Ų | 5 | 71.7 Ų | 71.7 | 3% | 0.027 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.9 | 172.9 | -171.4 | -25 | 0 | 0 | 0 | 109.9 | L142 R143 N237 I238 W239 | N125-L142 HydrophobicContact CB-CB 4.45Å; N125-L142 WeakPolarHBondContact O-CB 3.15Å; N125-L142 PolarHBondContact O-N 3.07Å; N125-L142 WeakPolarHBondContact OD1-CD1 3.43Å; N125-R143 WeakPolarHBondContact CA-O 3.3Å; N125-R143 HydrophobicContact CB-CG 3.95Å; N125-R143 PolarHBondContact N-O 2.98Å; N125-R143 PolarHBondContact O-N 3.39Å; N125-N237 VanDerWaalsContact CG-OD1 3.24Å; N125-N237 PolarHBondContact ND2-ND2 2.95Å; N125-N237 PolarHBondContact ND2-OD1 2.87Å; N125-N237 VanDerWaalsContact OD1-CG 3.3Å; N125-N237 PolarHBondContact OD1-ND2 2.76Å; N125-N237 PolarHBondContact OD1-OD1 2.89Å; N125-I238 WeakPolarHBondContact CA-O 3.45Å; N125-I238 PolarHBondContact OD1-O 2.9Å; N125-W239 HydrophobicContact CB-CD2 3.79Å; N125-W239 HydrophobicContact CB-CE3 3.7Å; N125-W239 HydrophobicContact CB-CH2 3.68Å; N125-W239 HydrophobicContact CB-CZ2 3.75Å; N125-W239 HydrophobicContact CB-CZ3 3.64Å; N125-W239 WeakPolarHBondContact ND2-CZ2 3.41Å; N125-W239 PolarHBondContact ND2-NE1 2.96Å; N125-W239 VanDerWaalsContact ND2-NE1 3.14Å |
| 126 | F | 96 | Very high | 83.8 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 162.9 | 176.2 | 58.7 | -79.3 | 0 | 0 | 0 | 109.5 | I124 L128 N140 I141 M204 L223 I238 R240 | I124-F126 HydrophobicContact CG2-CD1 4.2Å; I124-F126 HydrophobicContact CG2-CE1 4.32Å; F126-L128 HydrophobicContact CD2-CD2 4.04Å; F126-L128 HydrophobicContact CD2-CG 4.09Å; F126-L128 HydrophobicContact CE2-CD1 4.14Å; F126-L128 HydrophobicContact CE2-CD2 4.28Å; F126-L128 HydrophobicContact CE2-CG 4.07Å; F126-N140 CarbonylContact C-O 3.49Å; F126-N140 WeakPolarHBondContact CA-O 2.89Å; F126-N140 VanDerWaalsContact CB-O 3.27Å; F126-N140 WeakPolarHBondContact CB-O 3.18Å; F126-I141 HydrophobicContact CB-CD1 3.87Å; F126-M204 HydrophobicContact CD1-CE 3.7Å; F126-M204 HydrophobicContact CD1-SD 4.1Å; F126-M204 HydrophobicContact CD2-CE 4.14Å; F126-M204 HydrophobicContact CD2-SD 4.38Å; F126-M204 HydrophobicContact CE1-CE 3.54Å; F126-M204 HydrophobicContact CE2-CE 3.95Å; F126-M204 HydrophobicContact CG-CE 4.04Å; F126-M204 HydrophobicContact CG-SD 4.07Å; F126-M204 HydrophobicContact CZ-CE 3.69Å; F126-L223 HydrophobicContact CE2-CD1 3.5Å; F126-L223 HydrophobicContact CZ-CD1 3.51Å; F126-L223 HydrophobicContact CZ-CD2 4.44Å; F126-L223 HydrophobicContact CZ-CG 4.47Å; F126-I238 HydrophobicContact CD2-CD1 4.37Å; F126-I238 HydrophobicContact CE1-CB 4.32Å; F126-I238 HydrophobicContact CE1-CG2 4.34Å; F126-I238 HydrophobicContact CE2-CB 4.09Å; F126-I238 HydrophobicContact CE2-CD1 3.67Å; F126-I238 HydrophobicContact CE2-CG1 4.45Å; F126-I238 HydrophobicContact CE2-CG2 4.42Å; F126-I238 HydrophobicContact CZ-CB 3.89Å; F126-I238 HydrophobicContact CZ-CD1 4.12Å; F126-I238 HydrophobicContact CZ-CG2 3.84Å; F126-I238 PolarHBondContact N-O 3.36Å; F126-I238 VanDerWaalsContact N-O 3.13Å; F126-I238 PolarHBondContact O-N 2.83Å; F126-R240 HydrophobicContact CE1-CB 4.14Å; F126-R240 HydrophobicContact CE1-CG 3.79Å; F126-R240 HydrophobicContact CZ-CG 3.93Å |
| 127 | S | 94.6 | Very high | 86.7 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 150 | 170.2 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | N140 E235 T236 | S127-N140 PolarHBondContact N-O 3.17Å; S127-N140 PolarHBondContact O-N 3.07Å; S127-N140 WeakPolarHBondContact OG-CB 3.24Å; S127-E235 PolarHBondContact OG-OE1 2.92Å; S127-T236 WeakPolarHBondContact CA-O 3.37Å; S127-T236 WeakPolarHBondContact CB-O 3.45Å |
| 128 | L | 93.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.3 | 178.2 | -58 | 179.9 | 0 | 0 | 0 | 109 | F126 L138 V139 L202 L223 L226 L232 T236 I238 | F126-L128 HydrophobicContact CD2-CD2 4.04Å; F126-L128 HydrophobicContact CD2-CG 4.09Å; F126-L128 HydrophobicContact CE2-CD1 4.14Å; F126-L128 HydrophobicContact CE2-CD2 4.28Å; F126-L128 HydrophobicContact CE2-CG 4.07Å; L128-L138 WeakPolarHBondContact CA-O 3.1Å; L128-V139 HydrophobicContact CD2-CB 4.18Å; L128-V139 HydrophobicContact CD2-CG1 3.91Å; L128-V139 HydrophobicContact CD2-CG2 3.82Å; L128-L202 HydrophobicContact CD1-CD2 4.29Å; L128-L202 HydrophobicContact CD2-CD2 3.5Å; L128-L223 HydrophobicContact CD1-CD1 4.46Å; L128-L226 HydrophobicContact CD1-CD2 4.21Å; L128-L232 HydrophobicContact CB-CD2 4.02Å; L128-T236 PolarHBondContact N-O 3.27Å; L128-T236 PolarHBondContact O-N 3.09Å; L128-I238 HydrophobicContact CD1-CD1 3.93Å; L128-I238 HydrophobicContact CG-CD1 4.07Å |
| 129 | K | 93.1 | Very high | 91.9 | Very high | 91 Ų | 91 | 51.5 Ų | 51.5 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 139.4 | 171.8 | -178.4 | -176.7 | 174.7 | -169.2 | 0 | 108.7 | L138 E235 | K129-L138 HydrophobicContact CB-CB 4.41Å; K129-L138 HydrophobicContact CD-CD1 4.5Å; K129-L138 PolarHBondContact N-O 3.48Å; K129-L138 WeakPolarHBondContact O-CA 3.45Å; K129-L138 WeakPolarHBondContact O-CB 3.34Å; K129-L138 PolarHBondContact O-N 3.49Å; K129-E235 HydrophobicContact CB-CB 4.49Å |
| 130 | Y | 93.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 2% | 0.02 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 132.8 | 169.5 | -167.2 | -102.7 | 0 | 0 | 0 | 110.6 | Y132 E135 A136 L137 V192 Y194 L197 L232 | Y130-Y132 AromaticContact CD1-CD1 3.64Å; Y130-Y132 HydrophobicContact CD1-CD1 3.64Å; Y130-Y132 HydrophobicContact CD1-CD2 4.06Å; Y130-Y132 AromaticContact CD1-CE1 3.69Å; Y130-Y132 HydrophobicContact CD1-CE1 3.69Å; Y130-Y132 HydrophobicContact CD1-CE2 4.1Å; Y130-Y132 AromaticContact CD1-CG 3.83Å; Y130-Y132 HydrophobicContact CD1-CG 3.83Å; Y130-Y132 AromaticContact CD1-CZ 3.93Å; Y130-Y132 AromaticContact CE1-CD1 3.73Å; Y130-Y132 HydrophobicContact CE1-CD1 3.73Å; Y130-Y132 HydrophobicContact CE1-CE1 4.06Å; Y130-Y132 HydrophobicContact CE1-CG 4.13Å; Y130-E135 WeakPolarHBondContact OH-CA 3.42Å; Y130-A136 WeakPolarHBondContact CD2-O 3.43Å; Y130-L137 HydrophobicContact CD2-CB 4.41Å; Y130-V192 HydrophobicContact CE2-CG1 4.34Å; Y130-V192 WeakPolarHBondContact CE2-O 3.5Å; Y130-V192 PolarHBondContact OH-O 3.14Å; Y130-Y194 AromaticContact CD1-CD2 3.63Å; Y130-Y194 HydrophobicContact CD1-CD2 3.63Å; Y130-Y194 HydrophobicContact CD1-CE2 4.32Å; Y130-Y194 AromaticContact CE1-CD2 3.68Å; Y130-Y194 HydrophobicContact CE1-CD2 3.68Å; Y130-Y194 HydrophobicContact CE1-CG 4.23Å; Y130-Y194 HydrophobicContact CG-CD2 4.06Å; Y130-Y194 PolarHBondContact OH-N 2.67Å; Y130-L197 HydrophobicContact CD2-CD1 3.61Å; Y130-L197 HydrophobicContact CE2-CD1 3.77Å; Y130-L197 HydrophobicContact CE2-CG 4.38Å; Y130-L197 HydrophobicContact CG-CD1 4.24Å; Y130-L232 PolarHBondContact N-O 3.14Å |
| 131 | D | 93.4 | Very high | 94.2 | Very high | 34 Ų | 34 | 40.7 Ų | 40.7 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 105.5 | 172.7 | -175.2 | -6 | 0 | 0 | 0 | 109.1 | E133 N134 E135 A136 L138 | D131-E133 VanDerWaalsContact C-N 3.32Å; D131-E133 PolarHBondContact OD1-N 3.3Å; D131-N134 PolarHBondContact OD1-N 3.26Å; D131-N134 PolarHBondContact OD2-ND2 3.45Å; D131-E135 WeakPolarHBondContact O-CA 3.38Å; D131-E135 PolarHBondContact O-N 3.38Å; D131-A136 PolarHBondContact N-O 3.14Å; D131-A136 PolarHBondContact O-N 3.23Å; D131-A136 VanDerWaalsContact O-N 3.09Å; D131-L138 HydrophobicContact CB-CD1 4.15Å; D131-L138 HydrophobicContact CB-CG 4.35Å |
| 132 | Y | 91.6 | Very high | 94.5 | Very high | 121 Ų | 121 | 42.2 Ų | 42.2 | 48% | 0.475 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -23.6 | -179.5 | -64.4 | -86.8 | 0 | 0 | 0 | 112.9 | Y130 Y194 | Y130-Y132 AromaticContact CD1-CD1 3.64Å; Y130-Y132 HydrophobicContact CD1-CD1 3.64Å; Y130-Y132 HydrophobicContact CD1-CD2 4.06Å; Y130-Y132 AromaticContact CD1-CE1 3.69Å; Y130-Y132 HydrophobicContact CD1-CE1 3.69Å; Y130-Y132 HydrophobicContact CD1-CE2 4.1Å; Y130-Y132 AromaticContact CD1-CG 3.83Å; Y130-Y132 HydrophobicContact CD1-CG 3.83Å; Y130-Y132 AromaticContact CD1-CZ 3.93Å; Y130-Y132 AromaticContact CE1-CD1 3.73Å; Y130-Y132 HydrophobicContact CE1-CD1 3.73Å; Y130-Y132 HydrophobicContact CE1-CE1 4.06Å; Y130-Y132 HydrophobicContact CE1-CG 4.13Å; Y132-Y194 HydrophobicContact CD1-CD2 4.44Å; Y132-Y194 AromaticContact CE1-CD2 3.62Å; Y132-Y194 HydrophobicContact CE1-CD2 3.62Å; Y132-Y194 AromaticContact CE1-CE2 3.65Å; Y132-Y194 HydrophobicContact CE1-CE2 3.65Å; Y132-Y194 HydrophobicContact CE1-CG 4.24Å; Y132-Y194 AromaticContact CZ-CE2 3.81Å; Y132-Y194 VanDerWaalsContact OH-CE2 3.28Å; Y132-Y194 WeakPolarHBondContact OH-CE2 3.23Å |
| 133 | E | 92.6 | Very high | 94.7 | Very high | 179 Ų | 179 | 47.7 Ų | 47.7 | 84% | 0.836 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -36.7 | -179.7 | -64.6 | -178 | -179.3 | 0 | 0 | 111.2 | D131 | D131-E133 VanDerWaalsContact C-N 3.32Å; D131-E133 PolarHBondContact OD1-N 3.3Å |
| 134 | N | 92.8 | Very high | 94.8 | Very high | 101 Ų | 101 | 42.5 Ų | 42.5 | 54% | 0.54 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 6.1 | -177.9 | -64.5 | -64 | 0 | 0 | 0 | 113.8 | D131 A136 | D131-N134 PolarHBondContact OD1-N 3.26Å; D131-N134 PolarHBondContact OD2-ND2 3.45Å; N134-A136 VanDerWaalsContact C-N 3.34Å; N134-A136 PolarHBondContact O-N 3.2Å |
| 135 | E | 94.3 | Very high | 94.8 | Very high | 124 Ų | 124 | 43.6 Ų | 43.6 | 58% | 0.579 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.9 | 55 | -176.2 | -62.6 | -173.5 | 153 | 0 | 0 | 112.7 | Y130 D131 V192 | Y130-E135 WeakPolarHBondContact OH-CA 3.42Å; D131-E135 WeakPolarHBondContact O-CA 3.38Å; D131-E135 PolarHBondContact O-N 3.38Å; E135-V192 CarbonylContact C-O 3.47Å; E135-V192 CarbonylContact O-C 3.53Å; E135-V192 PolarHBondContact O-N 2.84Å |
| 136 | A | 94.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 142 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y130 D131 N134 Q189 F190 | Y130-A136 WeakPolarHBondContact CD2-O 3.43Å; D131-A136 PolarHBondContact N-O 3.14Å; D131-A136 PolarHBondContact O-N 3.23Å; D131-A136 VanDerWaalsContact O-N 3.09Å; N134-A136 VanDerWaalsContact C-N 3.34Å; N134-A136 PolarHBondContact O-N 3.2Å; A136-Q189 HydrophobicContact CB-CG 3.46Å; A136-Q189 VanDerWaalsContact CB-CG 3.46Å; A136-Q189 VanDerWaalsContact CB-NE2 3.31Å; A136-F190 CarbonylContact C-O 3.54Å; A136-F190 VanDerWaalsContact CA-O 3.24Å; A136-F190 WeakPolarHBondContact CA-O 3.45Å; A136-F190 WeakPolarHBondContact CB-O 2.94Å |
| 137 | L | 93.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 120.3 | 169.7 | -178.3 | 69.4 | 0 | 0 | 0 | 109.7 | Y130 V139 L164 F190 V192 L197 L226 L232 | Y130-L137 HydrophobicContact CD2-CB 4.41Å; L137-V139 HydrophobicContact CD2-CG2 4.03Å; L137-V139 HydrophobicContact CG-CG2 4.03Å; L137-L164 HydrophobicContact CD2-CD1 4.01Å; L137-F190 HydrophobicContact CB-CB 4.39Å; L137-F190 PolarHBondContact N-O 2.69Å; L137-F190 PolarHBondContact O-N 3.35Å; L137-V192 HydrophobicContact CB-CG1 3.89Å; L137-L197 HydrophobicContact CB-CD2 4.31Å; L137-L197 HydrophobicContact CD2-CD2 4.35Å; L137-L226 HydrophobicContact CD2-CD1 3.84Å; L137-L232 HydrophobicContact CD1-CD2 4.1Å |
| 138 | L | 94.6 | Very high | 94.4 | Very high | 50 Ų | 50 | 49.8 Ų | 49.8 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 123.2 | 171.7 | -58.8 | 174.5 | 0 | 0 | 0 | 109.4 | L128 K129 D131 F188 Q189 | L128-L138 WeakPolarHBondContact CA-O 3.1Å; K129-L138 HydrophobicContact CB-CB 4.41Å; K129-L138 HydrophobicContact CD-CD1 4.5Å; K129-L138 PolarHBondContact N-O 3.48Å; K129-L138 WeakPolarHBondContact O-CA 3.45Å; K129-L138 WeakPolarHBondContact O-CB 3.34Å; K129-L138 PolarHBondContact O-N 3.49Å; D131-L138 HydrophobicContact CB-CD1 4.15Å; D131-L138 HydrophobicContact CB-CG 4.35Å; L138-F188 WeakPolarHBondContact CA-O 3.48Å; L138-Q189 HydrophobicContact CD2-CB 3.88Å; L138-Q189 HydrophobicContact CD2-CG 3.8Å |
| 139 | V | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 114.3 | 178.1 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | L128 L137 I141 V162 S187 F188 F190 L202 | L128-V139 HydrophobicContact CD2-CB 4.18Å; L128-V139 HydrophobicContact CD2-CG1 3.91Å; L128-V139 HydrophobicContact CD2-CG2 3.82Å; L137-V139 HydrophobicContact CD2-CG2 4.03Å; L137-V139 HydrophobicContact CG-CG2 4.03Å; V139-I141 HydrophobicContact CG1-CD1 3.91Å; V139-V162 HydrophobicContact CG1-CG1 4.21Å; V139-S187 WeakPolarHBondContact O-CA 3.31Å; V139-F188 PolarHBondContact N-O 3.05Å; V139-F188 PolarHBondContact O-N 3.42Å; V139-F190 HydrophobicContact CB-CE2 4.21Å; V139-F190 HydrophobicContact CG2-CD2 3.81Å; V139-F190 HydrophobicContact CG2-CE2 3.8Å; V139-L202 HydrophobicContact CG1-CD1 4.44Å; V139-L202 HydrophobicContact CG1-CD2 4Å; V139-L202 HydrophobicContact CG2-CD1 4.12Å; V139-L202 HydrophobicContact CG2-CD2 4.06Å |
| 140 | N | 95.9 | Very high | 93.8 | Very high | 26 Ų | 26 | 51 Ų | 51 | 14% | 0.139 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 110.7 | -178.3 | -177.7 | 19.6 | 0 | 0 | 0 | 109.9 | F126 S127 L142 E186 S187 E235 | F126-N140 CarbonylContact C-O 3.49Å; F126-N140 WeakPolarHBondContact CA-O 2.89Å; F126-N140 VanDerWaalsContact CB-O 3.27Å; F126-N140 WeakPolarHBondContact CB-O 3.18Å; S127-N140 PolarHBondContact N-O 3.17Å; S127-N140 PolarHBondContact O-N 3.07Å; S127-N140 WeakPolarHBondContact OG-CB 3.24Å; N140-L142 WeakPolarHBondContact ND2-CD2 3.47Å; N140-L142 PolarHBondContact O-N 3.45Å; N140-E186 CarbonylContact C-O 3.46Å; N140-E186 WeakPolarHBondContact CA-O 3.36Å; N140-E186 PolarHBondContact OD1-O 3.46Å; N140-S187 VanDerWaalsContact CG-OG 3.28Å; N140-S187 PolarHBondContact OD1-OG 2.69Å; N140-S187 VanDerWaalsContact OD1-OG 3.09Å; N140-E235 PolarHBondContact ND2-OE1 2.78Å |
| 141 | I | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 112.3 | 179.1 | -53.2 | -56.4 | 0 | 0 | 0 | 108 | I124 F126 V139 V160 V162 T173 F184 S185 E186 F188 M204 | I124-I141 HydrophobicContact CD1-CG2 4.24Å; F126-I141 HydrophobicContact CB-CD1 3.87Å; V139-I141 HydrophobicContact CG1-CD1 3.91Å; I141-V160 HydrophobicContact CG2-CG2 4.31Å; I141-V162 HydrophobicContact CD1-CG2 4.06Å; I141-V162 HydrophobicContact CG1-CG2 4.03Å; I141-T173 HydrophobicContact CB-CG2 4.28Å; I141-T173 HydrophobicContact CG1-CG2 4.42Å; I141-T173 HydrophobicContact CG2-CG2 4.26Å; I141-F184 HydrophobicContact CG2-CB 4.15Å; I141-F184 HydrophobicContact CG2-CD2 3.69Å; I141-F184 HydrophobicContact CG2-CE2 4.4Å; I141-F184 HydrophobicContact CG2-CG 4.1Å; I141-S185 VanDerWaalsContact O-CA 3.31Å; I141-S185 WeakPolarHBondContact O-CA 3.27Å; I141-S185 PolarHBondContact O-N 3.24Å; I141-E186 PolarHBondContact N-O 3.37Å; I141-E186 PolarHBondContact O-N 3.28Å; I141-F188 HydrophobicContact CG1-CD2 4.13Å; I141-F188 HydrophobicContact CG1-CE2 3.85Å; I141-M204 HydrophobicContact CD1-SD 3.57Å; I141-M204 VanDerWaalsContact CD1-SD 3.57Å |
| 142 | L | 96.5 | Very high | 92.2 | Very high | 35 Ų | 35 | 59.9 Ų | 59.9 | 18% | 0.183 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -63.8 | -171.2 | -63.3 | 176.3 | 0 | 0 | 0 | 111.4 | N125 N140 T183 F184 S185 N237 | N125-L142 HydrophobicContact CB-CB 4.45Å; N125-L142 WeakPolarHBondContact O-CB 3.15Å; N125-L142 PolarHBondContact O-N 3.07Å; N125-L142 WeakPolarHBondContact OD1-CD1 3.43Å; N140-L142 WeakPolarHBondContact ND2-CD2 3.47Å; N140-L142 PolarHBondContact O-N 3.45Å; L142-T183 CarbonylContact O-C 3.55Å; L142-F184 PolarHBondContact O-N 3.47Å; L142-S185 PolarHBondContact O-N 3.44Å; L142-S185 VanDerWaalsContact O-N 3.07Å; L142-N237 WeakPolarHBondContact CD1-ND2 3.33Å |
| 143 | R | 96.9 | Very high | 91.4 | Very high | 117 Ų | 117 | 58.1 Ų | 58.1 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 162.9 | -177 | 61.9 | -179.9 | 178.5 | -178.7 | -0.1 | 112.1 | N125 P182 T183 W239 | N125-R143 WeakPolarHBondContact CA-O 3.3Å; N125-R143 HydrophobicContact CB-CG 3.95Å; N125-R143 PolarHBondContact N-O 2.98Å; N125-R143 PolarHBondContact O-N 3.39Å; R143-P182 CarbonylContact C-O 3.54Å; R143-P182 WeakPolarHBondContact CA-O 3.14Å; R143-P182 VanDerWaalsContact CB-O 3.25Å; R143-P182 WeakPolarHBondContact CB-O 3.42Å; R143-T183 HydrophobicContact CB-CG2 4.06Å; R143-W239 HydrophobicContact CG-CH2 4.09Å |
| 144 | A | 97.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 157 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | R123 I124 L147 N181 P182 F184 | R123-A144 CarbonylContact O-C 3.53Å; R123-A144 VanDerWaalsContact O-CA 3.23Å; R123-A144 WeakPolarHBondContact O-CA 3.43Å; I124-A144 HydrophobicContact CB-CB 4.5Å; I124-A144 HydrophobicContact CG1-CB 4.43Å; A144-L147 HydrophobicContact CB-CD1 4.05Å; A144-L147 HydrophobicContact CB-CD2 3.98Å; A144-L147 HydrophobicContact CB-CG 4.12Å; A144-N181 CarbonylContact O-C 3.53Å; A144-N181 WeakPolarHBondContact O-CA 3.49Å; A144-P182 HydrophobicContact CB-CG 3.96Å; A144-P182 PolarHBondContact N-O 3.09Å; A144-F184 HydrophobicContact CB-CE2 4.22Å |
| 145 | V | 95.9 | Very high | 90.7 | Very high | 24 Ų | 24 | 48.5 Ų | 48.5 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 151.6 | 179.7 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | G122 R123 L147 N181 W239 | G122-V145 CarbonylContact C-O 3.5Å; G122-V145 WeakPolarHBondContact CA-O 3.49Å; R123-V145 HydrophobicContact CB-CG2 4Å; R123-V145 PolarHBondContact N-O 3.23Å; R123-V145 PolarHBondContact O-N 3Å; V145-L147 PolarHBondContact O-N 3.12Å; V145-N181 WeakPolarHBondContact CA-OD1 3.4Å; V145-N181 WeakPolarHBondContact CB-OD1 3.16Å; V145-W239 HydrophobicContact CG1-CH2 3.91Å; V145-W239 HydrophobicContact CG1-CZ3 4.16Å; V145-W239 HydrophobicContact CG2-CH2 4.24Å; V145-W239 HydrophobicContact CG2-CZ3 3.76Å |
| 146 | D | 93.8 | Very high | 90.6 | Very high | 97 Ų | 97 | 42.6 Ų | 42.6 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 55 | 36.3 | 175.5 | -56.1 | -39.6 | 0 | 0 | 0 | 113.9 | G122 L180 N181 | G122-D146 WeakPolarHBondContact CA-O 3.33Å; G122-D146 PolarHBondContact N-O 2.89Å; D146-L180 PolarHBondContact N-O 3.05Å; D146-N181 PolarHBondContact N-OD1 3.46Å |
| 147 | L | 94 | Very high | 90.5 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 145 | 174.8 | -60.4 | -177.4 | 0 | 0 | 0 | 110.4 | A144 V145 P158 L180 P182 V206 I218 I242 | A144-L147 HydrophobicContact CB-CD1 4.05Å; A144-L147 HydrophobicContact CB-CD2 3.98Å; A144-L147 HydrophobicContact CB-CG 4.12Å; V145-L147 PolarHBondContact O-N 3.12Å; L147-P158 HydrophobicContact CD1-CB 3.57Å; L147-P158 HydrophobicContact CD1-CG 3.92Å; L147-L180 HydrophobicContact CB-CB 4.42Å; L147-L180 WeakPolarHBondContact CB-O 3.09Å; L147-L180 WeakPolarHBondContact CG-O 3.27Å; L147-L180 PolarHBondContact N-O 2.94Å; L147-L180 WeakPolarHBondContact O-CB 3.32Å; L147-L180 WeakPolarHBondContact O-CD1 3.43Å; L147-L180 WeakPolarHBondContact O-CD2 3.33Å; L147-P182 HydrophobicContact CD1-CG 3.86Å; L147-V206 HydrophobicContact CD1-CG1 4.29Å; L147-V206 HydrophobicContact CD2-CG1 4.33Å; L147-I218 HydrophobicContact CD1-CD1 4.31Å; L147-I218 HydrophobicContact CD2-CG2 4.2Å; L147-I242 HydrophobicContact CD2-CD1 3.34Å |
| 148 | P | 91.2 | Very high | 90.6 | Very high | 36 Ų | 36 | 43.2 Ų | 43.2 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 141.5 | 174.7 | 28.4 | -34.6 | 0 | 0 | 0 | 110.9 | K150 S156 I218 | P148-K150 PolarHBondContact O-N 2.86Å; P148-S156 PolarHBondContact O-OG 3.2Å; P148-I218 HydrophobicContact CG-CG1 4.45Å; P148-I218 HydrophobicContact CG-CG2 3.66Å |
| 149 | A | 89.2 | Confident | 90.7 | Very high | 50 Ų | 50 | 40.9 Ų | 40.9 | 41% | 0.413 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -68.9 | 125.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | G154 S156 L180 | A149-G154 WeakPolarHBondContact CB-O 3.35Å; A149-S156 WeakPolarHBondContact CA-OG 3.46Å; A149-L180 HydrophobicContact CB-CD1 4.37Å; A149-L180 HydrophobicContact CB-CD2 4.26Å |
| 150 | K | 85.1 | Confident | 90.8 | Very high | 67 Ų | 67 | 40.9 Ų | 40.9 | 29% | 0.291 | 23% | 0.233 | S | C | . | . | trans | -112.6 | -29.7 | 179.5 | -69 | -63.4 | -172.9 | 167.3 | 0 | 111.8 | P148 T155 S156 D208 D216 I218 | P148-K150 PolarHBondContact O-N 2.86Å; K150-T155 PolarHBondContact N-O 2.84Å; K150-T155 VanDerWaalsContact N-O 3.15Å; K150-S156 PolarHBondContact N-OG 2.95Å; K150-D208 HydrophobicContact CB-CB 3.92Å; K150-D208 WeakPolarHBondContact CB-OD2 3.36Å; K150-D208 HydrophobicContact CG-CB 4.08Å; K150-D216 HydrophobicContact CB-CB 4.37Å; K150-D216 HydrophobicContact CD-CB 4.3Å; K150-D216 HydrophobicContact CG-CB 4.28Å; K150-I218 HydrophobicContact CG-CG1 4.12Å | ||
| 151 | D | 79.9 | Confident | 90.7 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 18% | 0.176 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -72.1 | 150.5 | 172.9 | -65.2 | -49.8 | 0 | 0 | 0 | 112.6 | C153 G154 T155 S156 | D151-C153 VanDerWaalsContact CB-SG 3.6Å; D151-C153 PolarHBondContact O-N 2.83Å; D151-G154 PolarHBondContact O-N 3.13Å; D151-T155 VanDerWaalsContact CB-O 3.24Å; D151-T155 WeakPolarHBondContact CB-O 3.45Å; D151-T155 PolarHBondContact N-O 2.85Å; D151-S156 WeakPolarHBondContact OD2-CA 3.37Å |
| 152 | L | 74 | Confident | 90.5 | Very high | 193 Ų | 193 | 41.4 Ų | 41.4 | 100% | 1.01 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -20.6 | 170.8 | -66.2 | 172.1 | 0 | 0 | 0 | 113.7 | G154 | L152-G154 VanDerWaalsContact C-N 3.27Å; L152-G154 PolarHBondContact O-N 3.43Å |
| 153 | C | 75.1 | Confident | 90.3 | Very high | 84 Ų | 84 | 41.9 Ų | 41.9 | 57% | 0.568 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 5.4 | 179 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | D151 T155 | D151-C153 VanDerWaalsContact CB-SG 3.6Å; D151-C153 PolarHBondContact O-N 2.83Å; C153-T155 VanDerWaalsContact C-N 3.3Å; C153-T155 PolarHBondContact SG-OG1 2.87Å |
| 154 | G | 80.6 | Confident | 89.9 | Confident | 45 Ų | 45 | 36.4 Ų | 36.4 | 46% | 0.464 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 77.2 | 16.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A149 D151 L152 | A149-G154 WeakPolarHBondContact CB-O 3.35Å; D151-G154 PolarHBondContact O-N 3.13Å; L152-G154 VanDerWaalsContact C-N 3.27Å; L152-G154 PolarHBondContact O-N 3.43Å |
| 155 | T | 89 | Confident | 89.3 | Confident | 33 Ų | 33 | 39.4 Ų | 39.4 | 20% | 0.202 | 23% | 0.228 | C | C | . | . | trans | -124.9 | -173 | 172.1 | 61.7 | 0 | 0 | 0 | 0 | 110.5 | K150 D151 C153 K178 | K150-T155 PolarHBondContact N-O 2.84Å; K150-T155 VanDerWaalsContact N-O 3.15Å; D151-T155 VanDerWaalsContact CB-O 3.24Å; D151-T155 WeakPolarHBondContact CB-O 3.45Å; D151-T155 PolarHBondContact N-O 2.85Å; C153-T155 VanDerWaalsContact C-N 3.3Å; C153-T155 PolarHBondContact SG-OG1 2.87Å; T155-K178 HydrophobicContact CG2-CB 4.32Å; T155-K178 WeakPolarHBondContact OG1-CA 3.43Å | ||
| 156 | S | 92 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -138.6 | 158.6 | 167.7 | -57 | 0 | 0 | 0 | 0 | 107.6 | P148 A149 K150 D151 P158 K178 T179 D208 | P148-S156 PolarHBondContact O-OG 3.2Å; A149-S156 WeakPolarHBondContact CA-OG 3.46Å; K150-S156 PolarHBondContact N-OG 2.95Å; D151-S156 WeakPolarHBondContact OD2-CA 3.37Å; S156-P158 WeakPolarHBondContact O-CD 3.49Å; S156-K178 CarbonylContact O-C 3.34Å; S156-K178 WeakPolarHBondContact O-CA 3.31Å; S156-K178 PolarHBondContact O-N 2.82Å; S156-K178 VanDerWaalsContact O-N 3.16Å; S156-T179 PolarHBondContact O-N 3.3Å; S156-T179 VanDerWaalsContact O-O 3.11Å; S156-D208 WeakPolarHBondContact CA-OD1 3.47Å; S156-D208 WeakPolarHBondContact CB-OD1 3.24Å | ||
| 157 | D | 93.4 | Very high | 87.7 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | trans | -102.1 | 68.7 | 167.4 | -74.3 | -3 | 0 | 0 | 0 | 110 | V175 H176 R177 K178 D208 F209 | D157-V175 HydrophobicContact CB-CG1 3.94Å; D157-H176 CarbonylContact C-O 3.51Å; D157-H176 WeakPolarHBondContact CA-O 3.17Å; D157-R177 WeakPolarHBondContact OD1-CA 3.18Å; D157-R177 WeakPolarHBondContact OD1-CB 3.36Å; D157-R177 IonicContact OD2-NE 2.74Å; D157-R177 PolarHBondContact OD2-NE 2.98Å; D157-R177 IonicContact OD2-NH2 2.67Å; D157-K178 PolarHBondContact OD1-N 3.38Å; D157-D208 WeakPolarHBondContact CA-OD1 3.31Å; D157-D208 PolarHBondContact N-OD1 2.86Å; D157-F209 HydrophobicContact CB-CB 3.93Å; D157-F209 WeakPolarHBondContact CB-O 3.44Å; D157-F209 VanDerWaalsContact O-CB 3.29Å; D157-F209 WeakPolarHBondContact O-CB 3.4Å; D157-F209 PolarHBondContact O-N 2.91Å | ||
| 158 | P | 96 | Very high | 86.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 146.5 | -168.4 | 28.4 | -39.7 | 0 | 0 | 0 | 115.3 | L147 S156 H176 T179 P182 F207 I218 | L147-P158 HydrophobicContact CD1-CB 3.57Å; L147-P158 HydrophobicContact CD1-CG 3.92Å; S156-P158 WeakPolarHBondContact O-CD 3.49Å; P158-H176 WeakPolarHBondContact CD-O 3.43Å; P158-H176 PolarHBondContact O-N 3.48Å; P158-T179 WeakPolarHBondContact CD-O 3.17Å; P158-T179 HydrophobicContact CG-CG2 3.99Å; P158-T179 WeakPolarHBondContact CG-O 3.46Å; P158-P182 HydrophobicContact CB-CG 4.05Å; P158-P182 HydrophobicContact CG-CB 3.76Å; P158-P182 HydrophobicContact CG-CG 3.52Å; P158-F207 CarbonylContact C-O 3.56Å; P158-F207 VanDerWaalsContact CA-O 3.22Å; P158-F207 WeakPolarHBondContact CA-O 3.41Å; P158-I218 HydrophobicContact CB-CD1 4.48Å |
| 159 | Y | 96.9 | Very high | 86 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 159.7 | 166.5 | 75 | -79.5 | 0 | 0 | 0 | 111.2 | K161 Q172 V175 F207 F209 H215 | Y159-K161 HydrophobicContact CD2-CG 4.49Å; Y159-K161 HydrophobicContact CE2-CD 4.37Å; Y159-K161 HydrophobicContact CE2-CG 3.91Å; Y159-K161 WeakPolarHBondContact OH-CE 3.34Å; Y159-K161 PolarHBondContact OH-NZ 3.19Å; Y159-Q172 HydrophobicContact CD2-CG 3.52Å; Y159-Q172 HydrophobicContact CE2-CG 3.83Å; Y159-V175 HydrophobicContact CD1-CG2 4.15Å; Y159-V175 HydrophobicContact CG-CG2 4.14Å; Y159-F207 HydrophobicContact CD1-CB 3.89Å; Y159-F207 HydrophobicContact CE1-CB 3.25Å; Y159-F207 HydrophobicContact CE1-CG 4.22Å; Y159-F207 HydrophobicContact CE2-CB 4.17Å; Y159-F207 HydrophobicContact CE2-CD2 4.38Å; Y159-F207 AromaticContact CZ-CG 3.88Å; Y159-F207 PolarHBondContact N-O 3.4Å; Y159-F207 PolarHBondContact O-N 3.29Å; Y159-F207 WeakPolarHBondContact OH-CB 3.45Å; Y159-F207 WeakPolarHBondContact OH-CG 3.45Å; Y159-F209 HydrophobicContact CD1-CB 3.98Å; Y159-F209 HydrophobicContact CE1-CB 4.16Å; Y159-H215 HydrophobicContact CE1-CB 4.29Å; Y159-H215 AromaticContact CE1-ND1 3.43Å; Y159-H215 WeakPolarHBondContact CE1-ND1 3.39Å; Y159-H215 AromaticContact CZ-ND1 3.42Å; Y159-H215 PolarHBondContact OH-ND1 2.97Å |
| 160 | V | 96.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 133.7 | -175.6 | -170.8 | 0 | 0 | 0 | 0 | 110.4 | I124 I141 V162 Q172 T173 F184 M204 S205 V206 | I124-V160 HydrophobicContact CD1-CG1 4.16Å; I124-V160 HydrophobicContact CD1-CG2 3.98Å; I141-V160 HydrophobicContact CG2-CG2 4.31Å; V160-V162 HydrophobicContact CG1-CG2 4.18Å; V160-Q172 WeakPolarHBondContact O-CA 3.35Å; V160-T173 HydrophobicContact CB-CG2 3.97Å; V160-T173 PolarHBondContact N-OG1 2.86Å; V160-T173 PolarHBondContact O-N 2.98Å; V160-F184 HydrophobicContact CG2-CD2 4.4Å; V160-F184 HydrophobicContact CG2-CE1 4.28Å; V160-F184 HydrophobicContact CG2-CE2 3.74Å; V160-F184 HydrophobicContact CG2-CZ 3.67Å; V160-M204 HydrophobicContact CG1-CB 4.2Å; V160-S205 WeakPolarHBondContact CA-O 3.26Å; V160-V206 HydrophobicContact CG2-CG2 4.27Å |
| 161 | K | 93.5 | Very high | 86.1 | Confident | 36 Ų | 36 | 58 Ų | 58 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.8 | 166.3 | -64.8 | -178.6 | -170 | 159.6 | 0 | 109.3 | Y159 Y163 F171 Q172 M204 S205 F207 | Y159-K161 HydrophobicContact CD2-CG 4.49Å; Y159-K161 HydrophobicContact CE2-CD 4.37Å; Y159-K161 HydrophobicContact CE2-CG 3.91Å; Y159-K161 WeakPolarHBondContact OH-CE 3.34Å; Y159-K161 PolarHBondContact OH-NZ 3.19Å; K161-Y163 HydrophobicContact CB-CE2 3.79Å; K161-F171 WeakPolarHBondContact CA-O 3.18Å; K161-Q172 HydrophobicContact CG-CG 4.18Å; K161-M204 CarbonylContact O-C 3.53Å; K161-M204 WeakPolarHBondContact O-CA 3.22Å; K161-S205 PolarHBondContact N-O 2.85Å; K161-S205 PolarHBondContact O-N 3.2Å; K161-F207 HydrophobicContact CD-CD2 4.13Å; K161-F207 HydrophobicContact CD-CE2 3.74Å; K161-F207 HydrophobicContact CG-CD2 4.25Å; K161-F207 HydrophobicContact CG-CE2 4.23Å |
| 162 | V | 94.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 129.1 | -176.6 | -168.6 | 0 | 0 | 0 | 0 | 109.6 | V139 I141 V160 K170 F171 F188 F190 L202 H203 M204 | V139-V162 HydrophobicContact CG1-CG1 4.21Å; I141-V162 HydrophobicContact CD1-CG2 4.06Å; I141-V162 HydrophobicContact CG1-CG2 4.03Å; V160-V162 HydrophobicContact CG1-CG2 4.18Å; V162-K170 WeakPolarHBondContact O-CA 3.48Å; V162-F171 PolarHBondContact N-O 2.72Å; V162-F171 PolarHBondContact O-N 2.89Å; V162-F188 HydrophobicContact CG2-CD2 4.11Å; V162-F188 HydrophobicContact CG2-CE2 4.11Å; V162-F190 HydrophobicContact CB-CZ 4.21Å; V162-F190 HydrophobicContact CG1-CE2 3.89Å; V162-F190 HydrophobicContact CG1-CZ 3.73Å; V162-L202 HydrophobicContact CG1-CD1 3.52Å; V162-H203 WeakPolarHBondContact CA-O 3.05Å; V162-M204 HydrophobicContact CG1-CG 4.1Å; V162-M204 HydrophobicContact CG2-CG 4.29Å |
| 163 | Y | 90.6 | Very high | 87.8 | Confident | 46 Ų | 46 | 52 Ų | 52 | 18% | 0.18 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 143.7 | 179.3 | -54.8 | -95.3 | 0 | 0 | 0 | 110.3 | K161 K170 L202 H203 | K161-Y163 HydrophobicContact CB-CE2 3.79Å; Y163-K170 HydrophobicContact CD1-CB 3.57Å; Y163-K170 HydrophobicContact CE1-CB 3.28Å; Y163-K170 HydrophobicContact CE1-CD 3.82Å; Y163-K170 HydrophobicContact CE1-CG 4.18Å; Y163-K170 HydrophobicContact CG-CB 4.43Å; Y163-L202 WeakPolarHBondContact O-CD1 3.25Å; Y163-H203 AromaticContact CD2-ND1 3.79Å; Y163-H203 PolarHBondContact N-O 3.5Å; Y163-H203 PolarHBondContact O-N 3.33Å |
| 164 | L | 89.5 | Confident | 88.8 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 87.4 | 168.8 | -173 | 67.8 | 0 | 0 | 0 | 109.2 | L137 D167 F190 V192 R200 K201 L202 L226 | L137-L164 HydrophobicContact CD2-CD1 4.01Å; L164-D167 WeakPolarHBondContact O-CB 3.46Å; L164-D167 PolarHBondContact O-N 3.3Å; L164-F190 HydrophobicContact CB-CB 4.46Å; L164-F190 HydrophobicContact CB-CD1 3.53Å; L164-F190 HydrophobicContact CB-CE1 3.81Å; L164-F190 HydrophobicContact CB-CG 4Å; L164-F190 HydrophobicContact CB-CZ 4.48Å; L164-F190 HydrophobicContact CD2-CB 3.71Å; L164-F190 HydrophobicContact CD2-CD1 4.32Å; L164-F190 HydrophobicContact CD2-CG 4.14Å; L164-V192 HydrophobicContact CD2-CB 4.07Å; L164-V192 HydrophobicContact CD2-CG1 3.9Å; L164-V192 HydrophobicContact CD2-CG2 4.36Å; L164-R200 HydrophobicContact CD1-CB 3.84Å; L164-R200 HydrophobicContact CD1-CG 4.49Å; L164-R200 HydrophobicContact CD2-CG 4.44Å; L164-R200 HydrophobicContact CG-CB 4.15Å; L164-R200 HydrophobicContact CG-CG 4.33Å; L164-K201 CarbonylContact C-O 3.58Å; L164-L202 HydrophobicContact CD1-CB 4.5Å; L164-L226 HydrophobicContact CD1-CD1 4.33Å |
| 165 | L | 84.4 | Confident | 89.6 | Confident | 63 Ų | 63 | 57.2 Ų | 57.2 | 33% | 0.33 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 142.6 | -175.4 | -59 | 177.2 | 0 | 0 | 0 | 110.9 | R200 K201 H203 | L165-R200 WeakPolarHBondContact O-CA 3.18Å; L165-R200 VanDerWaalsContact O-CD 3.31Å; L165-R200 WeakPolarHBondContact O-CD 3.3Å; L165-K201 HydrophobicContact CB-CB 4.24Å; L165-K201 PolarHBondContact N-O 2.98Å; L165-K201 PolarHBondContact O-N 2.8Å; L165-K201 VanDerWaalsContact O-N 3.12Å; L165-H203 HydrophobicContact CD1-CB 3.97Å; L165-H203 HydrophobicContact CG-CB 4.23Å |
| 166 | P | 79.8 | Confident | 89.9 | Confident | 104 Ų | 104 | 58 Ų | 58 | 68% | 0.675 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.2 | 9.6 | 9.9 | 36.3 | -37.2 | 0 | 0 | 0 | 115.1 | ||
| 167 | D | 77.5 | Confident | 89.9 | Confident | 70 Ų | 70 | 66 Ų | 66 | 37% | 0.374 | 29% | 0.294 | S | S | . | . | trans | -63.1 | 147.2 | 178.7 | -166 | 2.9 | 0 | 0 | 0 | 110.8 | L164 K169 | L164-D167 WeakPolarHBondContact O-CB 3.46Å; L164-D167 PolarHBondContact O-N 3.3Å; D167-K169 PolarHBondContact OD1-N 2.86Å; D167-K169 VanDerWaalsContact OD1-N 3.15Å; D167-K169 WeakPolarHBondContact OD2-CB 3.4Å | ||
| 168 | R | 70.4 | Confident | 89.9 | Confident | 224 Ų | 224 | 72.4 Ų | 72.4 | 85% | 0.845 | 32% | 0.321 | S | S | * | . | trans | -92 | -11.7 | 177.4 | -64.2 | -175.5 | 173.8 | -169.6 | -3.6 | 112.2 | K170 | R168-K170 PolarHBondContact O-N 3.13Š| ||
| 169 | K | 77.7 | Confident | 89.9 | Confident | 102 Ų | 102 | 74.2 Ų | 74.2 | 44% | 0.443 | 33% | 0.332 | S | S | . | . | trans | -64.3 | 132.7 | 174.7 | -168.8 | 178.3 | 179.7 | -176.3 | 0 | 109.9 | D167 F171 | D167-K169 PolarHBondContact OD1-N 2.86Å; D167-K169 VanDerWaalsContact OD1-N 3.15Å; D167-K169 WeakPolarHBondContact OD2-CB 3.4Å; K169-F171 HydrophobicContact CD-CE2 4.46Å; K169-F171 HydrophobicContact CD-CZ 4.5Å | ||
| 170 | K | 85.4 | Confident | 89.8 | Confident | 121 Ų | 121 | 76.4 Ų | 76.4 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 145.1 | -179 | 72.7 | -170.5 | 178.1 | -170 | 0 | 111 | V162 Y163 R168 | V162-K170 WeakPolarHBondContact O-CA 3.48Å; Y163-K170 HydrophobicContact CD1-CB 3.57Å; Y163-K170 HydrophobicContact CE1-CB 3.28Å; Y163-K170 HydrophobicContact CE1-CD 3.82Å; Y163-K170 HydrophobicContact CE1-CG 4.18Å; Y163-K170 HydrophobicContact CG-CB 4.43Å; R168-K170 PolarHBondContact O-N 3.13Å |
| 171 | F | 91.2 | Very high | 89.7 | Confident | 48 Ų | 48 | 80.3 Ų | 80.3 | 21% | 0.211 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 158.4 | 166.6 | -67.3 | -85.3 | 0 | 0 | 0 | 110.2 | K161 V162 K169 F188 Q189 F190 | K161-F171 WeakPolarHBondContact CA-O 3.18Å; V162-F171 PolarHBondContact N-O 2.72Å; V162-F171 PolarHBondContact O-N 2.89Å; K169-F171 HydrophobicContact CD-CE2 4.46Å; K169-F171 HydrophobicContact CD-CZ 4.5Å; F171-F188 HydrophobicContact CB-CB 4.13Å; F171-F188 HydrophobicContact CB-CD1 3.44Å; F171-F188 VanDerWaalsContact CB-CD1 3.44Å; F171-F188 HydrophobicContact CB-CD2 4.22Å; F171-F188 HydrophobicContact CB-CE1 3.83Å; F171-F188 HydrophobicContact CB-CG 3.65Å; F171-F188 HydrophobicContact CB-CZ 4.36Å; F171-F188 HydrophobicContact CD1-CB 4.37Å; F171-F188 AromaticContact CD1-CD1 3.69Å; F171-F188 HydrophobicContact CD1-CD1 3.69Å; F171-F188 HydrophobicContact CD1-CE1 4.42Å; F171-F188 HydrophobicContact CD1-CG 4.34Å; F171-F188 HydrophobicContact CD2-CB 4.13Å; F171-F188 HydrophobicContact CG-CB 3.96Å; F171-F188 AromaticContact CG-CD1 3.71Å; F171-F188 HydrophobicContact CG-CD1 3.71Å; F171-F188 HydrophobicContact CG-CE1 4.47Å; F171-F188 AromaticContact CG-CG 3.96Å; F171-F188 HydrophobicContact CG-CG 3.96Å; F171-Q189 WeakPolarHBondContact CE2-O 3.35Å; F171-Q189 VanDerWaalsContact CZ-O 3.23Å; F171-Q189 WeakPolarHBondContact CZ-O 3.25Å; F171-F190 HydrophobicContact CD2-CD1 4.15Å; F171-F190 AromaticContact CD2-CE1 3.49Å; F171-F190 HydrophobicContact CD2-CE1 3.49Å; F171-F190 VanDerWaalsContact CD2-CE1 3.49Å; F171-F190 AromaticContact CD2-CE2 3.97Å; F171-F190 HydrophobicContact CD2-CE2 3.97Å; F171-F190 AromaticContact CD2-CZ 3.4Å; F171-F190 HydrophobicContact CD2-CZ 3.4Å; F171-F190 VanDerWaalsContact CD2-CZ 3.4Å; F171-F190 AromaticContact CE2-CD1 3.84Å; F171-F190 HydrophobicContact CE2-CD1 3.84Å; F171-F190 HydrophobicContact CE2-CD2 4.46Å; F171-F190 AromaticContact CE2-CE1 3.66Å; F171-F190 HydrophobicContact CE2-CE1 3.66Å; F171-F190 HydrophobicContact CE2-CE2 4.3Å; F171-F190 HydrophobicContact CE2-CG 4.25Å; F171-F190 AromaticContact CE2-CZ 3.92Å; F171-F190 HydrophobicContact CE2-CZ 3.92Å; F171-F190 HydrophobicContact CG-CZ 4.49Å |
| 172 | Q | 93.1 | Very high | 89.9 | Confident | 94 Ų | 94 | 78.7 Ų | 78.7 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 135.1 | -177.9 | -166.8 | -173.2 | -60.3 | 0 | 0 | 109.7 | Y159 V160 K161 | Y159-Q172 HydrophobicContact CD2-CG 3.52Å; Y159-Q172 HydrophobicContact CE2-CG 3.83Å; V160-Q172 WeakPolarHBondContact O-CA 3.35Å; K161-Q172 HydrophobicContact CG-CG 4.18Å |
| 173 | T | 96.9 | Very high | 90 | Very high | 5 Ų | 5 | 82.8 Ų | 82.8 | 3% | 0.031 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 168.4 | 170.9 | 69 | 0 | 0 | 0 | 0 | 111.3 | I141 V160 F184 E186 F188 | I141-T173 HydrophobicContact CB-CG2 4.28Å; I141-T173 HydrophobicContact CG1-CG2 4.42Å; I141-T173 HydrophobicContact CG2-CG2 4.26Å; V160-T173 HydrophobicContact CB-CG2 3.97Å; V160-T173 PolarHBondContact N-OG1 2.86Å; V160-T173 PolarHBondContact O-N 2.98Å; T173-F184 HydrophobicContact CG2-CB 4.39Å; T173-F184 HydrophobicContact CG2-CD1 4.11Å; T173-F184 HydrophobicContact CG2-CG 4.28Å; T173-E186 WeakPolarHBondContact CA-OE1 3.24Å; T173-E186 VanDerWaalsContact CB-OE1 3.31Å; T173-E186 WeakPolarHBondContact CB-OE1 3.33Å; T173-E186 HydrophobicContact CG2-CB 4.49Å; T173-F188 HydrophobicContact CG2-CE2 3.85Å; T173-F188 HydrophobicContact CG2-CZ 3.84Å |
| 174 | R | 96.3 | Very high | 90.3 | Very high | 190 Ų | 190 | 81.2 Ų | 81.2 | 72% | 0.717 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 155.8 | 164.3 | -61.4 | 176.4 | -172.4 | -170 | 2.2 | 110.3 | E186 | R174-E186 WeakPolarHBondContact CB-OE1 3.45Å; R174-E186 PolarHBondContact N-OE1 3.48Å; R174-E186 PolarHBondContact N-OE2 3.15Å |
| 175 | V | 96.3 | Very high | 90.5 | Very high | 49 Ų | 49 | 85.3 Ų | 85.3 | 30% | 0.297 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 124 | 174.5 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | D157 Y159 F209 | D157-V175 HydrophobicContact CB-CG1 3.94Å; Y159-V175 HydrophobicContact CD1-CG2 4.15Å; Y159-V175 HydrophobicContact CG-CG2 4.14Å; V175-F209 HydrophobicContact CB-CB 4.4Å; V175-F209 HydrophobicContact CG1-CB 3.48Å; V175-F209 VanDerWaalsContact CG1-CB 3.48Å; V175-F209 HydrophobicContact CG1-CD1 4.15Å; V175-F209 HydrophobicContact CG1-CG 3.81Å; V175-F209 HydrophobicContact CG2-CB 3.96Å; V175-F209 HydrophobicContact CG2-CD2 3.88Å; V175-F209 HydrophobicContact CG2-CG 3.97Å |
| 176 | H | 95.5 | Very high | 91.1 | Very high | 51 Ų | 51 | 84 Ų | 84 | 24% | 0.236 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 122.6 | 173.9 | -73.1 | -100.6 | 0 | 0 | 0 | 109.1 | D157 P158 T179 P182 T183 F184 | D157-H176 CarbonylContact C-O 3.51Å; D157-H176 WeakPolarHBondContact CA-O 3.17Å; P158-H176 WeakPolarHBondContact CD-O 3.43Å; P158-H176 PolarHBondContact O-N 3.48Å; H176-T179 HydrophobicContact CB-CG2 3.72Å; H176-P182 HydrophobicContact CB-CB 3.9Å; H176-T183 PolarHBondContact CE1-O 3.49Å; H176-T183 PolarHBondContact NE2-O 3.08Å; H176-F184 AromaticContact CD2-CD1 3.43Å; H176-F184 VanDerWaalsContact CD2-CD1 3.43Å; H176-F184 WeakPolarHBondContact CD2-CD1 3.15Å; H176-F184 AromaticContact CD2-CE1 3.61Å; H176-F184 AromaticContact NE2-CD1 3.63Å |
| 177 | R | 93.7 | Very high | 91.9 | Very high | 167 Ų | 167 | 83 Ų | 83 | 63% | 0.63 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -88.4 | 141.9 | -170.6 | -51.9 | -172.2 | 85.3 | 163.4 | 8.2 | 112.4 | D157 T179 | D157-R177 WeakPolarHBondContact OD1-CA 3.18Å; D157-R177 WeakPolarHBondContact OD1-CB 3.36Å; D157-R177 IonicContact OD2-NE 2.74Å; D157-R177 PolarHBondContact OD2-NE 2.98Å; D157-R177 IonicContact OD2-NH2 2.67Å; R177-T179 PolarHBondContact O-N 3.47Å |
| 178 | K | 92.6 | Very high | 92.7 | Very high | 148 Ų | 148 | 80.7 Ų | 80.7 | 64% | 0.643 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 51.2 | 49.9 | 171.6 | -58.2 | -176.4 | 177.2 | -174.4 | 0 | 113.2 | T155 S156 D157 | T155-K178 HydrophobicContact CG2-CB 4.32Å; T155-K178 WeakPolarHBondContact OG1-CA 3.43Å; S156-K178 CarbonylContact O-C 3.34Å; S156-K178 WeakPolarHBondContact O-CA 3.31Å; S156-K178 PolarHBondContact O-N 2.82Å; S156-K178 VanDerWaalsContact O-N 3.16Å; D157-K178 PolarHBondContact OD1-N 3.38Å |
| 179 | T | 95.1 | Very high | 93.9 | Very high | 37 Ų | 37 | 74 Ų | 74 | 23% | 0.227 | 36% | 0.359 | C | S | . | . | trans | -142.8 | 139.9 | 179.6 | -176.8 | 0 | 0 | 0 | 0 | 112 | S156 P158 H176 R177 N181 P182 | S156-T179 PolarHBondContact O-N 3.3Å; S156-T179 VanDerWaalsContact O-O 3.11Å; P158-T179 WeakPolarHBondContact CD-O 3.17Å; P158-T179 HydrophobicContact CG-CG2 3.99Å; P158-T179 WeakPolarHBondContact CG-O 3.46Å; H176-T179 HydrophobicContact CB-CG2 3.72Å; R177-T179 PolarHBondContact O-N 3.47Å; T179-N181 PolarHBondContact OG1-N 3.24Å; T179-N181 VanDerWaalsContact OG1-N 3.11Å; T179-P182 HydrophobicContact CG2-CB 3.94Å | ||
| 180 | L | 94.5 | Very high | 94.7 | Very high | 47 Ų | 47 | 69.3 Ų | 69.3 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -99.3 | -2.8 | 171.4 | -56.2 | -177.3 | 0 | 0 | 0 | 112.2 | D146 L147 A149 | D146-L180 PolarHBondContact N-O 3.05Å; L147-L180 HydrophobicContact CB-CB 4.42Å; L147-L180 WeakPolarHBondContact CB-O 3.09Å; L147-L180 WeakPolarHBondContact CG-O 3.27Å; L147-L180 PolarHBondContact N-O 2.94Å; L147-L180 WeakPolarHBondContact O-CB 3.32Å; L147-L180 WeakPolarHBondContact O-CD1 3.43Å; L147-L180 WeakPolarHBondContact O-CD2 3.33Å; A149-L180 HydrophobicContact CB-CD1 4.37Å; A149-L180 HydrophobicContact CB-CD2 4.26Å |
| 181 | N | 96.1 | Very high | 95.1 | Very high | 83 Ų | 83 | 67.9 Ų | 67.9 | 44% | 0.444 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -133.4 | 61.9 | -178 | -60.7 | -80.2 | 0 | 0 | 0 | 110.2 | A144 V145 D146 T179 | A144-N181 CarbonylContact O-C 3.53Å; A144-N181 WeakPolarHBondContact O-CA 3.49Å; V145-N181 WeakPolarHBondContact CA-OD1 3.4Å; V145-N181 WeakPolarHBondContact CB-OD1 3.16Å; D146-N181 PolarHBondContact N-OD1 3.46Å; T179-N181 PolarHBondContact OG1-N 3.24Å; T179-N181 VanDerWaalsContact OG1-N 3.11Å |
| 182 | P | 96.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | trans | -68.8 | 142 | -176.5 | 30.7 | -37.7 | 0 | 0 | 0 | 111.9 | R143 A144 L147 P158 H176 T179 F184 | R143-P182 CarbonylContact C-O 3.54Å; R143-P182 WeakPolarHBondContact CA-O 3.14Å; R143-P182 VanDerWaalsContact CB-O 3.25Å; R143-P182 WeakPolarHBondContact CB-O 3.42Å; A144-P182 HydrophobicContact CB-CG 3.96Å; A144-P182 PolarHBondContact N-O 3.09Å; L147-P182 HydrophobicContact CD1-CG 3.86Å; P158-P182 HydrophobicContact CB-CG 4.05Å; P158-P182 HydrophobicContact CG-CB 3.76Å; P158-P182 HydrophobicContact CG-CG 3.52Å; H176-P182 HydrophobicContact CB-CB 3.9Å; T179-P182 HydrophobicContact CG2-CB 3.94Å; P182-F184 HydrophobicContact CB-CE1 3.96Å; P182-F184 HydrophobicContact CB-CE2 3.95Å; P182-F184 HydrophobicContact CB-CZ 3.62Å; P182-F184 HydrophobicContact CG-CD2 4.49Å; P182-F184 HydrophobicContact CG-CE1 4.21Å; P182-F184 HydrophobicContact CG-CE2 3.54Å; P182-F184 HydrophobicContact CG-CZ 3.37Å | ||
| 183 | T | 97 | Very high | 95.1 | Very high | 87 Ų | 87 | 63.7 Ų | 63.7 | 53% | 0.534 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 103 | 168.2 | 53.3 | 0 | 0 | 0 | 0 | 108.9 | L142 R143 H176 | L142-T183 CarbonylContact O-C 3.55Å; R143-T183 HydrophobicContact CB-CG2 4.06Å; H176-T183 PolarHBondContact CE1-O 3.49Å; H176-T183 PolarHBondContact NE2-O 3.08Å |
| 184 | F | 96.3 | Very high | 94.8 | Very high | 12 Ų | 12 | 67.7 Ų | 67.7 | 5% | 0.053 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -55.6 | -176.2 | -57.6 | -75.2 | 0 | 0 | 0 | 111 | I141 L142 A144 V160 T173 H176 P182 E186 | I141-F184 HydrophobicContact CG2-CB 4.15Å; I141-F184 HydrophobicContact CG2-CD2 3.69Å; I141-F184 HydrophobicContact CG2-CE2 4.4Å; I141-F184 HydrophobicContact CG2-CG 4.1Å; L142-F184 PolarHBondContact O-N 3.47Å; A144-F184 HydrophobicContact CB-CE2 4.22Å; V160-F184 HydrophobicContact CG2-CD2 4.4Å; V160-F184 HydrophobicContact CG2-CE1 4.28Å; V160-F184 HydrophobicContact CG2-CE2 3.74Å; V160-F184 HydrophobicContact CG2-CZ 3.67Å; T173-F184 HydrophobicContact CG2-CB 4.39Å; T173-F184 HydrophobicContact CG2-CD1 4.11Å; T173-F184 HydrophobicContact CG2-CG 4.28Å; H176-F184 AromaticContact CD2-CD1 3.43Å; H176-F184 VanDerWaalsContact CD2-CD1 3.43Å; H176-F184 WeakPolarHBondContact CD2-CD1 3.15Å; H176-F184 AromaticContact CD2-CE1 3.61Å; H176-F184 AromaticContact NE2-CD1 3.63Å; P182-F184 HydrophobicContact CB-CE1 3.96Å; P182-F184 HydrophobicContact CB-CE2 3.95Å; P182-F184 HydrophobicContact CB-CZ 3.62Å; P182-F184 HydrophobicContact CG-CD2 4.49Å; P182-F184 HydrophobicContact CG-CE1 4.21Å; P182-F184 HydrophobicContact CG-CE2 3.54Å; P182-F184 HydrophobicContact CG-CZ 3.37Å; F184-E186 VanDerWaalsContact C-N 3.32Å; F184-E186 PolarHBondContact O-N 3.49Å |
| 185 | S | 95.1 | Very high | 94.5 | Very high | 89 Ų | 89 | 65.4 Ų | 65.4 | 62% | 0.622 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.3 | 48.6 | -173.9 | -58 | 0 | 0 | 0 | 0 | 112.9 | I141 L142 | I141-S185 VanDerWaalsContact O-CA 3.31Å; I141-S185 WeakPolarHBondContact O-CA 3.27Å; I141-S185 PolarHBondContact O-N 3.24Å; L142-S185 PolarHBondContact O-N 3.44Å; L142-S185 VanDerWaalsContact O-N 3.07Å |
| 186 | E | 96.6 | Very high | 94.3 | Very high | 34 Ų | 34 | 67 Ų | 67 | 16% | 0.159 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133 | -177.4 | -70.7 | -176.6 | -113.5 | 0 | 0 | 111.4 | N140 I141 T173 R174 F184 F188 | N140-E186 CarbonylContact C-O 3.46Å; N140-E186 WeakPolarHBondContact CA-O 3.36Å; N140-E186 PolarHBondContact OD1-O 3.46Å; I141-E186 PolarHBondContact N-O 3.37Å; I141-E186 PolarHBondContact O-N 3.28Å; T173-E186 WeakPolarHBondContact CA-OE1 3.24Å; T173-E186 VanDerWaalsContact CB-OE1 3.31Å; T173-E186 WeakPolarHBondContact CB-OE1 3.33Å; T173-E186 HydrophobicContact CG2-CB 4.49Å; R174-E186 WeakPolarHBondContact CB-OE1 3.45Å; R174-E186 PolarHBondContact N-OE1 3.48Å; R174-E186 PolarHBondContact N-OE2 3.15Å; F184-E186 VanDerWaalsContact C-N 3.32Å; F184-E186 PolarHBondContact O-N 3.49Å; E186-F188 HydrophobicContact CB-CE2 4.35Å; E186-F188 HydrophobicContact CB-CZ 4.05Å |
| 187 | S | 95.6 | Very high | 93.9 | Very high | 85 Ų | 85 | 64.5 Ų | 64.5 | 59% | 0.594 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.7 | -178.6 | -56 | 0 | 0 | 0 | 0 | 112.2 | V139 N140 | V139-S187 WeakPolarHBondContact O-CA 3.31Å; N140-S187 VanDerWaalsContact CG-OG 3.28Å; N140-S187 PolarHBondContact OD1-OG 2.69Å; N140-S187 VanDerWaalsContact OD1-OG 3.09Å |
| 188 | F | 95.8 | Very high | 93.7 | Very high | 20 Ų | 20 | 60.1 Ų | 60.1 | 9% | 0.088 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 143.3 | -179.9 | -54.7 | -64.3 | 0 | 0 | 0 | 110.5 | L138 V139 I141 V162 F171 T173 E186 F190 | L138-F188 WeakPolarHBondContact CA-O 3.48Å; V139-F188 PolarHBondContact N-O 3.05Å; V139-F188 PolarHBondContact O-N 3.42Å; I141-F188 HydrophobicContact CG1-CD2 4.13Å; I141-F188 HydrophobicContact CG1-CE2 3.85Å; V162-F188 HydrophobicContact CG2-CD2 4.11Å; V162-F188 HydrophobicContact CG2-CE2 4.11Å; F171-F188 HydrophobicContact CB-CB 4.13Å; F171-F188 HydrophobicContact CB-CD1 3.44Å; F171-F188 VanDerWaalsContact CB-CD1 3.44Å; F171-F188 HydrophobicContact CB-CD2 4.22Å; F171-F188 HydrophobicContact CB-CE1 3.83Å; F171-F188 HydrophobicContact CB-CG 3.65Å; F171-F188 HydrophobicContact CB-CZ 4.36Å; F171-F188 HydrophobicContact CD1-CB 4.37Å; F171-F188 AromaticContact CD1-CD1 3.69Å; F171-F188 HydrophobicContact CD1-CD1 3.69Å; F171-F188 HydrophobicContact CD1-CE1 4.42Å; F171-F188 HydrophobicContact CD1-CG 4.34Å; F171-F188 HydrophobicContact CD2-CB 4.13Å; F171-F188 HydrophobicContact CG-CB 3.96Å; F171-F188 AromaticContact CG-CD1 3.71Å; F171-F188 HydrophobicContact CG-CD1 3.71Å; F171-F188 HydrophobicContact CG-CE1 4.47Å; F171-F188 AromaticContact CG-CG 3.96Å; F171-F188 HydrophobicContact CG-CG 3.96Å; T173-F188 HydrophobicContact CG2-CE2 3.85Å; T173-F188 HydrophobicContact CG2-CZ 3.84Å; E186-F188 HydrophobicContact CB-CE2 4.35Å; E186-F188 HydrophobicContact CB-CZ 4.05Å; F188-F190 HydrophobicContact CB-CE2 4.22Å |
| 189 | Q | 94.9 | Very high | 93.5 | Very high | 84 Ų | 84 | 58.4 Ų | 58.4 | 39% | 0.393 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.2 | -179.6 | -174.5 | 177.4 | 14.2 | 0 | 0 | 110.2 | A136 L138 F171 | A136-Q189 HydrophobicContact CB-CG 3.46Å; A136-Q189 VanDerWaalsContact CB-CG 3.46Å; A136-Q189 VanDerWaalsContact CB-NE2 3.31Å; L138-Q189 HydrophobicContact CD2-CB 3.88Å; L138-Q189 HydrophobicContact CD2-CG 3.8Å; F171-Q189 WeakPolarHBondContact CE2-O 3.35Å; F171-Q189 VanDerWaalsContact CZ-O 3.23Å; F171-Q189 WeakPolarHBondContact CZ-O 3.25Å |
| 190 | F | 94.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 58.5 Ų | 58.5 | 1% | 0.013 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 110.2 | 174.7 | -67 | -90.5 | 0 | 0 | 0 | 109.4 | A136 L137 V139 V162 L164 F171 F188 V192 | A136-F190 CarbonylContact C-O 3.54Å; A136-F190 VanDerWaalsContact CA-O 3.24Å; A136-F190 WeakPolarHBondContact CA-O 3.45Å; A136-F190 WeakPolarHBondContact CB-O 2.94Å; L137-F190 HydrophobicContact CB-CB 4.39Å; L137-F190 PolarHBondContact N-O 2.69Å; L137-F190 PolarHBondContact O-N 3.35Å; V139-F190 HydrophobicContact CB-CE2 4.21Å; V139-F190 HydrophobicContact CG2-CD2 3.81Å; V139-F190 HydrophobicContact CG2-CE2 3.8Å; V162-F190 HydrophobicContact CB-CZ 4.21Å; V162-F190 HydrophobicContact CG1-CE2 3.89Å; V162-F190 HydrophobicContact CG1-CZ 3.73Å; L164-F190 HydrophobicContact CB-CB 4.46Å; L164-F190 HydrophobicContact CB-CD1 3.53Å; L164-F190 HydrophobicContact CB-CE1 3.81Å; L164-F190 HydrophobicContact CB-CG 4Å; L164-F190 HydrophobicContact CB-CZ 4.48Å; L164-F190 HydrophobicContact CD2-CB 3.71Å; L164-F190 HydrophobicContact CD2-CD1 4.32Å; L164-F190 HydrophobicContact CD2-CG 4.14Å; F171-F190 HydrophobicContact CD2-CD1 4.15Å; F171-F190 AromaticContact CD2-CE1 3.49Å; F171-F190 HydrophobicContact CD2-CE1 3.49Å; F171-F190 VanDerWaalsContact CD2-CE1 3.49Å; F171-F190 AromaticContact CD2-CE2 3.97Å; F171-F190 HydrophobicContact CD2-CE2 3.97Å; F171-F190 AromaticContact CD2-CZ 3.4Å; F171-F190 HydrophobicContact CD2-CZ 3.4Å; F171-F190 VanDerWaalsContact CD2-CZ 3.4Å; F171-F190 AromaticContact CE2-CD1 3.84Å; F171-F190 HydrophobicContact CE2-CD1 3.84Å; F171-F190 HydrophobicContact CE2-CD2 4.46Å; F171-F190 AromaticContact CE2-CE1 3.66Å; F171-F190 HydrophobicContact CE2-CE1 3.66Å; F171-F190 HydrophobicContact CE2-CE2 4.3Å; F171-F190 HydrophobicContact CE2-CG 4.25Å; F171-F190 AromaticContact CE2-CZ 3.92Å; F171-F190 HydrophobicContact CE2-CZ 3.92Å; F171-F190 HydrophobicContact CG-CZ 4.49Å; F188-F190 HydrophobicContact CB-CE2 4.22Å; F190-V192 PolarHBondContact O-N 2.94Å |
| 191 | P | 93.3 | Very high | 92.9 | Very high | 91 Ų | 91 | 60 Ų | 60 | 59% | 0.591 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 116 | 172.8 | -18.1 | 31.4 | 0 | 0 | 0 | 109.5 | ||
| 192 | V | 92.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | trans | -159 | 127.5 | -178.8 | 62.1 | 0 | 0 | 0 | 0 | 109.8 | Y130 E135 L137 L164 F190 E196 L197 R200 | Y130-V192 HydrophobicContact CE2-CG1 4.34Å; Y130-V192 WeakPolarHBondContact CE2-O 3.5Å; Y130-V192 PolarHBondContact OH-O 3.14Å; E135-V192 CarbonylContact C-O 3.47Å; E135-V192 CarbonylContact O-C 3.53Å; E135-V192 PolarHBondContact O-N 2.84Å; L137-V192 HydrophobicContact CB-CG1 3.89Å; L164-V192 HydrophobicContact CD2-CB 4.07Å; L164-V192 HydrophobicContact CD2-CG1 3.9Å; L164-V192 HydrophobicContact CD2-CG2 4.36Å; F190-V192 PolarHBondContact O-N 2.94Å; V192-E196 HydrophobicContact CG2-CB 4.01Å; V192-L197 HydrophobicContact CG1-CD2 3.56Å; V192-L197 HydrophobicContact CG1-CG 4.4Å; V192-L197 HydrophobicContact CG2-CD2 4.34Å; V192-R200 HydrophobicContact CG2-CG 4.13Å | ||
| 193 | P | 93.1 | Very high | 92.5 | Very high | 53 Ų | 53 | 57.3 Ų | 57.3 | 34% | 0.344 | 32% | 0.318 | S | S | . | . | trans | -60.3 | 145.2 | 173.7 | -22.8 | 33.7 | 0 | 0 | 0 | 111.6 | D195 E196 | P193-D195 VanDerWaalsContact C-N 3.25Å; P193-D195 PolarHBondContact O-N 3.24Å; P193-E196 HydrophobicContact CB-CG 4.36Å; P193-E196 HydrophobicContact CG-CG 4.44Å; P193-E196 PolarHBondContact O-N 2.74Å | ||
| 194 | Y | 90.4 | Very high | 92.4 | Very high | 88 Ų | 88 | 53.2 Ų | 53.2 | 35% | 0.345 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -57.6 | -40.4 | -176.4 | -174.8 | -97.2 | 0 | 0 | 0 | 112.2 | Y130 Y132 E196 L197 F227 | Y130-Y194 AromaticContact CD1-CD2 3.63Å; Y130-Y194 HydrophobicContact CD1-CD2 3.63Å; Y130-Y194 HydrophobicContact CD1-CE2 4.32Å; Y130-Y194 AromaticContact CE1-CD2 3.68Å; Y130-Y194 HydrophobicContact CE1-CD2 3.68Å; Y130-Y194 HydrophobicContact CE1-CG 4.23Å; Y130-Y194 HydrophobicContact CG-CD2 4.06Å; Y130-Y194 PolarHBondContact OH-N 2.67Å; Y132-Y194 HydrophobicContact CD1-CD2 4.44Å; Y132-Y194 AromaticContact CE1-CD2 3.62Å; Y132-Y194 HydrophobicContact CE1-CD2 3.62Å; Y132-Y194 AromaticContact CE1-CE2 3.65Å; Y132-Y194 HydrophobicContact CE1-CE2 3.65Å; Y132-Y194 HydrophobicContact CE1-CG 4.24Å; Y132-Y194 AromaticContact CZ-CE2 3.81Å; Y132-Y194 VanDerWaalsContact OH-CE2 3.28Å; Y132-Y194 WeakPolarHBondContact OH-CE2 3.23Å; Y194-E196 PolarHBondContact O-N 2.82Å; Y194-L197 HydrophobicContact CD2-CD1 3.83Å; Y194-L197 HydrophobicContact CE2-CD1 4.34Å; Y194-L197 HydrophobicContact CG-CD1 4.41Å; Y194-L197 WeakPolarHBondContact O-CB 3.43Å; Y194-L197 WeakPolarHBondContact O-CG 3.25Å; Y194-L197 PolarHBondContact O-N 2.99Å; Y194-F227 HydrophobicContact CE1-CE1 4.26Å; Y194-F227 HydrophobicContact CE1-CZ 4.31Å; Y194-F227 AromaticContact CE2-CE1 3.85Å; Y194-F227 HydrophobicContact CE2-CE1 3.85Å; Y194-F227 HydrophobicContact CE2-CZ 4.17Å; Y194-F227 AromaticContact CZ-CE1 3.59Å; Y194-F227 AromaticContact CZ-CZ 4Å; Y194-F227 WeakPolarHBondContact OH-CE1 3.03Å |
| 195 | D | 90.6 | Very high | 92.2 | Very high | 143 Ų | 143 | 52.9 Ų | 52.9 | 77% | 0.765 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -67.2 | -19.5 | -178.8 | -61.6 | -22.4 | 0 | 0 | 0 | 113.5 | P193 P198 | P193-D195 VanDerWaalsContact C-N 3.25Å; P193-D195 PolarHBondContact O-N 3.24Å; D195-P198 VanDerWaalsContact O-CD 3.3Å; D195-P198 WeakPolarHBondContact O-CD 3.31Å |
| 196 | E | 90.5 | Very high | 92.2 | Very high | 81 Ų | 81 | 48.6 Ų | 48.6 | 38% | 0.379 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -87.3 | -19.4 | 177.1 | -68.7 | -171.3 | -166.6 | 0 | 0 | 112.9 | V192 P193 Y194 P198 V199 R200 | V192-E196 HydrophobicContact CG2-CB 4.01Å; P193-E196 HydrophobicContact CB-CG 4.36Å; P193-E196 HydrophobicContact CG-CG 4.44Å; P193-E196 PolarHBondContact O-N 2.74Å; Y194-E196 PolarHBondContact O-N 2.82Å; E196-P198 VanDerWaalsContact C-N 3.3Å; E196-V199 WeakPolarHBondContact O-CG2 3.37Å; E196-V199 PolarHBondContact O-N 2.84Å; E196-V199 VanDerWaalsContact O-N 3.12Å; E196-R200 WeakPolarHBondContact O-CG 3.47Å; E196-R200 PolarHBondContact O-N 2.86Å; E196-R200 IonicContact OE2-CZ 2.74Å; E196-R200 IonicContact OE2-NE 3.58Å; E196-R200 IonicContact OE2-NH2 3.68Å; E196-R200 PolarHBondContact OE2-NH2 2.75Å |
| 197 | L | 88.5 | Confident | 91.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -52.5 | -36.6 | -178.8 | -69.7 | 172.1 | 0 | 0 | 0 | 114.8 | Y130 L137 V192 Y194 V199 R200 L226 F227 L232 | Y130-L197 HydrophobicContact CD2-CD1 3.61Å; Y130-L197 HydrophobicContact CE2-CD1 3.77Å; Y130-L197 HydrophobicContact CE2-CG 4.38Å; Y130-L197 HydrophobicContact CG-CD1 4.24Å; L137-L197 HydrophobicContact CB-CD2 4.31Å; L137-L197 HydrophobicContact CD2-CD2 4.35Å; V192-L197 HydrophobicContact CG1-CD2 3.56Å; V192-L197 HydrophobicContact CG1-CG 4.4Å; V192-L197 HydrophobicContact CG2-CD2 4.34Å; Y194-L197 HydrophobicContact CD2-CD1 3.83Å; Y194-L197 HydrophobicContact CE2-CD1 4.34Å; Y194-L197 HydrophobicContact CG-CD1 4.41Å; Y194-L197 WeakPolarHBondContact O-CB 3.43Å; Y194-L197 WeakPolarHBondContact O-CG 3.25Å; Y194-L197 PolarHBondContact O-N 2.99Å; L197-V199 PolarHBondContact O-N 3.35Å; L197-R200 PolarHBondContact O-N 3.11Å; L197-R200 VanDerWaalsContact O-N 3.15Å; L197-L226 HydrophobicContact CD2-CD1 4.04Å; L197-F227 HydrophobicContact CB-CE2 3.53Å; L197-F227 HydrophobicContact CB-CZ 3.68Å; L197-F227 HydrophobicContact CD1-CZ 3.91Å; L197-F227 HydrophobicContact CG-CZ 4.48Å; L197-L232 HydrophobicContact CD1-CD1 3.81Å |
| 198 | P | 88.4 | Confident | 91.7 | Very high | 74 Ų | 74 | 43.6 Ų | 43.6 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -63.8 | -23.9 | -179.3 | -21.7 | 32.6 | 0 | 0 | 0 | 114.2 | D195 E196 F227 | D195-P198 VanDerWaalsContact O-CD 3.3Å; D195-P198 WeakPolarHBondContact O-CD 3.31Å; E196-P198 VanDerWaalsContact C-N 3.3Å; P198-F227 HydrophobicContact CB-CE2 4.33Å; P198-F227 HydrophobicContact CG-CD2 4.28Å; P198-F227 HydrophobicContact CG-CE2 3.63Å; P198-F227 HydrophobicContact CG-CZ 4.44Å |
| 199 | V | 87.7 | Confident | 91.4 | Very high | 113 Ų | 113 | 45.5 Ų | 45.5 | 69% | 0.685 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -100.3 | -2.4 | 179.3 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | E196 L197 | E196-V199 WeakPolarHBondContact O-CG2 3.37Å; E196-V199 PolarHBondContact O-N 2.84Å; E196-V199 VanDerWaalsContact O-N 3.12Å; L197-V199 PolarHBondContact O-N 3.35Å |
| 200 | R | 87.5 | Confident | 90.5 | Very high | 38 Ų | 38 | 43.1 Ų | 43.1 | 14% | 0.143 | 23% | 0.227 | C | C | . | . | trans | -89.7 | 149.3 | 177 | -62.6 | -54.7 | -174.1 | 116.6 | 0.5 | 111.1 | L164 L165 V192 E196 L197 | L164-R200 HydrophobicContact CD1-CB 3.84Å; L164-R200 HydrophobicContact CD1-CG 4.49Å; L164-R200 HydrophobicContact CD2-CG 4.44Å; L164-R200 HydrophobicContact CG-CB 4.15Å; L164-R200 HydrophobicContact CG-CG 4.33Å; L165-R200 WeakPolarHBondContact O-CA 3.18Å; L165-R200 VanDerWaalsContact O-CD 3.31Å; L165-R200 WeakPolarHBondContact O-CD 3.3Å; V192-R200 HydrophobicContact CG2-CG 4.13Å; E196-R200 WeakPolarHBondContact O-CG 3.47Å; E196-R200 PolarHBondContact O-N 2.86Å; E196-R200 IonicContact OE2-CZ 2.74Å; E196-R200 IonicContact OE2-NE 3.58Å; E196-R200 IonicContact OE2-NH2 3.68Å; E196-R200 PolarHBondContact OE2-NH2 2.75Å; L197-R200 PolarHBondContact O-N 3.11Å; L197-R200 VanDerWaalsContact O-N 3.15Å | ||
| 201 | K | 90.3 | Very high | 89.7 | Confident | 78 Ų | 78 | 51.9 Ų | 51.9 | 34% | 0.339 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.4 | 173.2 | -50.1 | -173.5 | 171.9 | -172.3 | 0 | 110.3 | L164 L165 L223 E224 | L164-K201 CarbonylContact C-O 3.58Å; L165-K201 HydrophobicContact CB-CB 4.24Å; L165-K201 PolarHBondContact N-O 2.98Å; L165-K201 PolarHBondContact O-N 2.8Å; L165-K201 VanDerWaalsContact O-N 3.12Å; K201-L223 CarbonylContact C-O 3.52Å; K201-L223 VanDerWaalsContact CA-O 3.26Å; K201-L223 WeakPolarHBondContact CA-O 3.2Å; K201-E224 HydrophobicContact CD-CB 4.28Å; K201-E224 HydrophobicContact CD-CG 3.97Å; K201-E224 HydrophobicContact CG-CB 4.38Å; K201-E224 IonicContact NZ-OE1 3.66Å; K201-E224 PolarHBondContact NZ-OE1 3Å; K201-E224 IonicContact NZ-OE2 2.72Å |
| 202 | L | 92.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 118.4 | 172.7 | 178.4 | 63.3 | 0 | 0 | 0 | 108.7 | L128 V139 V162 Y163 L164 L223 L226 | L128-L202 HydrophobicContact CD1-CD2 4.29Å; L128-L202 HydrophobicContact CD2-CD2 3.5Å; V139-L202 HydrophobicContact CG1-CD1 4.44Å; V139-L202 HydrophobicContact CG1-CD2 4Å; V139-L202 HydrophobicContact CG2-CD1 4.12Å; V139-L202 HydrophobicContact CG2-CD2 4.06Å; V162-L202 HydrophobicContact CG1-CD1 3.52Å; Y163-L202 WeakPolarHBondContact O-CD1 3.25Å; L164-L202 HydrophobicContact CD1-CB 4.5Å; L202-L223 HydrophobicContact CB-CB 4.26Å; L202-L223 HydrophobicContact CB-CD1 4.28Å; L202-L223 HydrophobicContact CD2-CD1 3.89Å; L202-L223 HydrophobicContact CG-CD1 4.31Å; L202-L223 PolarHBondContact N-O 3.04Å; L202-L223 PolarHBondContact O-N 2.86Å; L202-L226 HydrophobicContact CB-CD2 3.71Å |
| 203 | H | 92.1 | Very high | 86.6 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 13% | 0.134 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 123.6 | -179.7 | 178.2 | -132.1 | 0 | 0 | 0 | 110 | V162 Y163 L165 S205 E220 V222 | V162-H203 WeakPolarHBondContact CA-O 3.05Å; Y163-H203 AromaticContact CD2-ND1 3.79Å; Y163-H203 PolarHBondContact N-O 3.5Å; Y163-H203 PolarHBondContact O-N 3.33Å; L165-H203 HydrophobicContact CD1-CB 3.97Å; L165-H203 HydrophobicContact CG-CB 4.23Å; H203-S205 PolarHBondContact CE1-OG 2.93Å; H203-S205 VanDerWaalsContact CE1-OG 3.24Å; H203-E220 IonicContact CD2-OE2 3.08Å; H203-E220 IonicContact CE1-OE2 2.69Å; H203-E220 IonicContact NE2-OE2 3.6Å; H203-E220 PolarHBondContact NE2-OE2 2.94Å; H203-V222 VanDerWaalsContact CD2-CG2 3.45Å; H203-V222 WeakPolarHBondContact CD2-CG2 3.31Å |
| 204 | M | 94.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.6 | 178.4 | -67.2 | 175.1 | -70.6 | 0 | 0 | 109 | F126 I141 V160 K161 V162 E220 V221 L223 | F126-M204 HydrophobicContact CD1-CE 3.7Å; F126-M204 HydrophobicContact CD1-SD 4.1Å; F126-M204 HydrophobicContact CD2-CE 4.14Å; F126-M204 HydrophobicContact CD2-SD 4.38Å; F126-M204 HydrophobicContact CE1-CE 3.54Å; F126-M204 HydrophobicContact CE2-CE 3.95Å; F126-M204 HydrophobicContact CG-CE 4.04Å; F126-M204 HydrophobicContact CG-SD 4.07Å; F126-M204 HydrophobicContact CZ-CE 3.69Å; I141-M204 HydrophobicContact CD1-SD 3.57Å; I141-M204 VanDerWaalsContact CD1-SD 3.57Å; V160-M204 HydrophobicContact CG1-CB 4.2Å; K161-M204 CarbonylContact O-C 3.53Å; K161-M204 WeakPolarHBondContact O-CA 3.22Å; V162-M204 HydrophobicContact CG1-CG 4.1Å; V162-M204 HydrophobicContact CG2-CG 4.29Å; M204-E220 CarbonylContact O-C 3.42Å; M204-E220 VanDerWaalsContact O-CA 3.25Å; M204-E220 WeakPolarHBondContact O-CA 3.25Å; M204-V221 HydrophobicContact CB-CB 4.46Å; M204-V221 HydrophobicContact CE-CB 4.05Å; M204-V221 HydrophobicContact CE-CG1 3.81Å; M204-V221 PolarHBondContact N-O 2.61Å; M204-V221 PolarHBondContact O-N 2.7Å; M204-L223 HydrophobicContact CE-CD1 4.02Å |
| 205 | S | 92.8 | Very high | 84.6 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 4% | 0.035 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.1 | 177 | -51.2 | 0 | 0 | 0 | 0 | 109.6 | V160 K161 H203 | V160-S205 WeakPolarHBondContact CA-O 3.26Å; K161-S205 PolarHBondContact N-O 2.85Å; K161-S205 PolarHBondContact O-N 3.2Å; H203-S205 PolarHBondContact CE1-OG 2.93Å; H203-S205 VanDerWaalsContact CE1-OG 3.24Å |
| 206 | V | 94.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 127.4 | 178.8 | -170.2 | 0 | 0 | 0 | 0 | 108.6 | I124 L147 V160 I218 G219 I242 | I124-V206 HydrophobicContact CD1-CG2 4.26Å; L147-V206 HydrophobicContact CD1-CG1 4.29Å; L147-V206 HydrophobicContact CD2-CG1 4.33Å; V160-V206 HydrophobicContact CG2-CG2 4.27Å; V206-I218 HydrophobicContact CB-CB 4.26Å; V206-I218 HydrophobicContact CG1-CB 4.17Å; V206-I218 HydrophobicContact CG1-CD1 4.14Å; V206-I218 HydrophobicContact CG1-CG2 4.38Å; V206-I218 WeakPolarHBondContact O-CB 3.34Å; V206-I218 PolarHBondContact O-N 3.04Å; V206-G219 PolarHBondContact N-O 2.98Å; V206-G219 PolarHBondContact O-N 3.06Å; V206-I242 HydrophobicContact CG2-CD1 3.99Å; V206-I242 HydrophobicContact CG2-CG1 4.37Å |
| 207 | F | 92.1 | Very high | 83.8 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 6% | 0.057 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 153.9 | -178.7 | -74.3 | -89.4 | 0 | 0 | 0 | 110.8 | P158 Y159 K161 H215 D216 M217 | P158-F207 CarbonylContact C-O 3.56Å; P158-F207 VanDerWaalsContact CA-O 3.22Å; P158-F207 WeakPolarHBondContact CA-O 3.41Å; Y159-F207 HydrophobicContact CD1-CB 3.89Å; Y159-F207 HydrophobicContact CE1-CB 3.25Å; Y159-F207 HydrophobicContact CE1-CG 4.22Å; Y159-F207 HydrophobicContact CE2-CB 4.17Å; Y159-F207 HydrophobicContact CE2-CD2 4.38Å; Y159-F207 AromaticContact CZ-CG 3.88Å; Y159-F207 PolarHBondContact N-O 3.4Å; Y159-F207 PolarHBondContact O-N 3.29Å; Y159-F207 WeakPolarHBondContact OH-CB 3.45Å; Y159-F207 WeakPolarHBondContact OH-CG 3.45Å; K161-F207 HydrophobicContact CD-CD2 4.13Å; K161-F207 HydrophobicContact CD-CE2 3.74Å; K161-F207 HydrophobicContact CG-CD2 4.25Å; K161-F207 HydrophobicContact CG-CE2 4.23Å; F207-H215 HydrophobicContact CD1-CB 4.29Å; F207-D216 CarbonylContact C-O 3.55Å; F207-D216 WeakPolarHBondContact CA-O 3.19Å; F207-M217 HydrophobicContact CD1-CB 4.04Å; F207-M217 HydrophobicContact CE1-CB 3.84Å; F207-M217 HydrophobicContact CE1-CE 3.61Å; F207-M217 HydrophobicContact CE1-CG 4.26Å; F207-M217 HydrophobicContact CE2-CE 3.95Å; F207-M217 HydrophobicContact CZ-CE 3.19Å |
| 208 | D | 91.2 | Very high | 83.9 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.7 | 164.7 | -178.5 | 36.5 | 0 | 0 | 0 | 110 | K150 S156 D157 H215 D216 I218 | K150-D208 HydrophobicContact CB-CB 3.92Å; K150-D208 WeakPolarHBondContact CB-OD2 3.36Å; K150-D208 HydrophobicContact CG-CB 4.08Å; S156-D208 WeakPolarHBondContact CA-OD1 3.47Å; S156-D208 WeakPolarHBondContact CB-OD1 3.24Å; D157-D208 WeakPolarHBondContact CA-OD1 3.31Å; D157-D208 PolarHBondContact N-OD1 2.86Å; D208-H215 CarbonylContact O-C 3.59Å; D208-H215 WeakPolarHBondContact O-CA 3.49Å; D208-H215 WeakPolarHBondContact O-CB 3.44Å; D208-D216 HydrophobicContact CB-CB 4.11Å; D208-D216 PolarHBondContact N-O 2.88Å; D208-D216 PolarHBondContact O-N 2.91Å; D208-D216 VanDerWaalsContact O-N 3.16Å; D208-I218 HydrophobicContact CB-CD1 4.19Å; D208-I218 HydrophobicContact CB-CG1 4.32Å |
| 209 | F | 87.9 | Confident | 84 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 26% | 0.259 | 25% | 0.246 | S | C | . | . | trans | -83.7 | 130.5 | -179.4 | 175 | -87.9 | 0 | 0 | 0 | 111.2 | D157 Y159 V175 R211 H215 | D157-F209 HydrophobicContact CB-CB 3.93Å; D157-F209 WeakPolarHBondContact CB-O 3.44Å; D157-F209 VanDerWaalsContact O-CB 3.29Å; D157-F209 WeakPolarHBondContact O-CB 3.4Å; D157-F209 PolarHBondContact O-N 2.91Å; Y159-F209 HydrophobicContact CD1-CB 3.98Å; Y159-F209 HydrophobicContact CE1-CB 4.16Å; V175-F209 HydrophobicContact CB-CB 4.4Å; V175-F209 HydrophobicContact CG1-CB 3.48Å; V175-F209 VanDerWaalsContact CG1-CB 3.48Å; V175-F209 HydrophobicContact CG1-CD1 4.15Å; V175-F209 HydrophobicContact CG1-CG 3.81Å; V175-F209 HydrophobicContact CG2-CB 3.96Å; V175-F209 HydrophobicContact CG2-CD2 3.88Å; V175-F209 HydrophobicContact CG2-CG 3.97Å; F209-R211 HydrophobicContact CE1-CB 4.39Å; F209-H215 AromaticContact CD2-CE1 3.25Å; F209-H215 WeakPolarHBondContact CD2-CE1 3.22Å; F209-H215 AromaticContact CD2-ND1 3.98Å; F209-H215 AromaticContact CD2-NE2 3.39Å; F209-H215 WeakPolarHBondContact CD2-NE2 3.38Å; F209-H215 AromaticContact CE2-CE1 3.54Å; F209-H215 AromaticContact CE2-NE2 3.45Å; F209-H215 WeakPolarHBondContact CE2-NE2 3.43Å | ||
| 210 | D | 77.6 | Confident | 84.3 | Confident | 35 Ų | 35 | 50 Ų | 50 | 19% | 0.187 | 23% | 0.226 | C | C | . | . | trans | -124.8 | 130.9 | -179.4 | -108.9 | -32.5 | 0 | 0 | 0 | 110.6 | S213 H215 | D210-S213 VanDerWaalsContact CB-OG 3.31Å; D210-S213 WeakPolarHBondContact CB-OG 3.47Å; D210-S213 PolarHBondContact OD1-OG 3.38Å; D210-S213 PolarHBondContact OD2-OG 3.4Å; D210-H215 PolarHBondContact N-CD2 3.22Å; D210-H215 VanDerWaalsContact N-CD2 3.33Å; D210-H215 PolarHBondContact O-CD2 3.46Å; D210-H215 PolarHBondContact O-NE2 3.43Å | ||
| 211 | R | 76.1 | Confident | 84.5 | Confident | 186 Ų | 186 | 48.5 Ų | 48.5 | 70% | 0.702 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -76.3 | -33.9 | -175.7 | -171.3 | 175.1 | -166.6 | -172.8 | 6.5 | 113.4 | F209 | F209-R211 HydrophobicContact CE1-CB 4.39Š|
| 212 | F | 61.4 | Low | 84.5 | Confident | 188 Ų | 188 | 47.9 Ų | 47.9 | 83% | 0.825 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -124.6 | 4.5 | -169.5 | -56.2 | -64.6 | 0 | 0 | 0 | 112.9 | ||
| 213 | S | 59 | Low | 84.4 | Confident | 68 Ų | 68 | 48.1 Ų | 48.1 | 48% | 0.476 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -137.6 | 175.7 | 179.8 | 34.6 | 0 | 0 | 0 | 0 | 109.5 | D210 | D210-S213 VanDerWaalsContact CB-OG 3.31Å; D210-S213 WeakPolarHBondContact CB-OG 3.47Å; D210-S213 PolarHBondContact OD1-OG 3.38Å; D210-S213 PolarHBondContact OD2-OG 3.4Å |
| 214 | R | 61.5 | Low | 84 | Confident | 115 Ų | 115 | 52.2 Ų | 52.2 | 43% | 0.434 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -72.1 | 144.1 | 173.8 | -65.1 | -178.8 | -175.4 | -168.9 | -5.8 | 109.3 | D216 M281 E350 | R214-D216 PolarHBondContact O-N 2.88Å; R214-M281 PolarHBondContact NH2-SD 3.35Å; R214-E350 IonicContact CZ-OE2 3.46Å; R214-E350 IonicContact NH2-OE1 3.82Å; R214-E350 IonicContact NH2-OE2 2.64Å; R214-E350 PolarHBondContact NH2-OE2 3.37Å |
| 215 | H | 80.1 | Confident | 83.4 | Confident | 68 Ų | 68 | 55.3 Ų | 55.3 | 32% | 0.315 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 124.9 | 178.2 | -61 | -178.6 | 0 | 0 | 0 | 109.8 | Y159 F207 D208 F209 D210 | Y159-H215 HydrophobicContact CE1-CB 4.29Å; Y159-H215 AromaticContact CE1-ND1 3.43Å; Y159-H215 WeakPolarHBondContact CE1-ND1 3.39Å; Y159-H215 AromaticContact CZ-ND1 3.42Å; Y159-H215 PolarHBondContact OH-ND1 2.97Å; F207-H215 HydrophobicContact CD1-CB 4.29Å; D208-H215 CarbonylContact O-C 3.59Å; D208-H215 WeakPolarHBondContact O-CA 3.49Å; D208-H215 WeakPolarHBondContact O-CB 3.44Å; F209-H215 AromaticContact CD2-CE1 3.25Å; F209-H215 WeakPolarHBondContact CD2-CE1 3.22Å; F209-H215 AromaticContact CD2-ND1 3.98Å; F209-H215 AromaticContact CD2-NE2 3.39Å; F209-H215 WeakPolarHBondContact CD2-NE2 3.38Å; F209-H215 AromaticContact CE2-CE1 3.54Å; F209-H215 AromaticContact CE2-NE2 3.45Å; F209-H215 WeakPolarHBondContact CE2-NE2 3.43Å; D210-H215 PolarHBondContact N-CD2 3.22Å; D210-H215 VanDerWaalsContact N-CD2 3.33Å; D210-H215 PolarHBondContact O-CD2 3.46Å; D210-H215 PolarHBondContact O-NE2 3.43Å |
| 216 | D | 80.1 | Confident | 82.8 | Confident | 73 Ų | 73 | 55.1 Ų | 55.1 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 124.6 | -178.5 | -88.2 | -20.5 | 0 | 0 | 0 | 110.6 | K150 F207 D208 R214 I218 | K150-D216 HydrophobicContact CB-CB 4.37Å; K150-D216 HydrophobicContact CD-CB 4.3Å; K150-D216 HydrophobicContact CG-CB 4.28Å; F207-D216 CarbonylContact C-O 3.55Å; F207-D216 WeakPolarHBondContact CA-O 3.19Å; D208-D216 HydrophobicContact CB-CB 4.11Å; D208-D216 PolarHBondContact N-O 2.88Å; D208-D216 PolarHBondContact O-N 2.91Å; D208-D216 VanDerWaalsContact O-N 3.16Å; R214-D216 PolarHBondContact O-N 2.88Å; D216-I218 PolarHBondContact O-N 3.35Å |
| 217 | M | 85.3 | Confident | 82 | Confident | 37 Ų | 37 | 58.2 Ų | 58.2 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 125.1 | 171.3 | -174.1 | 172.7 | -75 | 0 | 0 | 109.5 | F207 A245 E248 | F207-M217 HydrophobicContact CD1-CB 4.04Å; F207-M217 HydrophobicContact CE1-CB 3.84Å; F207-M217 HydrophobicContact CE1-CE 3.61Å; F207-M217 HydrophobicContact CE1-CG 4.26Å; F207-M217 HydrophobicContact CE2-CE 3.95Å; F207-M217 HydrophobicContact CZ-CE 3.19Å; M217-A245 HydrophobicContact CG-CB 4.39Å; M217-A245 HydrophobicContact SD-CB 3.51Å; M217-A245 VanDerWaalsContact SD-CB 3.51Å; M217-E248 HydrophobicContact CE-CG 3.62Å; M217-E248 WeakPolarHBondContact CE-OE1 3.46Å; M217-E248 HydrophobicContact SD-CG 3.79Å |
| 218 | I | 90.3 | Very high | 81.1 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -48.1 | 173.8 | -70.6 | 172.2 | 0 | 0 | 0 | 109.2 | C121 L147 P148 K150 P158 V206 D208 D216 | C121-I218 HydrophobicContact CB-CG2 4.39Å; L147-I218 HydrophobicContact CD1-CD1 4.31Å; L147-I218 HydrophobicContact CD2-CG2 4.2Å; P148-I218 HydrophobicContact CG-CG1 4.45Å; P148-I218 HydrophobicContact CG-CG2 3.66Å; K150-I218 HydrophobicContact CG-CG1 4.12Å; P158-I218 HydrophobicContact CB-CD1 4.48Å; V206-I218 HydrophobicContact CB-CB 4.26Å; V206-I218 HydrophobicContact CG1-CB 4.17Å; V206-I218 HydrophobicContact CG1-CD1 4.14Å; V206-I218 HydrophobicContact CG1-CG2 4.38Å; V206-I218 WeakPolarHBondContact O-CB 3.34Å; V206-I218 PolarHBondContact O-N 3.04Å; D208-I218 HydrophobicContact CB-CD1 4.19Å; D208-I218 HydrophobicContact CB-CG1 4.32Å; D216-I218 PolarHBondContact O-N 3.35Å |
| 219 | G | 91.1 | Very high | 79.8 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.5 | -169.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V206 Q243 | V206-G219 PolarHBondContact N-O 2.98Å; V206-G219 PolarHBondContact O-N 3.06Å; G219-Q243 CarbonylContact C-O 3.57Å; G219-Q243 WeakPolarHBondContact CA-O 3.48Å |
| 220 | E | 92.2 | Very high | 79 | Confident | 56 Ų | 56 | 65.5 Ų | 65.5 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 160.3 | -175.2 | 68.7 | -175.4 | 173.7 | 0 | 0 | 113.7 | H203 M204 Q243 A245 | H203-E220 IonicContact CD2-OE2 3.08Å; H203-E220 IonicContact CE1-OE2 2.69Å; H203-E220 IonicContact NE2-OE2 3.6Å; H203-E220 PolarHBondContact NE2-OE2 2.94Å; M204-E220 CarbonylContact O-C 3.42Å; M204-E220 VanDerWaalsContact O-CA 3.25Å; M204-E220 WeakPolarHBondContact O-CA 3.25Å; E220-Q243 PolarHBondContact N-O 2.79Å; E220-Q243 PolarHBondContact O-N 3.37Å; E220-A245 HydrophobicContact CG-CB 4.22Å |
| 221 | V | 92.3 | Very high | 78.9 | Confident | 7 Ų | 7 | 68.5 Ų | 68.5 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 122 | 172.5 | 177.9 | 0 | 0 | 0 | 0 | 107.8 | I124 M204 R240 I242 | I124-V221 HydrophobicContact CG2-CB 4.46Å; I124-V221 HydrophobicContact CG2-CG2 3.69Å; M204-V221 HydrophobicContact CB-CB 4.46Å; M204-V221 HydrophobicContact CE-CB 4.05Å; M204-V221 HydrophobicContact CE-CG1 3.81Å; M204-V221 PolarHBondContact N-O 2.61Å; M204-V221 PolarHBondContact O-N 2.7Å; V221-R240 HydrophobicContact CG1-CB 3.66Å; V221-R240 HydrophobicContact CG1-CG 3.92Å; V221-R240 HydrophobicContact CG2-CB 4.22Å; V221-I242 HydrophobicContact CG2-CG1 4.18Å |
| 222 | V | 90.9 | Very high | 79.2 | Confident | 65 Ų | 65 | 59.8 Ų | 59.8 | 39% | 0.394 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.4 | 176.1 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | H203 E224 | H203-V222 VanDerWaalsContact CD2-CG2 3.45Å; H203-V222 WeakPolarHBondContact CD2-CG2 3.31Å; V222-E224 HydrophobicContact CG1-CG 4.11Å |
| 223 | L | 89.4 | Confident | 80 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 109.8 | 172.5 | -62.7 | 156.2 | 0 | 0 | 0 | 108.1 | F126 L128 K201 L202 M204 L226 M229 R240 | F126-L223 HydrophobicContact CE2-CD1 3.5Å; F126-L223 HydrophobicContact CZ-CD1 3.51Å; F126-L223 HydrophobicContact CZ-CD2 4.44Å; F126-L223 HydrophobicContact CZ-CG 4.47Å; L128-L223 HydrophobicContact CD1-CD1 4.46Å; K201-L223 CarbonylContact C-O 3.52Å; K201-L223 VanDerWaalsContact CA-O 3.26Å; K201-L223 WeakPolarHBondContact CA-O 3.2Å; L202-L223 HydrophobicContact CB-CB 4.26Å; L202-L223 HydrophobicContact CB-CD1 4.28Å; L202-L223 HydrophobicContact CD2-CD1 3.89Å; L202-L223 HydrophobicContact CG-CD1 4.31Å; L202-L223 PolarHBondContact N-O 3.04Å; L202-L223 PolarHBondContact O-N 2.86Å; M204-L223 HydrophobicContact CE-CD1 4.02Å; L223-L226 HydrophobicContact CB-CD2 4.08Å; L223-M229 HydrophobicContact CD2-CB 4.48Å; L223-M229 HydrophobicContact CD2-CE 3.77Å; L223-M229 HydrophobicContact CD2-CG 4.14Å; L223-R240 HydrophobicContact CD2-CG 4.46Å |
| 224 | E | 83.4 | Confident | 81.2 | Confident | 116 Ų | 116 | 59.1 Ų | 59.1 | 54% | 0.542 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -86.1 | -34.6 | -177.7 | -52.1 | -157.6 | 141.8 | 0 | 0 | 113 | K201 V222 | K201-E224 HydrophobicContact CD-CB 4.28Å; K201-E224 HydrophobicContact CD-CG 3.97Å; K201-E224 HydrophobicContact CG-CB 4.38Å; K201-E224 IonicContact NZ-OE1 3.66Å; K201-E224 PolarHBondContact NZ-OE1 3Å; K201-E224 IonicContact NZ-OE2 2.72Å; V222-E224 HydrophobicContact CG1-CG 4.11Å |
| 225 | N | 81.3 | Confident | 82.2 | Confident | 65 Ų | 65 | 59.2 Ų | 59.2 | 35% | 0.348 | 29% | 0.289 | S | S | . | . | trans | -119 | 95.6 | -179.4 | -171 | -1.2 | 0 | 0 | 0 | 110.1 | F227 E228 M229 | N225-F227 PolarHBondContact O-N 3.47Å; N225-F227 PolarHBondContact OD1-N 3.33Å; N225-E228 HydrophobicContact CB-CB 4.1Å; N225-E228 WeakPolarHBondContact ND2-CB 3.19Å; N225-E228 PolarHBondContact ND2-OE2 3.03Å; N225-E228 PolarHBondContact O-N 3.19Å; N225-M229 WeakPolarHBondContact O-CG 3.08Å | ||
| 226 | L | 81.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65 | -28.3 | -175.7 | -61.6 | 176.1 | 0 | 0 | 0 | 112.8 | L128 L137 L164 L197 L202 L223 S230 L232 | L128-L226 HydrophobicContact CD1-CD2 4.21Å; L137-L226 HydrophobicContact CD2-CD1 3.84Å; L164-L226 HydrophobicContact CD1-CD1 4.33Å; L197-L226 HydrophobicContact CD2-CD1 4.04Å; L202-L226 HydrophobicContact CB-CD2 3.71Å; L223-L226 HydrophobicContact CB-CD2 4.08Å; L226-S230 PolarHBondContact O-N 3.42Å; L226-L232 HydrophobicContact CB-CD1 4.47Å |
| 227 | F | 77.6 | Confident | 82.7 | Confident | 66 Ų | 66 | 58.8 Ų | 58.8 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -78.6 | -31.8 | -178.1 | -67 | -80.8 | 0 | 0 | 0 | 113.8 | Y194 L197 P198 N225 M229 L232 | Y194-F227 HydrophobicContact CE1-CE1 4.26Å; Y194-F227 HydrophobicContact CE1-CZ 4.31Å; Y194-F227 AromaticContact CE2-CE1 3.85Å; Y194-F227 HydrophobicContact CE2-CE1 3.85Å; Y194-F227 HydrophobicContact CE2-CZ 4.17Å; Y194-F227 AromaticContact CZ-CE1 3.59Å; Y194-F227 AromaticContact CZ-CZ 4Å; Y194-F227 WeakPolarHBondContact OH-CE1 3.03Å; L197-F227 HydrophobicContact CB-CE2 3.53Å; L197-F227 HydrophobicContact CB-CZ 3.68Å; L197-F227 HydrophobicContact CD1-CZ 3.91Å; L197-F227 HydrophobicContact CG-CZ 4.48Å; P198-F227 HydrophobicContact CB-CE2 4.33Å; P198-F227 HydrophobicContact CG-CD2 4.28Å; P198-F227 HydrophobicContact CG-CE2 3.63Å; P198-F227 HydrophobicContact CG-CZ 4.44Å; N225-F227 PolarHBondContact O-N 3.47Å; N225-F227 PolarHBondContact OD1-N 3.33Å; F227-M229 PolarHBondContact O-N 2.86Å; F227-L232 HydrophobicContact CD1-CD1 3.93Å; F227-L232 HydrophobicContact CE1-CD1 3.67Å; F227-L232 HydrophobicContact CZ-CD1 4.04Å |
| 228 | E | 72.3 | Confident | 83.1 | Confident | 151 Ų | 151 | 57.6 Ų | 57.6 | 71% | 0.706 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -69.9 | -27.2 | 177.7 | -178 | 173.6 | -175.4 | 0 | 0 | 111.7 | N225 | N225-E228 HydrophobicContact CB-CB 4.1Å; N225-E228 WeakPolarHBondContact ND2-CB 3.19Å; N225-E228 PolarHBondContact ND2-OE2 3.03Å; N225-E228 PolarHBondContact O-N 3.19Å |
| 229 | M | 65.3 | Low | 83.2 | Confident | 67 Ų | 67 | 61.8 Ų | 61.8 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -99.2 | -15.4 | -171.2 | -61.1 | -66.7 | -120.7 | 0 | 0 | 113.2 | L223 N225 F227 R240 | L223-M229 HydrophobicContact CD2-CB 4.48Å; L223-M229 HydrophobicContact CD2-CE 3.77Å; L223-M229 HydrophobicContact CD2-CG 4.14Å; N225-M229 WeakPolarHBondContact O-CG 3.08Å; F227-M229 PolarHBondContact O-N 2.86Å; M229-R240 VanDerWaalsContact CE-NE 3.34Å; M229-R240 PolarHBondContact SD-NH2 3.38Å |
| 230 | S | 69.9 | Low | 83.3 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | trans | -154.6 | 134.9 | -175.1 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | L226 L232 T236 I238 | L226-S230 PolarHBondContact O-N 3.42Å; S230-L232 VanDerWaalsContact C-N 3.29Å; S230-L232 PolarHBondContact O-N 3.36Å; S230-T236 VanDerWaalsContact CB-OG1 3.24Å; S230-T236 WeakPolarHBondContact CB-OG1 3.16Å; S230-T236 PolarHBondContact OG-OG1 2.95Å; S230-T236 VanDerWaalsContact OG-OG1 3.13Å; S230-I238 WeakPolarHBondContact OG-CD1 3.42Å | ||
| 231 | D | 76.2 | Confident | 83.4 | Confident | 98 Ų | 98 | 68.4 Ų | 68.4 | 52% | 0.524 | 33% | 0.331 | S | S | . | . | trans | -74.4 | 89.5 | 159.7 | 179.9 | 3.7 | 0 | 0 | 0 | 108 | S233 R234 T236 | D231-S233 PolarHBondContact O-N 3.36Å; D231-S233 VanDerWaalsContact OD1-CB 3.3Å; D231-S233 WeakPolarHBondContact OD1-CB 3.08Å; D231-S233 PolarHBondContact OD1-N 3.21Å; D231-S233 PolarHBondContact OD1-OG 2.89Å; D231-S233 PolarHBondContact OD2-OG 3.35Å; D231-R234 PolarHBondContact O-N 2.81Å; D231-T236 HydrophobicContact CB-CG2 4.35Å | ||
| 232 | L | 81.8 | Confident | 83.5 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -11.6 | -175.9 | -63.5 | 179.6 | 0 | 0 | 0 | 113.8 | L128 Y130 L137 L197 L226 F227 S230 R234 | L128-L232 HydrophobicContact CB-CD2 4.02Å; Y130-L232 PolarHBondContact N-O 3.14Å; L137-L232 HydrophobicContact CD1-CD2 4.1Å; L197-L232 HydrophobicContact CD1-CD1 3.81Å; L226-L232 HydrophobicContact CB-CD1 4.47Å; F227-L232 HydrophobicContact CD1-CD1 3.93Å; F227-L232 HydrophobicContact CE1-CD1 3.67Å; F227-L232 HydrophobicContact CZ-CD1 4.04Å; S230-L232 VanDerWaalsContact C-N 3.29Å; S230-L232 PolarHBondContact O-N 3.36Å; L232-R234 VanDerWaalsContact C-N 3.26Å; L232-R234 PolarHBondContact O-N 2.86Å |
| 233 | S | 79.1 | Confident | 83.4 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 42% | 0.42 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -24.1 | 173.2 | 75 | 0 | 0 | 0 | 0 | 113.1 | D231 | D231-S233 PolarHBondContact O-N 3.36Å; D231-S233 VanDerWaalsContact OD1-CB 3.3Å; D231-S233 WeakPolarHBondContact OD1-CB 3.08Å; D231-S233 PolarHBondContact OD1-N 3.21Å; D231-S233 PolarHBondContact OD1-OG 2.89Å; D231-S233 PolarHBondContact OD2-OG 3.35Å |
| 234 | R | 83 | Confident | 82.9 | Confident | 182 Ų | 182 | 75.7 Ų | 75.7 | 69% | 0.687 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -128.8 | 155.5 | -179.8 | -61.5 | -179.5 | 73 | 178 | 2.2 | 109.8 | D231 L232 T236 | D231-R234 PolarHBondContact O-N 2.81Å; L232-R234 VanDerWaalsContact C-N 3.26Å; L232-R234 PolarHBondContact O-N 2.86Å; R234-T236 PolarHBondContact O-N 2.89Å; R234-T236 VanDerWaalsContact O-N 3.09Å |
| 235 | E | 83.9 | Confident | 81.9 | Confident | 117 Ų | 117 | 71 Ų | 71 | 55% | 0.547 | 34% | 0.338 | S | S | . | . | trans | -70.4 | 109.8 | 172.7 | -172.1 | 175.3 | -174.1 | 0 | 0 | 109.3 | S127 K129 N140 | S127-E235 PolarHBondContact OG-OE1 2.92Å; K129-E235 HydrophobicContact CB-CB 4.49Å; N140-E235 PolarHBondContact ND2-OE1 2.78Å | ||
| 236 | T | 81.9 | Confident | 80.6 | Confident | 36 Ų | 36 | 73.1 Ų | 73.1 | 22% | 0.221 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.1 | 178.3 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | S127 L128 S230 D231 R234 | S127-T236 WeakPolarHBondContact CA-O 3.37Å; S127-T236 WeakPolarHBondContact CB-O 3.45Å; L128-T236 PolarHBondContact N-O 3.27Å; L128-T236 PolarHBondContact O-N 3.09Å; S230-T236 VanDerWaalsContact CB-OG1 3.24Å; S230-T236 WeakPolarHBondContact CB-OG1 3.16Å; S230-T236 PolarHBondContact OG-OG1 2.95Å; S230-T236 VanDerWaalsContact OG-OG1 3.13Å; D231-T236 HydrophobicContact CB-CG2 4.35Å; R234-T236 PolarHBondContact O-N 2.89Å; R234-T236 VanDerWaalsContact O-N 3.09Å |
| 237 | N | 89.3 | Confident | 79 | Confident | 95 Ų | 95 | 75.6 Ų | 75.6 | 51% | 0.508 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 125.8 | 176.7 | -168.7 | -68.7 | 0 | 0 | 0 | 110.4 | N125 L142 | N125-N237 VanDerWaalsContact CG-OD1 3.24Å; N125-N237 PolarHBondContact ND2-ND2 2.95Å; N125-N237 PolarHBondContact ND2-OD1 2.87Å; N125-N237 VanDerWaalsContact OD1-CG 3.3Å; N125-N237 PolarHBondContact OD1-ND2 2.76Å; N125-N237 PolarHBondContact OD1-OD1 2.89Å; L142-N237 WeakPolarHBondContact CD1-ND2 3.33Å |
| 238 | I | 91.8 | Very high | 77.6 | Confident | 12 Ų | 12 | 75.8 Ų | 75.8 | 6% | 0.062 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.5 | -172.6 | -47.8 | 168.8 | 0 | 0 | 0 | 109.6 | N125 F126 L128 S230 R240 | N125-I238 WeakPolarHBondContact CA-O 3.45Å; N125-I238 PolarHBondContact OD1-O 2.9Å; F126-I238 HydrophobicContact CD2-CD1 4.37Å; F126-I238 HydrophobicContact CE1-CB 4.32Å; F126-I238 HydrophobicContact CE1-CG2 4.34Å; F126-I238 HydrophobicContact CE2-CB 4.09Å; F126-I238 HydrophobicContact CE2-CD1 3.67Å; F126-I238 HydrophobicContact CE2-CG1 4.45Å; F126-I238 HydrophobicContact CE2-CG2 4.42Å; F126-I238 HydrophobicContact CZ-CB 3.89Å; F126-I238 HydrophobicContact CZ-CD1 4.12Å; F126-I238 HydrophobicContact CZ-CG2 3.84Å; F126-I238 PolarHBondContact N-O 3.36Å; F126-I238 VanDerWaalsContact N-O 3.13Å; F126-I238 PolarHBondContact O-N 2.83Å; L128-I238 HydrophobicContact CD1-CD1 3.93Å; L128-I238 HydrophobicContact CG-CD1 4.07Å; S230-I238 WeakPolarHBondContact OG-CD1 3.42Å; I238-R240 HydrophobicContact CG2-CG 4.19Å |
| 239 | W | 93.6 | Very high | 76.6 | Confident | 89 Ų | 89 | 74.6 Ų | 74.6 | 34% | 0.337 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 134.9 | 167.7 | -74.4 | 94.6 | 0 | 0 | 0 | 110.7 | R123 I124 N125 R143 V145 | R123-W239 HydrophobicContact CB-CE3 4.09Å; R123-W239 HydrophobicContact CB-CZ3 4.36Å; I124-W239 WeakPolarHBondContact O-CA 3.39Å; N125-W239 HydrophobicContact CB-CD2 3.79Å; N125-W239 HydrophobicContact CB-CE3 3.7Å; N125-W239 HydrophobicContact CB-CH2 3.68Å; N125-W239 HydrophobicContact CB-CZ2 3.75Å; N125-W239 HydrophobicContact CB-CZ3 3.64Å; N125-W239 WeakPolarHBondContact ND2-CZ2 3.41Å; N125-W239 PolarHBondContact ND2-NE1 2.96Å; N125-W239 VanDerWaalsContact ND2-NE1 3.14Å; R143-W239 HydrophobicContact CG-CH2 4.09Å; V145-W239 HydrophobicContact CG1-CH2 3.91Å; V145-W239 HydrophobicContact CG1-CZ3 4.16Å; V145-W239 HydrophobicContact CG2-CH2 4.24Å; V145-W239 HydrophobicContact CG2-CZ3 3.76Å |
| 240 | R | 93.6 | Very high | 76.5 | Confident | 87 Ų | 87 | 72.9 Ų | 72.9 | 33% | 0.328 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 139.5 | 171.1 | -68 | -68.5 | 160.6 | -143.4 | -0.3 | 111.5 | R123 I124 F126 V221 L223 M229 I238 | R123-R240 CarbonylContact C-O 3.41Å; R123-R240 VanDerWaalsContact CA-O 3.27Å; R123-R240 WeakPolarHBondContact CA-O 3.25Å; R123-R240 WeakPolarHBondContact CB-O 3.11Å; I124-R240 HydrophobicContact CG2-CB 4.41Å; I124-R240 PolarHBondContact N-O 3.46Å; I124-R240 PolarHBondContact O-N 2.93Å; F126-R240 HydrophobicContact CE1-CB 4.14Å; F126-R240 HydrophobicContact CE1-CG 3.79Å; F126-R240 HydrophobicContact CZ-CG 3.93Å; V221-R240 HydrophobicContact CG1-CB 3.66Å; V221-R240 HydrophobicContact CG1-CG 3.92Å; V221-R240 HydrophobicContact CG2-CB 4.22Å; L223-R240 HydrophobicContact CD2-CG 4.46Å; M229-R240 VanDerWaalsContact CE-NE 3.34Å; M229-R240 PolarHBondContact SD-NH2 3.38Å; I238-R240 HydrophobicContact CG2-CG 4.19Å |
| 241 | D | 93.6 | Very high | 76.7 | Confident | 109 Ų | 109 | 77.1 Ų | 77.1 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 133.8 | 169.5 | -57.1 | -37.4 | 0 | 0 | 0 | 109 | R123 Q243 | R123-D241 WeakPolarHBondContact CD-OD1 3.12Å; R123-D241 WeakPolarHBondContact CG-OD1 3.29Å; D241-Q243 PolarHBondContact O-N 2.98Å |
| 242 | I | 93.8 | Very high | 77.3 | Confident | 7 Ų | 7 | 72.9 Ų | 72.9 | 4% | 0.036 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -77 | 118.4 | 175.6 | -63 | 164.7 | 0 | 0 | 0 | 106.1 | C121 G122 I124 L147 V206 V221 | C121-I242 HydrophobicContact CB-CB 3.86Å; C121-I242 HydrophobicContact CB-CG2 3.65Å; C121-I242 WeakPolarHBondContact CB-O 3.05Å; C121-I242 WeakPolarHBondContact O-CD1 3.49Å; G122-I242 WeakPolarHBondContact O-CB 3.13Å; G122-I242 PolarHBondContact O-N 2.86Å; I124-I242 HydrophobicContact CB-CD1 4.26Å; I124-I242 HydrophobicContact CB-CG1 4.2Å; I124-I242 HydrophobicContact CG2-CG1 4.21Å; L147-I242 HydrophobicContact CD2-CD1 3.34Å; V206-I242 HydrophobicContact CG2-CD1 3.99Å; V206-I242 HydrophobicContact CG2-CG1 4.37Å; V221-I242 HydrophobicContact CG2-CG1 4.18Å |
| 243 | Q | 89.5 | Confident | 77.8 | Confident | 138 Ų | 138 | 72.8 Ų | 72.8 | 65% | 0.645 | 37% | 0.374 | S | S | * | . | B | Isolated β-bridge | trans | -77 | 135.3 | 176.5 | -63.8 | -170.8 | 7.1 | 0 | 0 | 108.8 | G219 E220 D241 A245 | G219-Q243 CarbonylContact C-O 3.57Å; G219-Q243 WeakPolarHBondContact CA-O 3.48Å; E220-Q243 PolarHBondContact N-O 2.79Å; E220-Q243 PolarHBondContact O-N 3.37Å; D241-Q243 PolarHBondContact O-N 2.98Å; Q243-A245 PolarHBondContact O-N 3.35Å |
| 244 | Y | 78.7 | Confident | 78.4 | Confident | 84 Ų | 84 | 72.1 Ų | 72.1 | 33% | 0.329 | 36% | 0.364 | S | S | . | . | trans | -64.9 | 105.6 | 171.5 | -171.8 | -105.3 | 0 | 0 | 0 | 108 | K119 C121 T246 | K119-Y244 HydrophobicContact CB-CD2 3.96Å; K119-Y244 HydrophobicContact CB-CE2 4.39Å; K119-Y244 HydrophobicContact CB-CG 4.02Å; K119-Y244 HydrophobicContact CD-CD1 4.02Å; K119-Y244 HydrophobicContact CD-CD2 3.99Å; K119-Y244 HydrophobicContact CD-CE1 3.68Å; K119-Y244 HydrophobicContact CD-CE2 3.65Å; K119-Y244 HydrophobicContact CD-CG 4.16Å; K119-Y244 VanDerWaalsContact CD-CZ 3.48Å; K119-Y244 PolarHBondContact NZ-OH 2.85Å; C121-Y244 WeakPolarHBondContact SG-CA 3.13Å; C121-Y244 WeakPolarHBondContact SG-CB 3.42Å; C121-Y244 WeakPolarHBondContact SG-CD2 3.3Å; Y244-T246 HydrophobicContact CD1-CG2 3.87Å; Y244-T246 HydrophobicContact CE1-CG2 4.2Å; Y244-T246 PolarHBondContact O-N 3.3Å | ||
| 245 | A | 63.4 | Low | 79.1 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 13% | 0.132 | 33% | 0.331 | C | S | . | . | trans | -63.8 | 102.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | M217 E220 Q243 S247 | M217-A245 HydrophobicContact CG-CB 4.39Å; M217-A245 HydrophobicContact SD-CB 3.51Å; M217-A245 VanDerWaalsContact SD-CB 3.51Å; E220-A245 HydrophobicContact CG-CB 4.22Å; Q243-A245 PolarHBondContact O-N 3.35Å; A245-S247 PolarHBondContact O-N 3.25Å | ||
| 246 | T | 53.2 | Low | 79.8 | Confident | 110 Ų | 110 | 59.7 Ų | 59.7 | 68% | 0.675 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -70.3 | 72.2 | 179 | 26 | 0 | 0 | 0 | 0 | 110.3 | Y244 K391 | Y244-T246 HydrophobicContact CD1-CG2 3.87Å; Y244-T246 HydrophobicContact CE1-CG2 4.2Å; Y244-T246 PolarHBondContact O-N 3.3Å; T246-K391 PolarHBondContact O-NZ 3.48Å |
| 247 | S | 47.3 | Very low | 80.6 | Confident | 53 Ų | 53 | 58 Ų | 58 | 37% | 0.371 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 53.3 | 109.5 | -166 | -69.3 | 0 | 0 | 0 | 0 | 110.2 | A245 S249 E388 K391 | A245-S247 PolarHBondContact O-N 3.25Å; S247-S249 PolarHBondContact O-N 3.03Å; S247-E388 WeakPolarHBondContact CB-OE2 3.31Å; S247-E388 PolarHBondContact OG-OE2 3.2Å; S247-K391 PolarHBondContact O-NZ 3.44Å |
| 248 | E | 48.7 | Very low | 81 | Confident | 70 Ų | 70 | 54 Ų | 54 | 33% | 0.327 | 28% | 0.283 | S | S | . | . | trans | -13.6 | 124.6 | 154.3 | -63 | 178.2 | 127.6 | 0 | 0 | 111.8 | M217 V250 | M217-E248 HydrophobicContact CE-CG 3.62Å; M217-E248 WeakPolarHBondContact CE-OE1 3.46Å; M217-E248 HydrophobicContact SD-CG 3.79Å; E248-V250 HydrophobicContact CB-CB 4.12Å; E248-V250 HydrophobicContact CB-CG2 3.14Å; E248-V250 VanDerWaalsContact CD-CG2 3.5Å; E248-V250 HydrophobicContact CG-CG2 3.88Å; E248-V250 PolarHBondContact O-N 2.99Å; E248-V250 WeakPolarHBondContact OE2-CG2 3.13Å | ||
| 249 | S | 51.6 | Low | 81.3 | Confident | 126 Ų | 126 | 53.4 Ų | 53.4 | 88% | 0.881 | 28% | 0.28 | S | S | * | . | trans | -63.5 | 67.8 | 140.9 | 56.3 | 0 | 0 | 0 | 0 | 106.4 | S247 D251 | S247-S249 PolarHBondContact O-N 3.03Å; S249-D251 PolarHBondContact O-N 3.45Å; S249-D251 VanDerWaalsContact O-N 3.09Å | ||
| 250 | V | 62.9 | Low | 81.5 | Confident | 30 Ų | 30 | 50.4 Ų | 50.4 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | trans | -60.5 | 121 | 168.2 | -162.6 | 0 | 0 | 0 | 0 | 103 | E248 L252 K279 | E248-V250 HydrophobicContact CB-CB 4.12Å; E248-V250 HydrophobicContact CB-CG2 3.14Å; E248-V250 VanDerWaalsContact CD-CG2 3.5Å; E248-V250 HydrophobicContact CG-CG2 3.88Å; E248-V250 PolarHBondContact O-N 2.99Å; E248-V250 WeakPolarHBondContact OE2-CG2 3.13Å; V250-L252 HydrophobicContact CB-CD2 3.64Å; V250-L252 HydrophobicContact CB-CG 4.02Å; V250-L252 HydrophobicContact CG1-CD2 3.65Å; V250-L252 HydrophobicContact CG1-CG 4.41Å; V250-L252 HydrophobicContact CG2-CD2 4.31Å; V250-L252 PolarHBondContact O-N 2.92Å; V250-K279 HydrophobicContact CG1-CD 3.96Å | ||
| 251 | D | 74.8 | Confident | 81.7 | Confident | 98 Ų | 98 | 46.7 Ų | 46.7 | 52% | 0.524 | 26% | 0.259 | S | S | . | . | trans | -65.3 | 93 | 162.7 | -172.4 | 4.3 | 0 | 0 | 0 | 106.4 | S249 G253 | S249-D251 PolarHBondContact O-N 3.45Å; S249-D251 VanDerWaalsContact O-N 3.09Å; D251-G253 PolarHBondContact O-N 3.16Å; D251-G253 WeakPolarHBondContact OD1-CA 3.44Å; D251-G253 PolarHBondContact OD1-N 2.79Å | ||
| 252 | L | 88.8 | Confident | 81.9 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | trans | -76.1 | -4.2 | 174.3 | -61.5 | 178.6 | 0 | 0 | 0 | 110.8 | V250 K279 I352 L386 E388 | V250-L252 HydrophobicContact CB-CD2 3.64Å; V250-L252 HydrophobicContact CB-CG 4.02Å; V250-L252 HydrophobicContact CG1-CD2 3.65Å; V250-L252 HydrophobicContact CG1-CG 4.41Å; V250-L252 HydrophobicContact CG2-CD2 4.31Å; V250-L252 PolarHBondContact O-N 2.92Å; L252-K279 HydrophobicContact CD2-CB 4.35Å; L252-K279 HydrophobicContact CD2-CD 3.73Å; L252-K279 PolarHBondContact O-N 3.37Å; L252-I352 WeakPolarHBondContact CD2-O 2.88Å; L252-L386 HydrophobicContact CB-CB 3.76Å; L252-L386 WeakPolarHBondContact O-CD1 3.4Å; L252-E388 HydrophobicContact CD1-CG 4.04Å | ||
| 253 | G | 90.8 | Very high | 81.9 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | trans | 92.6 | -179.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D251 R276 N277 L386 | D251-G253 PolarHBondContact O-N 3.16Å; D251-G253 WeakPolarHBondContact OD1-CA 3.44Å; D251-G253 PolarHBondContact OD1-N 2.79Å; G253-R276 VanDerWaalsContact CA-O 3.25Å; G253-R276 WeakPolarHBondContact CA-O 2.95Å; G253-N277 WeakPolarHBondContact CA-O 3.35Å; G253-N277 PolarHBondContact N-O 3.47Å; G253-L386 VanDerWaalsContact O-CB 3.26Å; G253-L386 WeakPolarHBondContact O-CB 3.24Å; G253-L386 WeakPolarHBondContact O-CG 3.3Å; G253-L386 PolarHBondContact O-N 3.33Å | ||
| 254 | E | 92.6 | Very high | 82.1 | Confident | 47 Ų | 47 | 46.3 Ų | 46.3 | 22% | 0.22 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 148.3 | -179.8 | -60.4 | 174.5 | 106.7 | 0 | 0 | 109.9 | C275 R276 W383 H384 | E254-C275 CarbonylContact O-C 3.51Å; E254-C275 WeakPolarHBondContact O-CA 3.35Å; E254-C275 WeakPolarHBondContact O-CB 3.26Å; E254-R276 HydrophobicContact CB-CG 4.25Å; E254-R276 PolarHBondContact N-O 3.44Å; E254-R276 PolarHBondContact O-N 2.96Å; E254-R276 IonicContact OE1-NH2 3.57Å; E254-R276 IonicContact OE2-CZ 3.61Å; E254-R276 IonicContact OE2-NE 2.69Å; E254-R276 PolarHBondContact OE2-NE 3.46Å; E254-R276 IonicContact OE2-NH2 2.72Å; E254-R276 PolarHBondContact OE2-NH2 2.96Å; E254-W383 HydrophobicContact CB-CE3 3.76Å; E254-W383 HydrophobicContact CB-CZ3 4.13Å; E254-H384 WeakPolarHBondContact CA-O 3.5Å |
| 255 | I | 97.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.2 | 174.5 | -176.1 | 167.7 | 0 | 0 | 0 | 110 | F257 V272 V291 I338 V340 H384 L386 | I255-F257 HydrophobicContact CG1-CD1 4.32Å; I255-F257 HydrophobicContact CG2-CD1 4.28Å; I255-F257 HydrophobicContact CG2-CE1 4.41Å; I255-V272 HydrophobicContact CD1-CG1 4.3Å; I255-V291 HydrophobicContact CD1-CG1 3.94Å; I255-V291 HydrophobicContact CD1-CG2 3.97Å; I255-I338 HydrophobicContact CD1-CG2 3.88Å; I255-V340 HydrophobicContact CD1-CG2 4Å; I255-H384 HydrophobicContact CG2-CB 4.09Å; I255-H384 PolarHBondContact N-O 3.34Å; I255-H384 PolarHBondContact O-N 2.77Å; I255-L386 HydrophobicContact CB-CD2 4.27Å; I255-L386 HydrophobicContact CG2-CD2 3.75Å; I255-L386 HydrophobicContact CG2-CG 4.42Å |
| 256 | M | 97.9 | Very high | 84.4 | Confident | 37 Ų | 37 | 44.4 Ų | 44.4 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.7 | 169.7 | -178.1 | 175.7 | -112.4 | 0 | 0 | 109.3 | I273 K274 H382 W383 | M256-I273 HydrophobicContact CB-CB 4.42Å; M256-I273 HydrophobicContact CG-CB 4.11Å; M256-I273 HydrophobicContact CG-CD1 3.97Å; M256-I273 HydrophobicContact CG-CG2 4.47Å; M256-I273 WeakPolarHBondContact O-CB 3.18Å; M256-I273 PolarHBondContact O-N 2.72Å; M256-I273 HydrophobicContact SD-CB 4.49Å; M256-I273 HydrophobicContact SD-CD1 4.33Å; M256-I273 HydrophobicContact SD-CG2 4.2Å; M256-K274 HydrophobicContact CB-CG 4.2Å; M256-K274 PolarHBondContact N-O 2.75Å; M256-K274 PolarHBondContact O-N 2.8Å; M256-K274 HydrophobicContact SD-CG 4.49Å; M256-H382 WeakPolarHBondContact CA-O 3.32Å; M256-W383 HydrophobicContact CB-CD2 3.77Å; M256-W383 HydrophobicContact CB-CE3 3.62Å; M256-W383 HydrophobicContact CB-CH2 3.9Å; M256-W383 HydrophobicContact CB-CZ2 4.05Å; M256-W383 HydrophobicContact CB-CZ3 3.67Å; M256-W383 HydrophobicContact CE-CD2 4.21Å; M256-W383 HydrophobicContact CE-CG 4.12Å; M256-W383 HydrophobicContact CE-CZ2 4.3Å; M256-W383 HydrophobicContact CG-CD2 4.39Å; M256-W383 HydrophobicContact SD-CZ2 4.07Å |
| 257 | F | 98.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 156.7 | 172.5 | 63.3 | -87 | 0 | 0 | 0 | 110.2 | I255 L259 L270 T271 I338 M355 V357 H368 H382 H384 | I255-F257 HydrophobicContact CG1-CD1 4.32Å; I255-F257 HydrophobicContact CG2-CD1 4.28Å; I255-F257 HydrophobicContact CG2-CE1 4.41Å; F257-L259 HydrophobicContact CD2-CD2 4.13Å; F257-L259 HydrophobicContact CD2-CG 4.07Å; F257-L259 HydrophobicContact CE2-CD1 4.08Å; F257-L259 HydrophobicContact CE2-CD2 4.09Å; F257-L259 HydrophobicContact CE2-CG 3.84Å; F257-L270 HydrophobicContact CB-CD2 4.3Å; F257-L270 HydrophobicContact CD2-CD1 4.04Å; F257-L270 HydrophobicContact CD2-CG 4.09Å; F257-L270 HydrophobicContact CE2-CD1 4.45Å; F257-T271 CarbonylContact C-O 3.58Å; F257-T271 WeakPolarHBondContact CA-O 3.12Å; F257-T271 VanDerWaalsContact CB-O 3.28Å; F257-T271 WeakPolarHBondContact CB-O 3.31Å; F257-I338 HydrophobicContact CD1-CD1 3.94Å; F257-I338 HydrophobicContact CD2-CD1 4.23Å; F257-I338 HydrophobicContact CE1-CD1 3.62Å; F257-I338 HydrophobicContact CE2-CD1 3.93Å; F257-I338 HydrophobicContact CG-CD1 4.24Å; F257-I338 HydrophobicContact CZ-CD1 3.64Å; F257-M355 HydrophobicContact CE1-CG 4.18Å; F257-V357 HydrophobicContact CE1-CG2 4.44Å; F257-V357 HydrophobicContact CE2-CG1 4.44Å; F257-V357 HydrophobicContact CE2-CG2 3.89Å; F257-V357 HydrophobicContact CZ-CG1 4.38Å; F257-V357 HydrophobicContact CZ-CG2 3.46Å; F257-V357 VanDerWaalsContact CZ-CG2 3.46Å; F257-H368 AromaticContact CD2-CE1 3.78Å; F257-H368 AromaticContact CE2-CE1 3.4Å; F257-H368 VanDerWaalsContact CE2-CE1 3.4Å; F257-H368 WeakPolarHBondContact CE2-CE1 3.4Å; F257-H368 AromaticContact CE2-ND1 3.43Å; F257-H368 WeakPolarHBondContact CE2-ND1 3.43Å; F257-H368 AromaticContact CZ-CE1 3.96Å; F257-H368 AromaticContact CZ-ND1 3.62Å; F257-H368 PolarHBondContact O-CE1 3.29Å; F257-H382 PolarHBondContact N-O 3.01Å; F257-H382 PolarHBondContact O-N 3.13Å; F257-H384 HydrophobicContact CE1-CB 4.02Å; F257-H384 AromaticContact CE1-CD2 3.25Å; F257-H384 WeakPolarHBondContact CE1-CD2 3.32Å; F257-H384 AromaticContact CE1-CG 3.66Å; F257-H384 AromaticContact CZ-CD2 3.5Å; F257-H384 VanDerWaalsContact CZ-CD2 3.5Å; F257-H384 WeakPolarHBondContact CZ-CD2 3.33Å; F257-H384 AromaticContact CZ-NE2 3.78Å |
| 258 | S | 98.4 | Very high | 88.9 | Confident | 11 Ų | 11 | 42 Ų | 42 | 8% | 0.077 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 145 | 172.3 | 73.3 | 0 | 0 | 0 | 0 | 112.4 | L270 T271 I380 | S258-L270 CarbonylContact O-C 3.52Å; S258-L270 VanDerWaalsContact O-CA 3.3Å; S258-L270 WeakPolarHBondContact O-CA 3.13Å; S258-T271 PolarHBondContact N-O 3.11Å; S258-T271 PolarHBondContact O-N 2.87Å; S258-T271 VanDerWaalsContact OG-CB 3.31Å; S258-T271 WeakPolarHBondContact OG-CB 3.43Å; S258-I380 CarbonylContact C-O 3.51Å; S258-I380 WeakPolarHBondContact CA-O 3.46Å; S258-I380 WeakPolarHBondContact CB-O 3.38Å |
| 259 | L | 98.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.4 | 171.2 | -65.8 | -179.8 | 0 | 0 | 0 | 110.7 | F257 L270 L336 V357 W369 M372 P379 I380 | F257-L259 HydrophobicContact CD2-CD2 4.13Å; F257-L259 HydrophobicContact CD2-CG 4.07Å; F257-L259 HydrophobicContact CE2-CD1 4.08Å; F257-L259 HydrophobicContact CE2-CD2 4.09Å; F257-L259 HydrophobicContact CE2-CG 3.84Å; L259-L270 HydrophobicContact CD2-CB 3.9Å; L259-L270 HydrophobicContact CD2-CD1 3.89Å; L259-L270 HydrophobicContact CD2-CG 3.92Å; L259-L336 HydrophobicContact CD2-CD1 4.12Å; L259-V357 HydrophobicContact CD1-CG1 3.77Å; L259-W369 HydrophobicContact CD1-CE3 3.93Å; L259-W369 HydrophobicContact CD1-CZ3 4.42Å; L259-M372 HydrophobicContact CB-CB 4.07Å; L259-M372 HydrophobicContact CB-CG 3.84Å; L259-M372 HydrophobicContact CB-SD 3.61Å; L259-M372 HydrophobicContact CD1-SD 4.2Å; L259-M372 HydrophobicContact CG-SD 4.41Å; L259-P379 WeakPolarHBondContact O-CA 3.43Å; L259-I380 PolarHBondContact N-O 3.41Å; L259-I380 PolarHBondContact O-N 3.44Å |
| 260 | C | 98.1 | Very high | 93.5 | Very high | 26 Ų | 26 | 34.3 Ų | 34.3 | 18% | 0.176 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 120.3 | 173.8 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | T269 R377 P379 | C260-T269 PolarHBondContact N-O 2.7Å; C260-T269 PolarHBondContact O-N 2.53Å; C260-R377 VanDerWaalsContact SG-C 3.52Å; C260-P379 HydrophobicContact CB-CB 4.22Å |
| 261 | Y | 97.6 | Very high | 95.2 | Very high | 10 Ų | 10 | 34.5 Ų | 34.5 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 134.7 | 175.1 | -173.5 | -119.5 | 0 | 0 | 0 | 111.5 | P263 R267 L268 I326 P328 M331 L373 R377 | Y261-P263 HydrophobicContact CD1-CB 4.33Å; Y261-P263 HydrophobicContact CD1-CG 3.69Å; Y261-P263 VanDerWaalsContact CE1-CA 3.49Å; Y261-P263 HydrophobicContact CE1-CB 3.82Å; Y261-P263 HydrophobicContact CE1-CG 3.69Å; Y261-P263 WeakPolarHBondContact O-CD 3.34Å; Y261-R267 VanDerWaalsContact CD2-O 3.31Å; Y261-R267 WeakPolarHBondContact CD2-O 3.49Å; Y261-L268 HydrophobicContact CD2-CB 4Å; Y261-L268 HydrophobicContact CD2-CD1 4.39Å; Y261-I326 HydrophobicContact CE2-CB 4.48Å; Y261-I326 WeakPolarHBondContact CE2-O 3.19Å; Y261-I326 PolarHBondContact OH-O 3.08Å; Y261-P328 WeakPolarHBondContact OH-CA 3.28Å; Y261-M331 HydrophobicContact CD1-CE 3.24Å; Y261-M331 HydrophobicContact CD2-CE 3.33Å; Y261-M331 HydrophobicContact CE1-CE 3.32Å; Y261-M331 HydrophobicContact CE2-CE 3.43Å; Y261-M331 VanDerWaalsContact CE2-CE 3.43Å; Y261-M331 HydrophobicContact CG-CE 3.25Å; Y261-M331 VanDerWaalsContact CZ-CE 3.42Å; Y261-L373 HydrophobicContact CD1-CD2 4.46Å; Y261-R377 PolarHBondContact O-N 3.24Å |
| 262 | L | 96.8 | Very high | 96.3 | Very high | 59 Ų | 59 | 29.9 Ų | 29.9 | 31% | 0.309 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 96.1 | 172.8 | 179.6 | 63.5 | 0 | 0 | 0 | 108.8 | T264 A265 G266 R267 R377 | L262-T264 PolarHBondContact O-N 2.92Å; L262-A265 HydrophobicContact CD2-CB 3.57Å; L262-A265 HydrophobicContact CG-CB 3.87Å; L262-A265 PolarHBondContact O-N 2.79Å; L262-G266 PolarHBondContact O-N 2.74Å; L262-G266 VanDerWaalsContact O-N 3.08Å; L262-R267 HydrophobicContact CB-CB 4.49Å; L262-R267 PolarHBondContact N-O 3.16Å; L262-R267 PolarHBondContact O-N 2.64Å; L262-R267 VanDerWaalsContact O-N 3.1Å; L262-R377 HydrophobicContact CD1-CG 3.61Å |
| 263 | P | 94.6 | Very high | 96.8 | Very high | 47 Ų | 47 | 31.1 Ų | 31.1 | 31% | 0.305 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -58.7 | -42.4 | -175.6 | -24.3 | 31.3 | 0 | 0 | 0 | 113.7 | Y261 A265 G266 P376 | Y261-P263 HydrophobicContact CD1-CB 4.33Å; Y261-P263 HydrophobicContact CD1-CG 3.69Å; Y261-P263 VanDerWaalsContact CE1-CA 3.49Å; Y261-P263 HydrophobicContact CE1-CB 3.82Å; Y261-P263 HydrophobicContact CE1-CG 3.69Å; Y261-P263 WeakPolarHBondContact O-CD 3.34Å; P263-A265 PolarHBondContact O-N 3.16Å; P263-G266 PolarHBondContact O-N 3.21Å; P263-P376 HydrophobicContact CG-CB 4.2Å |
| 264 | T | 93.8 | Very high | 97.1 | Very high | 139 Ų | 139 | 35 Ų | 35 | 85% | 0.853 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -60.2 | -31.2 | -177.9 | -45.7 | 0 | 0 | 0 | 0 | 113.2 | L262 | L262-T264 PolarHBondContact O-N 2.92Š|
| 265 | A | 94.4 | Very high | 97.3 | Very high | 49 Ų | 49 | 33 Ų | 33 | 41% | 0.405 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -101.6 | -0.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L262 P263 R267 | L262-A265 HydrophobicContact CD2-CB 3.57Å; L262-A265 HydrophobicContact CG-CB 3.87Å; L262-A265 PolarHBondContact O-N 2.79Å; P263-A265 PolarHBondContact O-N 3.16Å; A265-R267 VanDerWaalsContact C-N 3.25Å; A265-R267 HydrophobicContact CB-CB 4.17Å; A265-R267 PolarHBondContact O-N 2.83Å |
| 266 | G | 95.9 | Very high | 97.1 | Very high | 11 Ų | 11 | 37.6 Ų | 37.6 | 11% | 0.113 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 43.9 | -171 | 0 | 0 | 0 | 0 | 0 | 112.3 | L262 P263 D325 I326 | L262-G266 PolarHBondContact O-N 2.74Å; L262-G266 VanDerWaalsContact O-N 3.08Å; P263-G266 PolarHBondContact O-N 3.21Å; G266-D325 CarbonylContact O-C 3.52Å; G266-D325 VanDerWaalsContact O-CA 3.32Å; G266-D325 WeakPolarHBondContact O-CA 3.3Å; G266-I326 CarbonylContact C-O 3.52Å; G266-I326 WeakPolarHBondContact CA-O 3.44Å; G266-I326 CarbonylContact O-C 3.45Å; G266-I326 PolarHBondContact O-N 2.72Å; G266-I326 VanDerWaalsContact O-O 3.11Å |
| 267 | R | 96.8 | Very high | 96.6 | Very high | 113 Ų | 113 | 39.6 Ų | 39.6 | 43% | 0.426 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 119.6 | -170.6 | -172.5 | 179 | -67.6 | 166.2 | 3.8 | 112 | Y261 L262 A265 I323 | Y261-R267 VanDerWaalsContact CD2-O 3.31Å; Y261-R267 WeakPolarHBondContact CD2-O 3.49Å; L262-R267 HydrophobicContact CB-CB 4.49Å; L262-R267 PolarHBondContact N-O 3.16Å; L262-R267 PolarHBondContact O-N 2.64Å; L262-R267 VanDerWaalsContact O-N 3.1Å; A265-R267 VanDerWaalsContact C-N 3.25Å; A265-R267 HydrophobicContact CB-CB 4.17Å; A265-R267 PolarHBondContact O-N 2.83Å; R267-I323 HydrophobicContact CG-CG2 3.5Å |
| 268 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.7 | 171.2 | 179.6 | 62 | 0 | 0 | 0 | 110.2 | Y261 I323 F324 I326 L336 W369 M372 | Y261-L268 HydrophobicContact CD2-CB 4Å; Y261-L268 HydrophobicContact CD2-CD1 4.39Å; L268-I323 CarbonylContact O-C 3.21Å; L268-I323 WeakPolarHBondContact O-CA 3.27Å; L268-F324 PolarHBondContact N-O 3.38Å; L268-F324 PolarHBondContact O-N 3.43Å; L268-I326 HydrophobicContact CB-CD1 3.69Å; L268-I326 HydrophobicContact CD2-CD1 3.44Å; L268-I326 VanDerWaalsContact CD2-CD1 3.44Å; L268-I326 HydrophobicContact CG-CD1 4.21Å; L268-L336 HydrophobicContact CD2-CD1 3.84Å; L268-L336 HydrophobicContact CD2-CG 4.36Å; L268-W369 HydrophobicContact CD2-CH2 3.65Å; L268-W369 HydrophobicContact CD2-CZ3 3.82Å; L268-M372 HydrophobicContact CD1-CE 4.19Å; L268-M372 HydrophobicContact CD1-SD 3.27Å; L268-M372 WeakPolarHBondContact CD1-SD 3.42Å |
| 269 | T | 98.1 | Very high | 95.8 | Very high | 34 Ų | 34 | 41.9 Ų | 41.9 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.3 | 173.8 | -54 | 0 | 0 | 0 | 0 | 109.2 | C260 A321 I323 | C260-T269 PolarHBondContact N-O 2.7Å; C260-T269 PolarHBondContact O-N 2.53Å; T269-A321 HydrophobicContact CG2-CB 4.1Å; T269-I323 HydrophobicContact CG2-CG1 4.21Å |
| 270 | L | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 117.2 | 167.4 | -179.1 | 157.1 | 0 | 0 | 0 | 108.5 | F257 S258 L259 V272 V293 I322 L336 I338 | F257-L270 HydrophobicContact CB-CD2 4.3Å; F257-L270 HydrophobicContact CD2-CD1 4.04Å; F257-L270 HydrophobicContact CD2-CG 4.09Å; F257-L270 HydrophobicContact CE2-CD1 4.45Å; S258-L270 CarbonylContact O-C 3.52Å; S258-L270 VanDerWaalsContact O-CA 3.3Å; S258-L270 WeakPolarHBondContact O-CA 3.13Å; L259-L270 HydrophobicContact CD2-CB 3.9Å; L259-L270 HydrophobicContact CD2-CD1 3.89Å; L259-L270 HydrophobicContact CD2-CG 3.92Å; L270-V272 HydrophobicContact CD2-CG2 3.46Å; L270-V272 VanDerWaalsContact CD2-CG2 3.46Å; L270-V293 HydrophobicContact CD1-CG1 4.12Å; L270-V293 HydrophobicContact CD1-CG2 4.46Å; L270-V293 HydrophobicContact CD2-CG2 4.17Å; L270-I322 PolarHBondContact N-O 3.33Å; L270-I322 PolarHBondContact O-N 3.45Å; L270-L336 HydrophobicContact CB-CD1 4.39Å; L270-L336 HydrophobicContact CD1-CD1 3.63Å; L270-I338 HydrophobicContact CD1-CD1 3.76Å; L270-I338 HydrophobicContact CD1-CG1 4.19Å |
| 271 | T | 98.6 | Very high | 94.5 | Very high | 35 Ų | 35 | 43.8 Ų | 43.8 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 113.5 | 174.1 | -51.3 | 0 | 0 | 0 | 0 | 109.3 | F257 S258 I273 E320 | F257-T271 CarbonylContact C-O 3.58Å; F257-T271 WeakPolarHBondContact CA-O 3.12Å; F257-T271 VanDerWaalsContact CB-O 3.28Å; F257-T271 WeakPolarHBondContact CB-O 3.31Å; S258-T271 PolarHBondContact N-O 3.11Å; S258-T271 PolarHBondContact O-N 2.87Å; S258-T271 VanDerWaalsContact OG-CB 3.31Å; S258-T271 WeakPolarHBondContact OG-CB 3.43Å; T271-I273 HydrophobicContact CG2-CG1 4.4Å; T271-I273 PolarHBondContact O-N 3.27Å; T271-E320 CarbonylContact C-O 3.43Å; T271-E320 WeakPolarHBondContact CA-O 3.23Å |
| 272 | V | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 114.3 | 171.6 | -176.8 | 0 | 0 | 0 | 0 | 107.3 | I255 L270 V291 T307 Y318 N319 E320 I322 | I255-V272 HydrophobicContact CD1-CG1 4.3Å; L270-V272 HydrophobicContact CD2-CG2 3.46Å; L270-V272 VanDerWaalsContact CD2-CG2 3.46Å; V272-V291 HydrophobicContact CG1-CB 4.19Å; V272-V291 HydrophobicContact CG1-CG1 4.44Å; V272-V291 HydrophobicContact CG1-CG2 3.81Å; V272-V291 HydrophobicContact CG2-CB 4.36Å; V272-V291 HydrophobicContact CG2-CG1 4.12Å; V272-T307 HydrophobicContact CB-CG2 4.02Å; V272-T307 HydrophobicContact CG1-CG2 4.29Å; V272-T307 HydrophobicContact CG2-CG2 3.87Å; V272-Y318 HydrophobicContact CG1-CD2 3.59Å; V272-Y318 HydrophobicContact CG1-CE2 4.29Å; V272-Y318 HydrophobicContact CG1-CG 3.98Å; V272-Y318 WeakPolarHBondContact O-CB 3.15Å; V272-N319 CarbonylContact O-C 3.5Å; V272-N319 VanDerWaalsContact O-CA 3.25Å; V272-N319 WeakPolarHBondContact O-CA 3.21Å; V272-N319 PolarHBondContact O-N 3.17Å; V272-E320 PolarHBondContact N-O 3.29Å; V272-E320 PolarHBondContact O-N 3.42Å; V272-I322 HydrophobicContact CG2-CD1 4.2Å |
| 273 | I | 98.5 | Very high | 92.3 | Very high | 35 Ų | 35 | 51.1 Ų | 51.1 | 18% | 0.179 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -65.2 | -173.9 | -60.5 | 170.6 | 0 | 0 | 0 | 109 | M256 T271 Y318 N319 A381 | M256-I273 HydrophobicContact CB-CB 4.42Å; M256-I273 HydrophobicContact CG-CB 4.11Å; M256-I273 HydrophobicContact CG-CD1 3.97Å; M256-I273 HydrophobicContact CG-CG2 4.47Å; M256-I273 WeakPolarHBondContact O-CB 3.18Å; M256-I273 PolarHBondContact O-N 2.72Å; M256-I273 HydrophobicContact SD-CB 4.49Å; M256-I273 HydrophobicContact SD-CD1 4.33Å; M256-I273 HydrophobicContact SD-CG2 4.2Å; T271-I273 HydrophobicContact CG2-CG1 4.4Å; T271-I273 PolarHBondContact O-N 3.27Å; I273-Y318 PolarHBondContact O-N 2.91Å; I273-N319 PolarHBondContact O-N 3.08Å; I273-N319 VanDerWaalsContact O-N 3.11Å; I273-A381 HydrophobicContact CD1-CB 4.08Å |
| 274 | K | 97.4 | Very high | 91.2 | Very high | 83 Ų | 83 | 53 Ų | 53 | 36% | 0.361 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 163.9 | -177.8 | 60.8 | -174.7 | 177.3 | 178.6 | 0 | 111.7 | M256 P316 T317 W383 | M256-K274 HydrophobicContact CB-CG 4.2Å; M256-K274 PolarHBondContact N-O 2.75Å; M256-K274 PolarHBondContact O-N 2.8Å; M256-K274 HydrophobicContact SD-CG 4.49Å; K274-P316 CarbonylContact C-O 3.37Å; K274-P316 WeakPolarHBondContact CA-O 3.47Å; K274-P316 VanDerWaalsContact CB-O 3.3Å; K274-P316 WeakPolarHBondContact CB-O 3.48Å; K274-T317 HydrophobicContact CB-CG2 4.41Å; K274-W383 HydrophobicContact CD-CH2 4.27Å; K274-W383 HydrophobicContact CD-CZ2 4.44Å; K274-W383 HydrophobicContact CG-CH2 3.86Å; K274-W383 HydrophobicContact CG-CZ2 4.35Å |
| 275 | C | 97.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.02 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 160.7 | 165.6 | -53.5 | 0 | 0 | 0 | 0 | 110.1 | E254 L278 N315 P316 | E254-C275 CarbonylContact O-C 3.51Å; E254-C275 WeakPolarHBondContact O-CA 3.35Å; E254-C275 WeakPolarHBondContact O-CB 3.26Å; C275-L278 HydrophobicContact CB-CD1 3.84Å; C275-L278 HydrophobicContact CB-CD2 3.74Å; C275-L278 HydrophobicContact CB-CG 3.83Å; C275-N315 CarbonylContact O-C 3.55Å; C275-N315 VanDerWaalsContact O-CA 3.31Å; C275-N315 WeakPolarHBondContact O-CA 3.47Å; C275-P316 HydrophobicContact CB-CG 3.8Å; C275-P316 PolarHBondContact N-O 3.42Å |
| 276 | R | 91.8 | Very high | 90 | Very high | 97 Ų | 97 | 51.2 Ų | 51.2 | 37% | 0.366 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 153.9 | 170.8 | 68.6 | -177.1 | 179.7 | -176.1 | -1.1 | 111.6 | G253 E254 L278 N315 W383 | G253-R276 VanDerWaalsContact CA-O 3.25Å; G253-R276 WeakPolarHBondContact CA-O 2.95Å; E254-R276 HydrophobicContact CB-CG 4.25Å; E254-R276 PolarHBondContact N-O 3.44Å; E254-R276 PolarHBondContact O-N 2.96Å; E254-R276 IonicContact OE1-NH2 3.57Å; E254-R276 IonicContact OE2-CZ 3.61Å; E254-R276 IonicContact OE2-NE 2.69Å; E254-R276 PolarHBondContact OE2-NE 3.46Å; E254-R276 IonicContact OE2-NH2 2.72Å; E254-R276 PolarHBondContact OE2-NH2 2.96Å; R276-L278 PolarHBondContact O-N 2.95Å; R276-N315 WeakPolarHBondContact CA-OD1 3.46Å; R276-N315 WeakPolarHBondContact CB-OD1 3.31Å; R276-W383 HydrophobicContact CB-CH2 4.12Å; R276-W383 HydrophobicContact CB-CZ3 4.35Å; R276-W383 HydrophobicContact CG-CE3 4.46Å; R276-W383 HydrophobicContact CG-CH2 3.73Å; R276-W383 HydrophobicContact CG-CZ3 3.7Å |
| 277 | N | 87.8 | Confident | 89.8 | Confident | 79 Ų | 79 | 50.7 Ų | 50.7 | 42% | 0.422 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 52.1 | 36.3 | 177.3 | -58.2 | -12.6 | 0 | 0 | 0 | 113.6 | G253 L314 N315 | G253-N277 WeakPolarHBondContact CA-O 3.35Å; G253-N277 PolarHBondContact N-O 3.47Å; N277-L314 PolarHBondContact N-O 2.87Å; N277-N315 PolarHBondContact N-OD1 3.28Å |
| 278 | L | 92.5 | Very high | 89.7 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 145.8 | 177.6 | -64.5 | -178.2 | 0 | 0 | 0 | 110.7 | C275 R276 A280 P289 L314 P316 V340 I352 L386 | C275-L278 HydrophobicContact CB-CD1 3.84Å; C275-L278 HydrophobicContact CB-CD2 3.74Å; C275-L278 HydrophobicContact CB-CG 3.83Å; R276-L278 PolarHBondContact O-N 2.95Å; L278-A280 PolarHBondContact O-N 3.23Å; L278-P289 HydrophobicContact CD1-CB 3.6Å; L278-P289 HydrophobicContact CD1-CG 3.89Å; L278-L314 HydrophobicContact CB-CB 4.33Å; L278-L314 HydrophobicContact CB-CD2 4.41Å; L278-L314 WeakPolarHBondContact CB-O 3.45Å; L278-L314 WeakPolarHBondContact CG-O 3.23Å; L278-L314 PolarHBondContact N-O 3.32Å; L278-L314 WeakPolarHBondContact O-CD2 3.37Å; L278-P316 HydrophobicContact CD1-CG 3.76Å; L278-V340 HydrophobicContact CD1-CG1 4.01Å; L278-V340 HydrophobicContact CD2-CG1 4.1Å; L278-I352 HydrophobicContact CD1-CD1 4.48Å; L278-I352 HydrophobicContact CD2-CG2 4.47Å; L278-L386 HydrophobicContact CD2-CD1 3.52Å |
| 279 | K | 87.4 | Confident | 89.7 | Confident | 56 Ų | 56 | 46.6 Ų | 46.6 | 24% | 0.243 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -64 | 127.6 | 171.3 | 177.8 | 176 | -173.9 | 162.5 | 0 | 109.8 | V250 L252 M281 S287 I352 | V250-K279 HydrophobicContact CG1-CD 3.96Å; L252-K279 HydrophobicContact CD2-CB 4.35Å; L252-K279 HydrophobicContact CD2-CD 3.73Å; L252-K279 PolarHBondContact O-N 3.37Å; K279-M281 HydrophobicContact CD-SD 4.02Å; K279-M281 HydrophobicContact CG-SD 4.09Å; K279-M281 PolarHBondContact O-N 2.77Å; K279-S287 PolarHBondContact O-OG 2.91Å; K279-I352 HydrophobicContact CB-CG2 4.11Å |
| 280 | A | 86.3 | Confident | 89.8 | Confident | 40 Ų | 40 | 45.4 Ų | 45.4 | 33% | 0.331 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -68.2 | 123.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | L278 G285 Y286 L314 | L278-A280 PolarHBondContact O-N 3.23Å; A280-G285 VanDerWaalsContact CB-C 3.42Å; A280-G285 VanDerWaalsContact CB-O 3.27Å; A280-G285 WeakPolarHBondContact CB-O 3.41Å; A280-Y286 WeakPolarHBondContact CA-O 3.48Å; A280-L314 HydrophobicContact CB-CD1 4.23Å; A280-L314 HydrophobicContact CB-CD2 4.07Å |
| 281 | M | 83.2 | Confident | 89.8 | Confident | 26 Ų | 26 | 45.4 Ų | 45.4 | 13% | 0.128 | 24% | 0.238 | C | C | . | . | trans | -108.1 | -23.3 | 177.1 | -40.1 | -87.7 | -84.2 | 0 | 0 | 112.2 | R214 K279 Y286 S287 D342 E350 I351 I352 | R214-M281 PolarHBondContact NH2-SD 3.35Å; K279-M281 HydrophobicContact CD-SD 4.02Å; K279-M281 HydrophobicContact CG-SD 4.09Å; K279-M281 PolarHBondContact O-N 2.77Å; M281-Y286 PolarHBondContact N-O 2.84Å; M281-S287 PolarHBondContact N-OG 2.9Å; M281-D342 HydrophobicContact CB-CB 4.3Å; M281-D342 WeakPolarHBondContact CB-OD2 3.17Å; M281-D342 HydrophobicContact CG-CB 4.11Å; M281-D342 WeakPolarHBondContact CG-OD2 3.22Å; M281-E350 HydrophobicContact CE-CB 3.46Å; M281-E350 VanDerWaalsContact CE-CB 3.46Å; M281-E350 HydrophobicContact CE-CG 4.45Å; M281-I351 VanDerWaalsContact CE-O 3.22Å; M281-I351 WeakPolarHBondContact CE-O 3.48Å; M281-I352 HydrophobicContact CE-CG1 4.39Å; M281-I352 HydrophobicContact CG-CD1 4.36Å; M281-I352 HydrophobicContact CG-CG1 3.84Å; M281-I352 HydrophobicContact SD-CG1 4.3Å | ||
| 282 | D | 76.8 | Confident | 89.7 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 20% | 0.203 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -76.9 | 149.5 | 175.9 | -66.5 | -35.5 | 0 | 0 | 0 | 111.8 | T284 G285 Y286 | D282-T284 VanDerWaalsContact CB-OG1 3.24Å; D282-T284 WeakPolarHBondContact CB-OG1 3.41Å; D282-T284 PolarHBondContact O-N 3Å; D282-G285 PolarHBondContact O-N 3.3Å; D282-Y286 WeakPolarHBondContact CB-O 3.48Å; D282-Y286 PolarHBondContact N-O 2.83Å |
| 283 | I | 72.1 | Confident | 89.7 | Confident | 185 Ų | 185 | 45.3 Ų | 45.3 | 95% | 0.949 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -18.6 | 170.5 | 62.1 | 167.4 | 0 | 0 | 0 | 113.2 | G285 | I283-G285 PolarHBondContact O-N 2.73Š|
| 284 | T | 72.2 | Confident | 89.7 | Confident | 87 Ų | 87 | 44 Ų | 44 | 53% | 0.534 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -11.6 | 177.4 | 60.5 | 0 | 0 | 0 | 0 | 112.5 | D282 Y286 | D282-T284 VanDerWaalsContact CB-OG1 3.24Å; D282-T284 WeakPolarHBondContact CB-OG1 3.41Å; D282-T284 PolarHBondContact O-N 3Å; T284-Y286 PolarHBondContact OG1-N 2.87Å |
| 285 | G | 75.3 | Confident | 89.6 | Confident | 41 Ų | 41 | 40.5 Ų | 40.5 | 42% | 0.423 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 83.9 | 13.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A280 D282 I283 | A280-G285 VanDerWaalsContact CB-C 3.42Å; A280-G285 VanDerWaalsContact CB-O 3.27Å; A280-G285 WeakPolarHBondContact CB-O 3.41Å; D282-G285 PolarHBondContact O-N 3.3Å; I283-G285 PolarHBondContact O-N 2.73Å |
| 286 | Y | 86.7 | Confident | 89.4 | Confident | 109 Ų | 109 | 41.1 Ų | 41.1 | 43% | 0.427 | 22% | 0.217 | S | C | . | . | trans | -127.2 | -167.3 | 175.5 | -67.6 | -86 | 0 | 0 | 0 | 110.9 | A280 M281 D282 T284 N312 L314 | A280-Y286 WeakPolarHBondContact CA-O 3.48Å; M281-Y286 PolarHBondContact N-O 2.84Å; D282-Y286 WeakPolarHBondContact CB-O 3.48Å; D282-Y286 PolarHBondContact N-O 2.83Å; T284-Y286 PolarHBondContact OG1-N 2.87Å; Y286-N312 WeakPolarHBondContact CB-OD1 3.19Å; Y286-N312 WeakPolarHBondContact CD2-OD1 3.35Å; Y286-L314 HydrophobicContact CD1-CG 4.25Å | ||
| 287 | S | 91.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -146.2 | 162 | 171 | -78.8 | 0 | 0 | 0 | 0 | 109.2 | K279 M281 P289 N312 T313 D342 | K279-S287 PolarHBondContact O-OG 2.91Å; M281-S287 PolarHBondContact N-OG 2.9Å; S287-P289 WeakPolarHBondContact O-CD 3.44Å; S287-N312 CarbonylContact O-C 3.57Å; S287-N312 WeakPolarHBondContact O-CA 3.32Å; S287-N312 PolarHBondContact O-N 3.45Å; S287-N312 VanDerWaalsContact O-N 3.13Å; S287-T313 PolarHBondContact O-N 2.91Å; S287-D342 WeakPolarHBondContact CA-OD2 3.4Å; S287-D342 WeakPolarHBondContact CB-OD2 3.49Å; S287-D342 PolarHBondContact OG-OD2 2.72Å | ||
| 288 | D | 95.7 | Very high | 89.5 | Confident | 26 Ų | 26 | 39.2 Ų | 39.2 | 14% | 0.139 | 22% | 0.216 | C | C | . | . | trans | -105.2 | 66.7 | 169.7 | -74.7 | -9.9 | 0 | 0 | 0 | 110.9 | I309 K310 K311 N312 D342 Y343 | D288-I309 HydrophobicContact CB-CG2 4.15Å; D288-K310 CarbonylContact C-O 3.55Å; D288-K310 WeakPolarHBondContact CA-O 3.49Å; D288-K311 WeakPolarHBondContact OD1-CA 3.33Å; D288-N312 PolarHBondContact OD1-N 3.22Å; D288-D342 WeakPolarHBondContact CA-OD1 3.43Å; D288-D342 PolarHBondContact N-OD1 3.02Å; D288-Y343 WeakPolarHBondContact CB-O 3.32Å; D288-Y343 WeakPolarHBondContact O-CB 3.44Å; D288-Y343 PolarHBondContact O-N 2.81Å; D288-Y343 VanDerWaalsContact O-N 3.16Å | ||
| 289 | P | 97.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 139.4 | -166 | 29.1 | -40.3 | 0 | 0 | 0 | 114.7 | L278 S287 K310 T313 P316 Y318 V340 M341 I352 | L278-P289 HydrophobicContact CD1-CB 3.6Å; L278-P289 HydrophobicContact CD1-CG 3.89Å; S287-P289 WeakPolarHBondContact O-CD 3.44Å; P289-K310 WeakPolarHBondContact CD-O 3.12Å; P289-K310 VanDerWaalsContact N-O 3.12Å; P289-K310 PolarHBondContact O-N 3.14Å; P289-T313 VanDerWaalsContact CD-O 3.24Å; P289-T313 WeakPolarHBondContact CD-O 3.43Å; P289-T313 HydrophobicContact CG-CG2 4.03Å; P289-T313 WeakPolarHBondContact CG-O 3.32Å; P289-P316 HydrophobicContact CB-CG 4.1Å; P289-P316 HydrophobicContact CG-CB 3.81Å; P289-P316 HydrophobicContact CG-CG 3.54Å; P289-Y318 WeakPolarHBondContact CB-OH 2.99Å; P289-Y318 PolarHBondContact O-OH 3.47Å; P289-V340 HydrophobicContact CB-CG1 4.41Å; P289-M341 CarbonylContact C-O 3.56Å; P289-M341 VanDerWaalsContact CA-O 3.24Å; P289-M341 WeakPolarHBondContact CA-O 3.38Å; P289-I352 HydrophobicContact CB-CD1 4.37Å |
| 290 | Y | 98.4 | Very high | 89.1 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.8 | 162.9 | 71.2 | -79.7 | 0 | 0 | 0 | 111.4 | K292 K306 I309 M341 N349 | Y290-K292 HydrophobicContact CE2-CB 4.5Å; Y290-K292 PolarHBondContact OH-NZ 2.86Å; Y290-K306 HydrophobicContact CD2-CB 4.23Å; Y290-K306 HydrophobicContact CD2-CD 4.47Å; Y290-K306 HydrophobicContact CE2-CD 4.49Å; Y290-I309 HydrophobicContact CD1-CG1 4.05Å; Y290-I309 HydrophobicContact CG-CG1 4.04Å; Y290-M341 HydrophobicContact CD1-CB 3.78Å; Y290-M341 HydrophobicContact CD2-CB 4.25Å; Y290-M341 HydrophobicContact CD2-CG 4.36Å; Y290-M341 HydrophobicContact CE1-CB 3.28Å; Y290-M341 HydrophobicContact CE1-CG 4.12Å; Y290-M341 HydrophobicContact CE2-CB 3.81Å; Y290-M341 HydrophobicContact CE2-CG 3.73Å; Y290-M341 HydrophobicContact CG-CB 4.23Å; Y290-M341 PolarHBondContact N-O 2.9Å; Y290-M341 PolarHBondContact O-N 3.49Å; Y290-M341 WeakPolarHBondContact OH-CB 3.32Å; Y290-N349 PolarHBondContact OH-ND2 2.87Å; Y290-N349 VanDerWaalsContact OH-ND2 3.17Å |
| 291 | V | 98.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.4 | -178.8 | -174.5 | 0 | 0 | 0 | 0 | 110 | I255 V272 V293 K306 T307 Y318 I338 V340 | I255-V291 HydrophobicContact CD1-CG1 3.94Å; I255-V291 HydrophobicContact CD1-CG2 3.97Å; V272-V291 HydrophobicContact CG1-CB 4.19Å; V272-V291 HydrophobicContact CG1-CG1 4.44Å; V272-V291 HydrophobicContact CG1-CG2 3.81Å; V272-V291 HydrophobicContact CG2-CB 4.36Å; V272-V291 HydrophobicContact CG2-CG1 4.12Å; V291-V293 HydrophobicContact CG1-CG2 4.18Å; V291-K306 CarbonylContact O-C 3.17Å; V291-K306 WeakPolarHBondContact O-CA 3.39Å; V291-T307 HydrophobicContact CB-CG2 3.94Å; V291-T307 PolarHBondContact N-OG1 3.28Å; V291-T307 PolarHBondContact O-N 2.88Å; V291-Y318 HydrophobicContact CG2-CD2 4.42Å; V291-Y318 HydrophobicContact CG2-CE2 3.84Å; V291-I338 HydrophobicContact CG1-CG2 3.56Å; V291-V340 HydrophobicContact CG2-CG2 4.25Å |
| 292 | K | 98.2 | Very high | 89.9 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 14% | 0.139 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 120.2 | 178.2 | 178.5 | -174.5 | -69.5 | 155.5 | 0 | 108.6 | Y290 K304 K305 S339 M341 | Y290-K292 HydrophobicContact CE2-CB 4.5Å; Y290-K292 PolarHBondContact OH-NZ 2.86Å; K292-K304 HydrophobicContact CD-CD 4.18Å; K292-K304 HydrophobicContact CG-CD 4.16Å; K292-K304 HydrophobicContact CG-CG 4.12Å; K292-K305 WeakPolarHBondContact CA-O 3.44Å; K292-S339 PolarHBondContact N-O 2.82Å; K292-S339 PolarHBondContact O-N 2.79Å; K292-M341 HydrophobicContact CB-CG 4.15Å; K292-M341 HydrophobicContact CD-SD 4.33Å; K292-M341 PolarHBondContact NZ-SD 3.31Å |
| 293 | V | 98.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122.1 | 179.8 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | L270 V291 K304 K305 I322 F324 L336 H337 I338 | L270-V293 HydrophobicContact CD1-CG1 4.12Å; L270-V293 HydrophobicContact CD1-CG2 4.46Å; L270-V293 HydrophobicContact CD2-CG2 4.17Å; V291-V293 HydrophobicContact CG1-CG2 4.18Å; V293-K304 WeakPolarHBondContact O-CA 3.13Å; V293-K305 PolarHBondContact N-O 3.47Å; V293-K305 PolarHBondContact O-N 3.24Å; V293-I322 HydrophobicContact CB-CD1 4.07Å; V293-I322 HydrophobicContact CB-CG2 4.48Å; V293-I322 HydrophobicContact CG2-CD1 3.6Å; V293-F324 HydrophobicContact CB-CZ 4.34Å; V293-F324 HydrophobicContact CG1-CE2 3.75Å; V293-F324 HydrophobicContact CG1-CZ 3.83Å; V293-L336 HydrophobicContact CG1-CD2 4.3Å; V293-H337 CarbonylContact C-O 3.5Å; V293-H337 WeakPolarHBondContact CA-O 3.35Å; V293-I338 HydrophobicContact CG1-CG1 4.46Å; V293-I338 HydrophobicContact CG2-CG1 4.41Å; V293-I338 HydrophobicContact CG2-CG2 4.44Å |
| 294 | S | 97.1 | Very high | 91.9 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 125.3 | 178.5 | -55.6 | 0 | 0 | 0 | 0 | 110.1 | K303 L336 H337 | S294-K303 CarbonylContact C-O 3.5Å; S294-K303 VanDerWaalsContact CA-O 3.32Å; S294-K303 WeakPolarHBondContact CA-O 3.23Å; S294-L336 WeakPolarHBondContact O-CA 3.42Å; S294-H337 PolarHBondContact N-O 2.82Å; S294-H337 PolarHBondContact O-N 2.84Å |
| 295 | L | 96.4 | Very high | 93.1 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 121.5 | 170.1 | -176.6 | 70.6 | 0 | 0 | 0 | 108.9 | L302 K303 F324 I326 V334 L336 | L295-L302 HydrophobicContact CD2-CB 4.33Å; L295-L302 PolarHBondContact O-N 3.44Å; L295-K303 HydrophobicContact CB-CB 4.14Å; L295-K303 HydrophobicContact CD2-CB 4.4Å; L295-K303 PolarHBondContact N-O 3.5Å; L295-K303 PolarHBondContact O-N 3.23Å; L295-F324 HydrophobicContact CB-CD1 3.94Å; L295-F324 HydrophobicContact CB-CE1 3.89Å; L295-F324 HydrophobicContact CB-CZ 4.48Å; L295-F324 HydrophobicContact CD1-CG 4.46Å; L295-F324 HydrophobicContact CD2-CB 4.42Å; L295-F324 HydrophobicContact CD2-CD1 4.03Å; L295-F324 HydrophobicContact CD2-CG 4.45Å; L295-F324 HydrophobicContact CG-CD1 4.43Å; L295-I326 HydrophobicContact CD1-CD1 3.75Å; L295-I326 HydrophobicContact CD1-CG1 4.25Å; L295-I326 HydrophobicContact CD2-CG1 4.46Å; L295-V334 HydrophobicContact CD1-CG1 3.28Å; L295-V334 HydrophobicContact CG-CG1 4.33Å; L295-L336 HydrophobicContact CB-CD2 4.39Å; L295-L336 HydrophobicContact CD1-CD2 3.63Å |
| 296 | I | 94.7 | Very high | 94.1 | Very high | 15 Ų | 15 | 60.6 Ų | 60.6 | 8% | 0.077 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.5 | 178.1 | -48.1 | -58 | 0 | 0 | 0 | 108.2 | R300 R301 V334 S335 H337 | I296-R300 CarbonylContact C-O 3.56Å; I296-R300 WeakPolarHBondContact CA-O 3.13Å; I296-R301 HydrophobicContact CD1-CB 3.64Å; I296-R301 HydrophobicContact CD1-CG 3.84Å; I296-V334 CarbonylContact O-C 3.56Å; I296-V334 VanDerWaalsContact O-CA 3.3Å; I296-V334 WeakPolarHBondContact O-CA 3.45Å; I296-S335 PolarHBondContact N-O 3.11Å; I296-S335 PolarHBondContact O-N 3.08Å; I296-H337 HydrophobicContact CG1-CB 4.29Å |
| 297 | C | 92.3 | Very high | 94.7 | Very high | 24 Ų | 24 | 55.7 Ų | 55.7 | 16% | 0.162 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 124.8 | 173 | -170.2 | 0 | 0 | 0 | 0 | 108.4 | G299 R300 L302 H333 V334 | C297-G299 PolarHBondContact O-N 2.94Å; C297-R300 PolarHBondContact N-O 3.17Å; C297-R300 PolarHBondContact O-N 3.15Å; C297-L302 HydrophobicContact CB-CD1 3.43Å; C297-L302 VanDerWaalsContact CB-CD1 3.43Å; C297-L302 HydrophobicContact CB-CD2 4.49Å; C297-L302 HydrophobicContact CB-CG 3.84Å; C297-H333 WeakPolarHBondContact CA-O 3.04Å; C297-V334 HydrophobicContact CB-CG2 4.2Å |
| 298 | D | 87.7 | Confident | 95 | Very high | 113 Ų | 113 | 57.9 Ų | 57.9 | 60% | 0.604 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.3 | 42.6 | -176.6 | -56.4 | -51.9 | 0 | 0 | 0 | 112.7 | R300 H333 | D298-R300 VanDerWaalsContact C-N 3.25Å; D298-R300 PolarHBondContact O-N 3.01Å; D298-H333 PolarHBondContact N-O 3.36Å; D298-H333 VanDerWaalsContact N-O 3.13Å; D298-H333 IonicContact OD1-CG 3.36Å; D298-H333 IonicContact OD1-ND1 3.7Å; D298-H333 PolarHBondContact OD1-ND1 2.86Å; D298-H333 IonicContact OD2-ND1 3.86Å |
| 299 | G | 83.8 | Confident | 95.1 | Very high | 33 Ų | 33 | 59.5 Ų | 59.5 | 34% | 0.34 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -7.2 | 180 | 0 | 0 | 0 | 0 | 0 | 117.2 | C297 | C297-G299 PolarHBondContact O-N 2.94Š|
| 300 | R | 88.6 | Confident | 95.1 | Very high | 202 Ų | 202 | 62.8 Ų | 62.8 | 76% | 0.762 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 132.4 | 178.2 | -62.9 | -175.5 | -179.6 | -166.4 | 1.1 | 110.6 | I296 C297 D298 L302 | I296-R300 CarbonylContact C-O 3.56Å; I296-R300 WeakPolarHBondContact CA-O 3.13Å; C297-R300 PolarHBondContact N-O 3.17Å; C297-R300 PolarHBondContact O-N 3.15Å; D298-R300 VanDerWaalsContact C-N 3.25Å; D298-R300 PolarHBondContact O-N 3.01Å; R300-L302 PolarHBondContact O-N 3.02Å |
| 301 | R | 92.9 | Very high | 95 | Very high | 164 Ų | 164 | 70 Ų | 70 | 62% | 0.619 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 113.4 | 175.7 | -176.5 | 170.9 | 67.1 | -159.8 | -2.9 | 110.4 | I296 | I296-R301 HydrophobicContact CD1-CB 3.64Å; I296-R301 HydrophobicContact CD1-CG 3.84Å |
| 302 | L | 92.6 | Very high | 94.7 | Very high | 113 Ų | 113 | 74 Ų | 74 | 59% | 0.592 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -47.9 | -179.1 | -62.6 | -171.9 | 0 | 0 | 0 | 113 | L295 C297 R300 | L295-L302 HydrophobicContact CD2-CB 4.33Å; L295-L302 PolarHBondContact O-N 3.44Å; C297-L302 HydrophobicContact CB-CD1 3.43Å; C297-L302 VanDerWaalsContact CB-CD1 3.43Å; C297-L302 HydrophobicContact CB-CD2 4.49Å; C297-L302 HydrophobicContact CB-CG 3.84Å; R300-L302 PolarHBondContact O-N 3.02Å |
| 303 | K | 94.6 | Very high | 94.5 | Very high | 95 Ų | 95 | 74.2 Ų | 74.2 | 41% | 0.413 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 149.4 | -174 | -158.2 | 162.9 | -170 | 170.8 | 0 | 110.6 | S294 L295 F324 | S294-K303 CarbonylContact C-O 3.5Å; S294-K303 VanDerWaalsContact CA-O 3.32Å; S294-K303 WeakPolarHBondContact CA-O 3.23Å; L295-K303 HydrophobicContact CB-CB 4.14Å; L295-K303 HydrophobicContact CD2-CB 4.4Å; L295-K303 PolarHBondContact N-O 3.5Å; L295-K303 PolarHBondContact O-N 3.23Å; K303-F324 HydrophobicContact CB-CD1 4.27Å; K303-F324 HydrophobicContact CB-CE1 4.09Å; K303-F324 HydrophobicContact CD-CD1 4.23Å; K303-F324 HydrophobicContact CD-CE1 4.47Å; K303-F324 HydrophobicContact CG-CD1 4.45Å; K303-F324 HydrophobicContact CG-CE1 4.24Å |
| 304 | K | 96.1 | Very high | 94.2 | Very high | 105 Ų | 105 | 76 Ų | 76 | 46% | 0.457 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 132.1 | 178.4 | 175.4 | 174.5 | 156.4 | -180 | 0 | 109.8 | K292 V293 | K292-K304 HydrophobicContact CD-CD 4.18Å; K292-K304 HydrophobicContact CG-CD 4.16Å; K292-K304 HydrophobicContact CG-CG 4.12Å; V293-K304 WeakPolarHBondContact O-CA 3.13Å |
| 305 | K | 97.9 | Very high | 94.1 | Very high | 72 Ų | 72 | 79.7 Ų | 79.7 | 31% | 0.313 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 159.4 | 176.7 | -68.9 | -176.1 | 170.9 | -170.7 | 0 | 109.2 | K292 V293 I322 I323 F324 | K292-K305 WeakPolarHBondContact CA-O 3.44Å; V293-K305 PolarHBondContact N-O 3.47Å; V293-K305 PolarHBondContact O-N 3.24Å; K305-I322 HydrophobicContact CB-CG2 3.66Å; K305-I322 HydrophobicContact CD-CG2 3.55Å; K305-I322 HydrophobicContact CG-CG2 4.17Å; K305-I323 PolarHBondContact NZ-O 2.89Å; K305-F324 HydrophobicContact CD-CE1 4.28Å; K305-F324 HydrophobicContact CD-CZ 4.46Å; K305-F324 HydrophobicContact CG-CE1 4.42Å |
| 306 | K | 97.3 | Very high | 94.2 | Very high | 141 Ų | 141 | 79.3 Ų | 79.3 | 61% | 0.613 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 154.5 | 178.5 | 65.1 | 175.5 | -176.3 | 173.8 | 0 | 110.8 | Y290 V291 | Y290-K306 HydrophobicContact CD2-CB 4.23Å; Y290-K306 HydrophobicContact CD2-CD 4.47Å; Y290-K306 HydrophobicContact CE2-CD 4.49Å; V291-K306 CarbonylContact O-C 3.17Å; V291-K306 WeakPolarHBondContact O-CA 3.39Å |
| 307 | T | 98.5 | Very high | 94.3 | Very high | 6 Ų | 6 | 82 Ų | 82 | 4% | 0.037 | 40% | 0.397 | C | S | . | . | trans | -82.1 | 176.7 | 172.1 | 63.5 | 0 | 0 | 0 | 0 | 111.7 | V272 V291 Y318 E320 I322 | V272-T307 HydrophobicContact CB-CG2 4.02Å; V272-T307 HydrophobicContact CG1-CG2 4.29Å; V272-T307 HydrophobicContact CG2-CG2 3.87Å; V291-T307 HydrophobicContact CB-CG2 3.94Å; V291-T307 PolarHBondContact N-OG1 3.28Å; V291-T307 PolarHBondContact O-N 2.88Å; T307-Y318 HydrophobicContact CG2-CD1 4.31Å; T307-Y318 WeakPolarHBondContact OG1-CE1 3.41Å; T307-E320 WeakPolarHBondContact CA-OE2 3.34Å; T307-E320 WeakPolarHBondContact CB-OE2 3.24Å; T307-E320 HydrophobicContact CG2-CB 4.23Å; T307-I322 HydrophobicContact CG2-CD1 4.18Å | ||
| 308 | S | 98.3 | Very high | 94.6 | Very high | 46 Ų | 46 | 81.6 Ų | 81.6 | 32% | 0.322 | 39% | 0.392 | S | S | . | . | trans | -59.9 | 156.5 | 162 | 71.3 | 0 | 0 | 0 | 0 | 111.6 | K310 Y318 E320 | S308-K310 VanDerWaalsContact OG-CE 3.31Å; S308-K310 WeakPolarHBondContact OG-CE 3.04Å; S308-K310 PolarHBondContact OG-NZ 3.22Å; S308-Y318 WeakPolarHBondContact O-CE1 3.49Å; S308-E320 VanDerWaalsContact CB-OE1 3.23Å; S308-E320 WeakPolarHBondContact CB-OE1 3.43Å; S308-E320 PolarHBondContact N-OE1 2.91Å; S308-E320 VanDerWaalsContact N-OE1 3.08Å; S308-E320 PolarHBondContact N-OE2 3.33Å; S308-E320 PolarHBondContact OG-OE1 3.23Å | ||
| 309 | I | 97.9 | Very high | 95.1 | Very high | 60 Ų | 60 | 81.3 Ų | 81.3 | 31% | 0.308 | 39% | 0.39 | S | S | . | . | trans | -90.4 | 131.3 | 174.3 | -62 | 160 | 0 | 0 | 0 | 107.7 | D288 Y290 Y343 | D288-I309 HydrophobicContact CB-CG2 4.15Å; Y290-I309 HydrophobicContact CD1-CG1 4.05Å; Y290-I309 HydrophobicContact CG-CG1 4.04Å; I309-Y343 HydrophobicContact CD1-CD1 4.18Å; I309-Y343 HydrophobicContact CD1-CD2 3.85Å; I309-Y343 HydrophobicContact CD1-CE2 4.37Å; I309-Y343 HydrophobicContact CD1-CG 3.75Å; I309-Y343 HydrophobicContact CG1-CG 4.5Å; I309-Y343 HydrophobicContact CG2-CD1 4.29Å; I309-Y343 HydrophobicContact CG2-CG 4.29Å | ||
| 310 | K | 97.8 | Very high | 95.8 | Very high | 70 Ų | 70 | 82.2 Ų | 82.2 | 30% | 0.304 | 39% | 0.385 | S | S | . | . | trans | -107 | 125 | 172.8 | -58.2 | -58.7 | 178.8 | -179.4 | 0 | 107.9 | D288 P289 S308 T313 P316 T317 Y318 | D288-K310 CarbonylContact C-O 3.55Å; D288-K310 WeakPolarHBondContact CA-O 3.49Å; P289-K310 WeakPolarHBondContact CD-O 3.12Å; P289-K310 VanDerWaalsContact N-O 3.12Å; P289-K310 PolarHBondContact O-N 3.14Å; S308-K310 VanDerWaalsContact OG-CE 3.31Å; S308-K310 WeakPolarHBondContact OG-CE 3.04Å; S308-K310 PolarHBondContact OG-NZ 3.22Å; K310-T313 HydrophobicContact CB-CG2 3.76Å; K310-P316 HydrophobicContact CB-CB 3.89Å; K310-P316 HydrophobicContact CG-CB 3.87Å; K310-T317 WeakPolarHBondContact CE-O 3.34Å; K310-Y318 HydrophobicContact CG-CD1 4.15Å; K310-Y318 HydrophobicContact CG-CE1 3.7Å | ||
| 311 | K | 95.8 | Very high | 96.2 | Very high | 160 Ų | 160 | 75.7 Ų | 75.7 | 70% | 0.696 | 38% | 0.375 | S | S | * | . | trans | -86.4 | 146.3 | -173.9 | -63.8 | -171.3 | 175.5 | -171.3 | 0 | 112.6 | D288 T313 | D288-K311 WeakPolarHBondContact OD1-CA 3.33Å; K311-T313 PolarHBondContact O-N 3.04Å | ||
| 312 | N | 91.9 | Very high | 96.5 | Very high | 86 Ų | 86 | 68.3 Ų | 68.3 | 46% | 0.46 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 48.3 | 51.9 | 167.7 | -165.8 | 61.5 | 0 | 0 | 0 | 113 | Y286 S287 D288 | Y286-N312 WeakPolarHBondContact CB-OD1 3.19Å; Y286-N312 WeakPolarHBondContact CD2-OD1 3.35Å; S287-N312 CarbonylContact O-C 3.57Å; S287-N312 WeakPolarHBondContact O-CA 3.32Å; S287-N312 PolarHBondContact O-N 3.45Å; S287-N312 VanDerWaalsContact O-N 3.13Å; D288-N312 PolarHBondContact OD1-N 3.22Å |
| 313 | T | 93.7 | Very high | 96.7 | Very high | 35 Ų | 35 | 66 Ų | 66 | 22% | 0.215 | 34% | 0.335 | C | S | . | . | trans | -149 | 139.9 | -177.3 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | S287 P289 K310 K311 N315 P316 | S287-T313 PolarHBondContact O-N 2.91Å; P289-T313 VanDerWaalsContact CD-O 3.24Å; P289-T313 WeakPolarHBondContact CD-O 3.43Å; P289-T313 HydrophobicContact CG-CG2 4.03Å; P289-T313 WeakPolarHBondContact CG-O 3.32Å; K310-T313 HydrophobicContact CB-CG2 3.76Å; K311-T313 PolarHBondContact O-N 3.04Å; T313-N315 PolarHBondContact OG1-N 3.37Å; T313-P316 HydrophobicContact CG2-CB 3.95Å | ||
| 314 | L | 91.8 | Very high | 96.8 | Very high | 37 Ų | 37 | 61.5 Ų | 61.5 | 19% | 0.194 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -101 | -1.3 | 172.8 | -54.9 | -178.7 | 0 | 0 | 0 | 112.7 | N277 L278 A280 Y286 P316 | N277-L314 PolarHBondContact N-O 2.87Å; L278-L314 HydrophobicContact CB-CB 4.33Å; L278-L314 HydrophobicContact CB-CD2 4.41Å; L278-L314 WeakPolarHBondContact CB-O 3.45Å; L278-L314 WeakPolarHBondContact CG-O 3.23Å; L278-L314 PolarHBondContact N-O 3.32Å; L278-L314 WeakPolarHBondContact O-CD2 3.37Å; A280-L314 HydrophobicContact CB-CD1 4.23Å; A280-L314 HydrophobicContact CB-CD2 4.07Å; Y286-L314 HydrophobicContact CD1-CG 4.25Å; L314-P316 VanDerWaalsContact C-CD 3.43Å |
| 315 | N | 95.3 | Very high | 96.8 | Very high | 86 Ų | 86 | 61.5 Ų | 61.5 | 46% | 0.46 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -132.6 | 55.9 | -178.9 | -58.7 | -78.7 | 0 | 0 | 0 | 111.1 | C275 R276 N277 T313 | C275-N315 CarbonylContact O-C 3.55Å; C275-N315 VanDerWaalsContact O-CA 3.31Å; C275-N315 WeakPolarHBondContact O-CA 3.47Å; R276-N315 WeakPolarHBondContact CA-OD1 3.46Å; R276-N315 WeakPolarHBondContact CB-OD1 3.31Å; N277-N315 PolarHBondContact N-OD1 3.28Å; T313-N315 PolarHBondContact OG1-N 3.37Å |
| 316 | P | 97.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | trans | -66.9 | 143.5 | -175.8 | 30.8 | -39 | 0 | 0 | 0 | 112 | K274 C275 L278 P289 K310 T313 L314 Y318 | K274-P316 CarbonylContact C-O 3.37Å; K274-P316 WeakPolarHBondContact CA-O 3.47Å; K274-P316 VanDerWaalsContact CB-O 3.3Å; K274-P316 WeakPolarHBondContact CB-O 3.48Å; C275-P316 HydrophobicContact CB-CG 3.8Å; C275-P316 PolarHBondContact N-O 3.42Å; L278-P316 HydrophobicContact CD1-CG 3.76Å; P289-P316 HydrophobicContact CB-CG 4.1Å; P289-P316 HydrophobicContact CG-CB 3.81Å; P289-P316 HydrophobicContact CG-CG 3.54Å; K310-P316 HydrophobicContact CB-CB 3.89Å; K310-P316 HydrophobicContact CG-CB 3.87Å; T313-P316 HydrophobicContact CG2-CB 3.95Å; L314-P316 VanDerWaalsContact C-CD 3.43Å; P316-Y318 HydrophobicContact CB-CD2 4.48Å; P316-Y318 HydrophobicContact CB-CE1 4.43Å; P316-Y318 HydrophobicContact CB-CE2 3.69Å; P316-Y318 HydrophobicContact CG-CE2 3.61Å; P316-Y318 WeakPolarHBondContact CG-OH 3.45Å | ||
| 317 | T | 98.4 | Very high | 96.6 | Very high | 72 Ų | 72 | 54.9 Ų | 54.9 | 44% | 0.442 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127.3 | 168.7 | -61.3 | 0 | 0 | 0 | 0 | 109.3 | K274 K310 N319 | K274-T317 HydrophobicContact CB-CG2 4.41Å; K310-T317 WeakPolarHBondContact CE-O 3.34Å; T317-N319 WeakPolarHBondContact CG2-ND2 3.4Å |
| 318 | Y | 98.3 | Very high | 96.3 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 6% | 0.055 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -57.4 | -175.2 | -60.3 | -82.4 | 0 | 0 | 0 | 111.5 | V272 I273 P289 V291 T307 S308 K310 P316 E320 | V272-Y318 HydrophobicContact CG1-CD2 3.59Å; V272-Y318 HydrophobicContact CG1-CE2 4.29Å; V272-Y318 HydrophobicContact CG1-CG 3.98Å; V272-Y318 WeakPolarHBondContact O-CB 3.15Å; I273-Y318 PolarHBondContact O-N 2.91Å; P289-Y318 WeakPolarHBondContact CB-OH 2.99Å; P289-Y318 PolarHBondContact O-OH 3.47Å; V291-Y318 HydrophobicContact CG2-CD2 4.42Å; V291-Y318 HydrophobicContact CG2-CE2 3.84Å; T307-Y318 HydrophobicContact CG2-CD1 4.31Å; T307-Y318 WeakPolarHBondContact OG1-CE1 3.41Å; S308-Y318 WeakPolarHBondContact O-CE1 3.49Å; K310-Y318 HydrophobicContact CG-CD1 4.15Å; K310-Y318 HydrophobicContact CG-CE1 3.7Å; P316-Y318 HydrophobicContact CB-CD2 4.48Å; P316-Y318 HydrophobicContact CB-CE1 4.43Å; P316-Y318 HydrophobicContact CB-CE2 3.69Å; P316-Y318 HydrophobicContact CG-CE2 3.61Å; P316-Y318 WeakPolarHBondContact CG-OH 3.45Å; Y318-E320 PolarHBondContact O-N 3.07Å |
| 319 | N | 97.9 | Very high | 96 | Very high | 108 Ų | 108 | 62.6 Ų | 62.6 | 58% | 0.578 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52 | 39.3 | -168.9 | -57.3 | -43.4 | 0 | 0 | 0 | 113 | V272 I273 T317 | V272-N319 CarbonylContact O-C 3.5Å; V272-N319 VanDerWaalsContact O-CA 3.25Å; V272-N319 WeakPolarHBondContact O-CA 3.21Å; V272-N319 PolarHBondContact O-N 3.17Å; I273-N319 PolarHBondContact O-N 3.08Å; I273-N319 VanDerWaalsContact O-N 3.11Å; T317-N319 WeakPolarHBondContact CG2-ND2 3.4Å |
| 320 | E | 98.5 | Very high | 95.7 | Very high | 51 Ų | 51 | 61.9 Ų | 61.9 | 24% | 0.238 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.7 | -174.8 | -71.1 | 178.3 | -128 | 0 | 0 | 111.2 | T271 V272 T307 S308 Y318 | T271-E320 CarbonylContact C-O 3.43Å; T271-E320 WeakPolarHBondContact CA-O 3.23Å; V272-E320 PolarHBondContact N-O 3.29Å; V272-E320 PolarHBondContact O-N 3.42Å; T307-E320 WeakPolarHBondContact CA-OE2 3.34Å; T307-E320 WeakPolarHBondContact CB-OE2 3.24Å; T307-E320 HydrophobicContact CG2-CB 4.23Å; S308-E320 VanDerWaalsContact CB-OE1 3.23Å; S308-E320 WeakPolarHBondContact CB-OE1 3.43Å; S308-E320 PolarHBondContact N-OE1 2.91Å; S308-E320 VanDerWaalsContact N-OE1 3.08Å; S308-E320 PolarHBondContact N-OE2 3.33Å; S308-E320 PolarHBondContact OG-OE1 3.23Å; Y318-E320 PolarHBondContact O-N 3.07Å |
| 321 | A | 97.9 | Very high | 95.4 | Very high | 65 Ų | 65 | 59 Ų | 59 | 54% | 0.537 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 128.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T269 | T269-A321 HydrophobicContact CG2-CB 4.1Å |
| 322 | I | 97.9 | Very high | 95.2 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 5% | 0.046 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 114.2 | 177 | -61.1 | -179.7 | 0 | 0 | 0 | 108 | L270 V272 V293 K305 T307 F324 | L270-I322 PolarHBondContact N-O 3.33Å; L270-I322 PolarHBondContact O-N 3.45Å; V272-I322 HydrophobicContact CG2-CD1 4.2Å; V293-I322 HydrophobicContact CB-CD1 4.07Å; V293-I322 HydrophobicContact CB-CG2 4.48Å; V293-I322 HydrophobicContact CG2-CD1 3.6Å; K305-I322 HydrophobicContact CB-CG2 3.66Å; K305-I322 HydrophobicContact CD-CG2 3.55Å; K305-I322 HydrophobicContact CG-CG2 4.17Å; T307-I322 HydrophobicContact CG2-CD1 4.18Å; I322-F324 HydrophobicContact CG2-CD2 4.35Å; I322-F324 HydrophobicContact CG2-CE2 3.51Å; I322-F324 HydrophobicContact CG2-CZ 3.61Å |
| 323 | I | 97.4 | Very high | 95.1 | Very high | 66 Ų | 66 | 56.6 Ų | 56.6 | 34% | 0.338 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 135.6 | -174.1 | -56.5 | 170.8 | 0 | 0 | 0 | 110.8 | R267 L268 T269 K305 | R267-I323 HydrophobicContact CG-CG2 3.5Å; L268-I323 CarbonylContact O-C 3.21Å; L268-I323 WeakPolarHBondContact O-CA 3.27Å; T269-I323 HydrophobicContact CG2-CG1 4.21Å; K305-I323 PolarHBondContact NZ-O 2.89Å |
| 324 | F | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 140.1 | 171.2 | -60.7 | -78.6 | 0 | 0 | 0 | 110.3 | L268 V293 L295 K303 K305 I322 I326 L336 | L268-F324 PolarHBondContact N-O 3.38Å; L268-F324 PolarHBondContact O-N 3.43Å; V293-F324 HydrophobicContact CB-CZ 4.34Å; V293-F324 HydrophobicContact CG1-CE2 3.75Å; V293-F324 HydrophobicContact CG1-CZ 3.83Å; L295-F324 HydrophobicContact CB-CD1 3.94Å; L295-F324 HydrophobicContact CB-CE1 3.89Å; L295-F324 HydrophobicContact CB-CZ 4.48Å; L295-F324 HydrophobicContact CD1-CG 4.46Å; L295-F324 HydrophobicContact CD2-CB 4.42Å; L295-F324 HydrophobicContact CD2-CD1 4.03Å; L295-F324 HydrophobicContact CD2-CG 4.45Å; L295-F324 HydrophobicContact CG-CD1 4.43Å; K303-F324 HydrophobicContact CB-CD1 4.27Å; K303-F324 HydrophobicContact CB-CE1 4.09Å; K303-F324 HydrophobicContact CD-CD1 4.23Å; K303-F324 HydrophobicContact CD-CE1 4.47Å; K303-F324 HydrophobicContact CG-CD1 4.45Å; K303-F324 HydrophobicContact CG-CE1 4.24Å; K305-F324 HydrophobicContact CD-CE1 4.28Å; K305-F324 HydrophobicContact CD-CZ 4.46Å; K305-F324 HydrophobicContact CG-CE1 4.42Å; I322-F324 HydrophobicContact CG2-CD2 4.35Å; I322-F324 HydrophobicContact CG2-CE2 3.51Å; I322-F324 HydrophobicContact CG2-CZ 3.61Å; F324-I326 HydrophobicContact CB-CD1 4.01Å; F324-I326 HydrophobicContact CB-CG1 4.08Å; F324-L336 HydrophobicContact CD2-CD2 4.06Å; F324-L336 HydrophobicContact CE2-CD2 3.91Å; F324-L336 HydrophobicContact CZ-CD2 4.5Å |
| 325 | D | 96.1 | Very high | 95.3 | Very high | 104 Ų | 104 | 54.9 Ų | 54.9 | 56% | 0.556 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 110.7 | 173 | -50.2 | -58.4 | 0 | 0 | 0 | 107.3 | G266 | G266-D325 CarbonylContact O-C 3.52Å; G266-D325 VanDerWaalsContact O-CA 3.32Å; G266-D325 WeakPolarHBondContact O-CA 3.3Å |
| 326 | I | 94.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | trans | -131.4 | 106.5 | -175.5 | -59.1 | 167.9 | 0 | 0 | 0 | 107.6 | Y261 G266 L268 L295 F324 V334 | Y261-I326 HydrophobicContact CE2-CB 4.48Å; Y261-I326 WeakPolarHBondContact CE2-O 3.19Å; Y261-I326 PolarHBondContact OH-O 3.08Å; G266-I326 CarbonylContact C-O 3.52Å; G266-I326 WeakPolarHBondContact CA-O 3.44Å; G266-I326 CarbonylContact O-C 3.45Å; G266-I326 PolarHBondContact O-N 2.72Å; G266-I326 VanDerWaalsContact O-O 3.11Å; L268-I326 HydrophobicContact CB-CD1 3.69Å; L268-I326 HydrophobicContact CD2-CD1 3.44Å; L268-I326 VanDerWaalsContact CD2-CD1 3.44Å; L268-I326 HydrophobicContact CG-CD1 4.21Å; L295-I326 HydrophobicContact CD1-CD1 3.75Å; L295-I326 HydrophobicContact CD1-CG1 4.25Å; L295-I326 HydrophobicContact CD2-CG1 4.46Å; F324-I326 HydrophobicContact CB-CD1 4.01Å; F324-I326 HydrophobicContact CB-CG1 4.08Å; I326-V334 HydrophobicContact CD1-CG1 3.96Å; I326-V334 HydrophobicContact CG2-CG2 4.3Å | ||
| 327 | P | 94.5 | Very high | 95.3 | Very high | 71 Ų | 71 | 52.6 Ų | 52.6 | 46% | 0.461 | 30% | 0.298 | S | S | . | . | trans | -56.3 | 146.5 | 172.4 | -23.6 | 34.2 | 0 | 0 | 0 | 111.4 | D329 S330 | P327-D329 PolarHBondContact O-N 3.27Å; P327-S330 PolarHBondContact O-N 3.46Å | ||
| 328 | P | 92.6 | Very high | 95.3 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 43% | 0.429 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -53.5 | -41.2 | 178.8 | -27.5 | 35.4 | 0 | 0 | 0 | 113.1 | Y261 S330 M331 | Y261-P328 WeakPolarHBondContact OH-CA 3.28Å; P328-S330 PolarHBondContact O-N 3.15Å; P328-S330 VanDerWaalsContact O-N 3.14Å; P328-M331 VanDerWaalsContact O-CB 3.26Å; P328-M331 WeakPolarHBondContact O-CB 3.5Å; P328-M331 PolarHBondContact O-N 3.1Å; P328-M331 VanDerWaalsContact O-N 3.11Å |
| 329 | D | 92.5 | Very high | 95.3 | Very high | 148 Ų | 148 | 49.3 Ų | 49.3 | 79% | 0.791 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -64.5 | -19.4 | -178.5 | -53.6 | -21.9 | 0 | 0 | 0 | 113.5 | P327 | P327-D329 PolarHBondContact O-N 3.27Š|
| 330 | S | 91.4 | Very high | 95.3 | Very high | 44 Ų | 44 | 44.2 Ų | 44.2 | 31% | 0.308 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -97.3 | -3.8 | 179.7 | -52.5 | 0 | 0 | 0 | 0 | 113.3 | P327 P328 D332 H333 V334 | P327-S330 PolarHBondContact O-N 3.46Å; P328-S330 PolarHBondContact O-N 3.15Å; P328-S330 VanDerWaalsContact O-N 3.14Å; S330-D332 VanDerWaalsContact C-N 3.29Å; S330-D332 PolarHBondContact O-N 2.97Å; S330-H333 PolarHBondContact O-N 2.95Å; S330-H333 VanDerWaalsContact O-N 3.16Å; S330-V334 VanDerWaalsContact O-CG2 3.24Å; S330-V334 WeakPolarHBondContact O-CG2 3.47Å; S330-V334 PolarHBondContact O-N 2.84Å |
| 331 | M | 91.4 | Very high | 95.2 | Very high | 9 Ų | 9 | 42.1 Ų | 42.1 | 4% | 0.044 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -59.7 | -37.9 | -171 | -177.2 | 62.7 | 91.1 | 0 | 0 | 113 | Y261 P328 H333 V334 W369 M372 L373 | Y261-M331 HydrophobicContact CD1-CE 3.24Å; Y261-M331 HydrophobicContact CD2-CE 3.33Å; Y261-M331 HydrophobicContact CE1-CE 3.32Å; Y261-M331 HydrophobicContact CE2-CE 3.43Å; Y261-M331 VanDerWaalsContact CE2-CE 3.43Å; Y261-M331 HydrophobicContact CG-CE 3.25Å; Y261-M331 VanDerWaalsContact CZ-CE 3.42Å; P328-M331 VanDerWaalsContact O-CB 3.26Å; P328-M331 WeakPolarHBondContact O-CB 3.5Å; P328-M331 PolarHBondContact O-N 3.1Å; P328-M331 VanDerWaalsContact O-N 3.11Å; M331-H333 VanDerWaalsContact C-N 3.29Å; M331-H333 PolarHBondContact O-N 3.1Å; M331-V334 PolarHBondContact O-N 3Å; M331-W369 HydrophobicContact CG-CZ2 4.41Å; M331-W369 HydrophobicContact SD-CH2 4.03Å; M331-W369 HydrophobicContact SD-CZ2 3.24Å; M331-W369 WeakPolarHBondContact SD-CZ2 3.25Å; M331-M372 HydrophobicContact CE-CE 4.1Å; M331-M372 HydrophobicContact SD-CE 4.36Å; M331-L373 HydrophobicContact CE-CD2 3.55Å; M331-L373 HydrophobicContact CG-CD1 4.28Å; M331-L373 HydrophobicContact CG-CD2 3.71Å; M331-L373 HydrophobicContact SD-CD2 3.94Å |
| 332 | D | 90.9 | Very high | 95.1 | Very high | 101 Ų | 101 | 39 Ų | 39 | 54% | 0.54 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -72.9 | -22.6 | -177.7 | -66.3 | -31.1 | 0 | 0 | 0 | 113.4 | S330 S359 H360 | S330-D332 VanDerWaalsContact C-N 3.29Å; S330-D332 PolarHBondContact O-N 2.97Å; D332-S359 PolarHBondContact O-OG 3.02Å; D332-H360 PolarHBondContact O-CE1 2.86Å; D332-H360 PolarHBondContact O-ND1 2.77Å |
| 333 | H | 91.5 | Very high | 94.9 | Very high | 95 Ų | 95 | 42 Ų | 42 | 44% | 0.44 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -91.3 | -6.8 | -178.1 | -67.1 | -81.5 | 0 | 0 | 0 | 113.3 | C297 D298 S330 M331 | C297-H333 WeakPolarHBondContact CA-O 3.04Å; D298-H333 PolarHBondContact N-O 3.36Å; D298-H333 VanDerWaalsContact N-O 3.13Å; D298-H333 IonicContact OD1-CG 3.36Å; D298-H333 IonicContact OD1-ND1 3.7Å; D298-H333 PolarHBondContact OD1-ND1 2.86Å; D298-H333 IonicContact OD2-ND1 3.86Å; S330-H333 PolarHBondContact O-N 2.95Å; S330-H333 VanDerWaalsContact O-N 3.16Å; M331-H333 VanDerWaalsContact C-N 3.29Å; M331-H333 PolarHBondContact O-N 3.1Å |
| 334 | V | 94.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 143.1 | -169.9 | 169.1 | 0 | 0 | 0 | 0 | 111.9 | L295 I296 C297 I326 S330 M331 W369 | L295-V334 HydrophobicContact CD1-CG1 3.28Å; L295-V334 HydrophobicContact CG-CG1 4.33Å; I296-V334 CarbonylContact O-C 3.56Å; I296-V334 VanDerWaalsContact O-CA 3.3Å; I296-V334 WeakPolarHBondContact O-CA 3.45Å; C297-V334 HydrophobicContact CB-CG2 4.2Å; I326-V334 HydrophobicContact CD1-CG1 3.96Å; I326-V334 HydrophobicContact CG2-CG2 4.3Å; S330-V334 VanDerWaalsContact O-CG2 3.24Å; S330-V334 WeakPolarHBondContact O-CG2 3.47Å; S330-V334 PolarHBondContact O-N 2.84Å; M331-V334 PolarHBondContact O-N 3Å; V334-W369 HydrophobicContact CG1-CH2 4.47Å |
| 335 | S | 95.4 | Very high | 93.3 | Very high | 31 Ų | 31 | 47.2 Ų | 47.2 | 22% | 0.217 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 155.5 | 168.4 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | I296 V357 | I296-S335 PolarHBondContact N-O 3.11Å; I296-S335 PolarHBondContact O-N 3.08Å; S335-V357 CarbonylContact C-O 3.55Å; S335-V357 WeakPolarHBondContact CA-O 3.42Å; S335-V357 WeakPolarHBondContact CB-O 3.37Å |
| 336 | L | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.3 | 173.5 | -62.9 | -176.9 | 0 | 0 | 0 | 109.8 | L259 L268 L270 V293 S294 L295 F324 R356 V357 W369 | L259-L336 HydrophobicContact CD2-CD1 4.12Å; L268-L336 HydrophobicContact CD2-CD1 3.84Å; L268-L336 HydrophobicContact CD2-CG 4.36Å; L270-L336 HydrophobicContact CB-CD1 4.39Å; L270-L336 HydrophobicContact CD1-CD1 3.63Å; V293-L336 HydrophobicContact CG1-CD2 4.3Å; S294-L336 WeakPolarHBondContact O-CA 3.42Å; L295-L336 HydrophobicContact CB-CD2 4.39Å; L295-L336 HydrophobicContact CD1-CD2 3.63Å; F324-L336 HydrophobicContact CD2-CD2 4.06Å; F324-L336 HydrophobicContact CE2-CD2 3.91Å; F324-L336 HydrophobicContact CZ-CD2 4.5Å; L336-R356 WeakPolarHBondContact O-CA 3.24Å; L336-V357 PolarHBondContact N-O 3.31Å; L336-V357 PolarHBondContact O-N 3.1Å; L336-W369 HydrophobicContact CD1-CZ3 4.17Å; L336-W369 HydrophobicContact CG-CZ3 4.17Å |
| 337 | H | 95.9 | Very high | 91.1 | Very high | 42 Ų | 42 | 51.5 Ų | 51.5 | 19% | 0.194 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 114.4 | 166.7 | -92 | -150.9 | 0 | 0 | 0 | 109.8 | V293 S294 I296 R356 | V293-H337 CarbonylContact C-O 3.5Å; V293-H337 WeakPolarHBondContact CA-O 3.35Å; S294-H337 PolarHBondContact N-O 2.82Å; S294-H337 PolarHBondContact O-N 2.84Å; I296-H337 HydrophobicContact CG1-CB 4.29Å; H337-R356 PolarHBondContact CE1-NE 2.64Å; H337-R356 PolarHBondContact CE1-NH1 3.19Å; H337-R356 PolarHBondContact CE1-NH2 2.84Å; H337-R356 VanDerWaalsContact CE1-NH2 3.29Å; H337-R356 WeakPolarHBondContact NE2-CD 3.33Å; H337-R356 PolarHBondContact NE2-NE 3.06Å; H337-R356 PolarHBondContact NE2-NH1 3.26Å; H337-R356 VanDerWaalsContact NE2-NH1 3.15Å |
| 338 | I | 97.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126 | 178.1 | -53 | 170.2 | 0 | 0 | 0 | 107.3 | I255 F257 L270 V291 V293 V354 M355 V357 | I255-I338 HydrophobicContact CD1-CG2 3.88Å; F257-I338 HydrophobicContact CD1-CD1 3.94Å; F257-I338 HydrophobicContact CD2-CD1 4.23Å; F257-I338 HydrophobicContact CE1-CD1 3.62Å; F257-I338 HydrophobicContact CE2-CD1 3.93Å; F257-I338 HydrophobicContact CG-CD1 4.24Å; F257-I338 HydrophobicContact CZ-CD1 3.64Å; L270-I338 HydrophobicContact CD1-CD1 3.76Å; L270-I338 HydrophobicContact CD1-CG1 4.19Å; V291-I338 HydrophobicContact CG1-CG2 3.56Å; V293-I338 HydrophobicContact CG1-CG1 4.46Å; V293-I338 HydrophobicContact CG2-CG1 4.41Å; V293-I338 HydrophobicContact CG2-CG2 4.44Å; I338-V354 CarbonylContact O-C 3.55Å; I338-V354 VanDerWaalsContact O-CA 3.32Å; I338-V354 WeakPolarHBondContact O-CA 3.33Å; I338-M355 HydrophobicContact CB-CB 4.3Å; I338-M355 HydrophobicContact CD1-CG 4.46Å; I338-M355 PolarHBondContact N-O 3.09Å; I338-M355 PolarHBondContact O-N 3.13Å; I338-M355 VanDerWaalsContact O-O 3.13Å; I338-V357 HydrophobicContact CD1-CG2 3.66Å; I338-V357 HydrophobicContact CG1-CG2 4.49Å |
| 339 | S | 97.6 | Very high | 90.1 | Very high | 16 Ų | 16 | 56.3 Ų | 56.3 | 11% | 0.112 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 120.5 | 177.6 | -49.9 | 0 | 0 | 0 | 0 | 109.2 | K292 | K292-S339 PolarHBondContact N-O 2.82Å; K292-S339 PolarHBondContact O-N 2.79Å |
| 340 | V | 98 | Very high | 89.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 124.7 | 169.1 | -173.4 | 0 | 0 | 0 | 0 | 107 | I255 L278 P289 V291 I352 G353 L386 | I255-V340 HydrophobicContact CD1-CG2 4Å; L278-V340 HydrophobicContact CD1-CG1 4.01Å; L278-V340 HydrophobicContact CD2-CG1 4.1Å; P289-V340 HydrophobicContact CB-CG1 4.41Å; V291-V340 HydrophobicContact CG2-CG2 4.25Å; V340-I352 HydrophobicContact CB-CB 4.42Å; V340-I352 HydrophobicContact CG1-CB 4.28Å; V340-I352 HydrophobicContact CG1-CD1 4.19Å; V340-I352 PolarHBondContact O-N 3.27Å; V340-G353 PolarHBondContact N-O 3.28Å; V340-G353 PolarHBondContact O-N 3.49Å; V340-L386 HydrophobicContact CB-CD1 4.05Å; V340-L386 HydrophobicContact CB-CD2 4.44Å; V340-L386 HydrophobicContact CG2-CD1 3.76Å; V340-L386 HydrophobicContact CG2-CD2 3.65Å; V340-L386 HydrophobicContact CG2-CG 4.38Å |
| 341 | M | 97.3 | Very high | 90 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.039 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 147.4 | -171.8 | -53.8 | -73.2 | -41.9 | 0 | 0 | 108.8 | P289 Y290 K292 N349 E350 I351 | P289-M341 CarbonylContact C-O 3.56Å; P289-M341 VanDerWaalsContact CA-O 3.24Å; P289-M341 WeakPolarHBondContact CA-O 3.38Å; Y290-M341 HydrophobicContact CD1-CB 3.78Å; Y290-M341 HydrophobicContact CD2-CB 4.25Å; Y290-M341 HydrophobicContact CD2-CG 4.36Å; Y290-M341 HydrophobicContact CE1-CB 3.28Å; Y290-M341 HydrophobicContact CE1-CG 4.12Å; Y290-M341 HydrophobicContact CE2-CB 3.81Å; Y290-M341 HydrophobicContact CE2-CG 3.73Å; Y290-M341 HydrophobicContact CG-CB 4.23Å; Y290-M341 PolarHBondContact N-O 2.9Å; Y290-M341 PolarHBondContact O-N 3.49Å; Y290-M341 WeakPolarHBondContact OH-CB 3.32Å; K292-M341 HydrophobicContact CB-CG 4.15Å; K292-M341 HydrophobicContact CD-SD 4.33Å; K292-M341 PolarHBondContact NZ-SD 3.31Å; M341-N349 HydrophobicContact CE-CB 4.42Å; M341-E350 CarbonylContact C-O 3.21Å; M341-E350 WeakPolarHBondContact CA-O 3.41Å; M341-E350 WeakPolarHBondContact CE-O 3.42Å; M341-I351 HydrophobicContact CE-CB 4.44Å; M341-I351 HydrophobicContact CE-CG1 3.57Å; M341-I351 HydrophobicContact SD-CB 4.45Å; M341-I351 HydrophobicContact SD-CG1 3.67Å |
| 342 | D | 95.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 143.7 | 162.9 | -152.2 | -13.4 | 0 | 0 | 0 | 110.1 | M281 S287 D288 N349 E350 I352 | M281-D342 HydrophobicContact CB-CB 4.3Å; M281-D342 WeakPolarHBondContact CB-OD2 3.17Å; M281-D342 HydrophobicContact CG-CB 4.11Å; M281-D342 WeakPolarHBondContact CG-OD2 3.22Å; S287-D342 WeakPolarHBondContact CA-OD2 3.4Å; S287-D342 WeakPolarHBondContact CB-OD2 3.49Å; S287-D342 PolarHBondContact OG-OD2 2.72Å; D288-D342 WeakPolarHBondContact CA-OD1 3.43Å; D288-D342 PolarHBondContact N-OD1 3.02Å; D342-N349 WeakPolarHBondContact O-CA 3.38Å; D342-N349 VanDerWaalsContact O-CB 3.23Å; D342-N349 WeakPolarHBondContact O-CB 3.49Å; D342-E350 PolarHBondContact N-O 3.41Å; D342-E350 PolarHBondContact O-N 2.98Å; D342-I352 HydrophobicContact CB-CD1 4.17Å; D342-I352 HydrophobicContact CB-CG1 4.12Å |
| 343 | Y | 93.6 | Very high | 90.2 | Very high | 72 Ų | 72 | 49.4 Ų | 49.4 | 28% | 0.282 | 27% | 0.268 | S | S | . | . | trans | -106.1 | 113.3 | 176 | 171.6 | -99.3 | 0 | 0 | 0 | 110 | D288 I309 | D288-Y343 WeakPolarHBondContact CB-O 3.32Å; D288-Y343 WeakPolarHBondContact O-CB 3.44Å; D288-Y343 PolarHBondContact O-N 2.81Å; D288-Y343 VanDerWaalsContact O-N 3.16Å; I309-Y343 HydrophobicContact CD1-CD1 4.18Å; I309-Y343 HydrophobicContact CD1-CD2 3.85Å; I309-Y343 HydrophobicContact CD1-CE2 4.37Å; I309-Y343 HydrophobicContact CD1-CG 3.75Å; I309-Y343 HydrophobicContact CG1-CG 4.5Å; I309-Y343 HydrophobicContact CG2-CD1 4.29Å; I309-Y343 HydrophobicContact CG2-CG 4.29Å | ||
| 344 | D | 84.1 | Confident | 90.4 | Very high | 31 Ų | 31 | 45.6 Ų | 45.6 | 17% | 0.166 | 25% | 0.251 | C | S | . | . | trans | -95.4 | 127.3 | 176.5 | -61.6 | -76.1 | 0 | 0 | 0 | 110.4 | V346 N349 | D344-V346 PolarHBondContact O-N 2.79Å; D344-N349 PolarHBondContact N-OD1 2.88Å; D344-N349 WeakPolarHBondContact OD2-CA 3.45Å | ||
| 345 | L | 76.2 | Confident | 90.3 | Very high | 144 Ų | 144 | 46 Ų | 46 | 75% | 0.754 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -64.4 | -34.9 | 174 | -176.5 | 64.8 | 0 | 0 | 0 | 111.5 | ||
| 346 | V | 73.1 | Confident | 90.2 | Very high | 137 Ų | 137 | 47.7 Ų | 47.7 | 83% | 0.83 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -130.3 | 108.9 | 179.9 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | D344 | D344-V346 PolarHBondContact O-N 2.79Š|
| 347 | G | 73 | Confident | 90.1 | Very high | 60 Ų | 60 | 47.7 Ų | 47.7 | 62% | 0.619 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 126.8 | -155.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 348 | H | 78.1 | Confident | 90.1 | Very high | 175 Ų | 175 | 45.7 Ų | 45.7 | 81% | 0.81 | 25% | 0.245 | S | C | * | . | trans | -112 | 123.4 | -179.9 | -68.9 | -67.2 | 0 | 0 | 0 | 110.5 | E350 | H348-E350 PolarHBondContact O-N 2.84Š| ||
| 349 | N | 86.7 | Confident | 89.6 | Confident | 64 Ų | 64 | 46.9 Ų | 46.9 | 34% | 0.342 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -46.8 | 121.9 | 174.3 | -62.5 | -2.5 | 0 | 0 | 0 | 112.7 | Y290 M341 D342 D344 | Y290-N349 PolarHBondContact OH-ND2 2.87Å; Y290-N349 VanDerWaalsContact OH-ND2 3.17Å; M341-N349 HydrophobicContact CE-CB 4.42Å; D342-N349 WeakPolarHBondContact O-CA 3.38Å; D342-N349 VanDerWaalsContact O-CB 3.23Å; D342-N349 WeakPolarHBondContact O-CB 3.49Å; D344-N349 PolarHBondContact N-OD1 2.88Å; D344-N349 WeakPolarHBondContact OD2-CA 3.45Å |
| 350 | E | 89.1 | Confident | 88.9 | Confident | 74 Ų | 74 | 53 Ų | 53 | 35% | 0.346 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -90.7 | 151.2 | -178.5 | -59.3 | -162.7 | 117 | 0 | 0 | 113.1 | R214 M281 M341 D342 H348 | R214-E350 IonicContact CZ-OE2 3.46Å; R214-E350 IonicContact NH2-OE1 3.82Å; R214-E350 IonicContact NH2-OE2 2.64Å; R214-E350 PolarHBondContact NH2-OE2 3.37Å; M281-E350 HydrophobicContact CE-CB 3.46Å; M281-E350 VanDerWaalsContact CE-CB 3.46Å; M281-E350 HydrophobicContact CE-CG 4.45Å; M341-E350 CarbonylContact C-O 3.21Å; M341-E350 WeakPolarHBondContact CA-O 3.41Å; M341-E350 WeakPolarHBondContact CE-O 3.42Å; D342-E350 PolarHBondContact N-O 3.41Å; D342-E350 PolarHBondContact O-N 2.98Å; H348-E350 PolarHBondContact O-N 2.84Å |
| 351 | I | 93.3 | Very high | 88.3 | Confident | 76 Ų | 76 | 53.7 Ų | 53.7 | 39% | 0.39 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 122.9 | 172.4 | -62.1 | 173.6 | 0 | 0 | 0 | 108.2 | M281 M341 V354 | M281-I351 VanDerWaalsContact CE-O 3.22Å; M281-I351 WeakPolarHBondContact CE-O 3.48Å; M341-I351 HydrophobicContact CE-CB 4.44Å; M341-I351 HydrophobicContact CE-CG1 3.57Å; M341-I351 HydrophobicContact SD-CB 4.45Å; M341-I351 HydrophobicContact SD-CG1 3.67Å; I351-V354 HydrophobicContact CG2-CG1 3.92Å |
| 352 | I | 93 | Very high | 87.5 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -52.6 | 171.2 | -58.4 | -176.5 | 0 | 0 | 0 | 108.9 | L252 L278 K279 M281 P289 V340 D342 | L252-I352 WeakPolarHBondContact CD2-O 2.88Å; L278-I352 HydrophobicContact CD1-CD1 4.48Å; L278-I352 HydrophobicContact CD2-CG2 4.47Å; K279-I352 HydrophobicContact CB-CG2 4.11Å; M281-I352 HydrophobicContact CE-CG1 4.39Å; M281-I352 HydrophobicContact CG-CD1 4.36Å; M281-I352 HydrophobicContact CG-CG1 3.84Å; M281-I352 HydrophobicContact SD-CG1 4.3Å; P289-I352 HydrophobicContact CB-CD1 4.37Å; V340-I352 HydrophobicContact CB-CB 4.42Å; V340-I352 HydrophobicContact CG1-CB 4.28Å; V340-I352 HydrophobicContact CG1-CD1 4.19Å; V340-I352 PolarHBondContact O-N 3.27Å; D342-I352 HydrophobicContact CB-CD1 4.17Å; D342-I352 HydrophobicContact CB-CG1 4.12Å |
| 353 | G | 93.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.9 | 168.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | V340 L387 | V340-G353 PolarHBondContact N-O 3.28Å; V340-G353 PolarHBondContact O-N 3.49Å; G353-L387 CarbonylContact C-O 3.54Å; G353-L387 WeakPolarHBondContact CA-O 3.34Å |
| 354 | V | 94.6 | Very high | 86.8 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 9% | 0.085 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 153 | -174.3 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | I338 I351 L387 | I338-V354 CarbonylContact O-C 3.55Å; I338-V354 VanDerWaalsContact O-CA 3.32Å; I338-V354 WeakPolarHBondContact O-CA 3.33Å; I351-V354 HydrophobicContact CG2-CG1 3.92Å; V354-L387 WeakPolarHBondContact CG2-O 3.35Å; V354-L387 PolarHBondContact N-O 2.87Å; V354-L387 PolarHBondContact O-N 3.42Å |
| 355 | M | 93.3 | Very high | 87.2 | Confident | 15 Ų | 15 | 60.1 Ų | 60.1 | 7% | 0.074 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 143.7 | 173.1 | 170.8 | 49.4 | 63.1 | 0 | 0 | 108.9 | F257 I338 V357 H384 P385 | F257-M355 HydrophobicContact CE1-CG 4.18Å; I338-M355 HydrophobicContact CB-CB 4.3Å; I338-M355 HydrophobicContact CD1-CG 4.46Å; I338-M355 PolarHBondContact N-O 3.09Å; I338-M355 PolarHBondContact O-N 3.13Å; I338-M355 VanDerWaalsContact O-O 3.13Å; M355-V357 HydrophobicContact CG-CG2 4.3Å; M355-H384 HydrophobicContact CE-CB 3.58Å; M355-H384 HydrophobicContact CG-CB 3.98Å; M355-H384 HydrophobicContact SD-CB 4.18Å; M355-P385 WeakPolarHBondContact CE-O 3.26Å |
| 356 | R | 93.4 | Very high | 88 | Confident | 65 Ų | 65 | 58.8 Ų | 58.8 | 25% | 0.245 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 138.4 | 177.9 | -60.9 | -172.6 | -177.3 | -156.1 | 3.5 | 110.2 | L336 H337 G365 S392 | L336-R356 WeakPolarHBondContact O-CA 3.24Å; H337-R356 PolarHBondContact CE1-NE 2.64Å; H337-R356 PolarHBondContact CE1-NH1 3.19Å; H337-R356 PolarHBondContact CE1-NH2 2.84Å; H337-R356 VanDerWaalsContact CE1-NH2 3.29Å; H337-R356 WeakPolarHBondContact NE2-CD 3.33Å; H337-R356 PolarHBondContact NE2-NE 3.06Å; H337-R356 PolarHBondContact NE2-NH1 3.26Å; H337-R356 VanDerWaalsContact NE2-NH1 3.15Å; R356-G365 WeakPolarHBondContact O-CA 3.45Å; R356-S392 VanDerWaalsContact NH2-CB 3.29Å; R356-S392 PolarHBondContact NH2-O 3.25Å; R356-S392 PolarHBondContact NH2-OG 3.47Å; R356-S392 VanDerWaalsContact NH2-OG 3.09Å |
| 357 | V | 95.4 | Very high | 89 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 133.6 | -178.4 | -146.7 | 0 | 0 | 0 | 0 | 107.9 | F257 L259 S335 L336 I338 M355 G365 H368 W369 | F257-V357 HydrophobicContact CE1-CG2 4.44Å; F257-V357 HydrophobicContact CE2-CG1 4.44Å; F257-V357 HydrophobicContact CE2-CG2 3.89Å; F257-V357 HydrophobicContact CZ-CG1 4.38Å; F257-V357 HydrophobicContact CZ-CG2 3.46Å; F257-V357 VanDerWaalsContact CZ-CG2 3.46Å; L259-V357 HydrophobicContact CD1-CG1 3.77Å; S335-V357 CarbonylContact C-O 3.55Å; S335-V357 WeakPolarHBondContact CA-O 3.42Å; S335-V357 WeakPolarHBondContact CB-O 3.37Å; L336-V357 PolarHBondContact N-O 3.31Å; L336-V357 PolarHBondContact O-N 3.1Å; I338-V357 HydrophobicContact CD1-CG2 3.66Å; I338-V357 HydrophobicContact CG1-CG2 4.49Å; M355-V357 HydrophobicContact CG-CG2 4.3Å; V357-G365 WeakPolarHBondContact CG1-O 3.49Å; V357-H368 HydrophobicContact CG1-CB 4.43Å; V357-W369 HydrophobicContact CB-CE3 4.43Å; V357-W369 HydrophobicContact CG1-CB 4.33Å; V357-W369 HydrophobicContact CG1-CE3 4.19Å |
| 358 | G | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.2 | 169.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H360 A361 | G358-H360 PolarHBondContact O-N 2.77Å; G358-A361 WeakPolarHBondContact O-CB 3.44Å; G358-A361 PolarHBondContact O-N 3.08Å; G358-A361 VanDerWaalsContact O-N 3.13Å |
| 359 | S | 87.3 | Confident | 91 | Very high | 26 Ų | 26 | 45.1 Ų | 45.1 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -39.5 | 177.5 | 49 | 0 | 0 | 0 | 0 | 113 | D332 | D332-S359 PolarHBondContact O-OG 3.02Š|
| 360 | H | 83.9 | Confident | 91.4 | Very high | 146 Ų | 146 | 45.8 Ų | 45.8 | 68% | 0.676 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 10.7 | -178.3 | -57.8 | 96.6 | 0 | 0 | 0 | 113.9 | D332 G358 | D332-H360 PolarHBondContact O-CE1 2.86Å; D332-H360 PolarHBondContact O-ND1 2.77Å; G358-H360 PolarHBondContact O-N 2.77Å |
| 361 | A | 85 | Confident | 91.7 | Very high | 14 Ų | 14 | 45.4 Ų | 45.4 | 12% | 0.116 | 23% | 0.232 | C | C | . | . | trans | -71.2 | 167.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G358 R366 | G358-A361 WeakPolarHBondContact O-CB 3.44Å; G358-A361 PolarHBondContact O-N 3.08Å; G358-A361 VanDerWaalsContact O-N 3.13Å; A361-R366 HydrophobicContact CB-CB 4.45Å; A361-R366 WeakPolarHBondContact O-CB 3.27Å | ||
| 362 | E | 80.1 | Confident | 91.9 | Very high | 105 Ų | 105 | 41.8 Ų | 41.8 | 49% | 0.491 | 21% | 0.214 | S | C | . | . | trans | -109.5 | 152.1 | 175.8 | -63 | -171.6 | -177.9 | 0 | 0 | 111.1 | R399 | E362-R399 IonicContact OE1-CZ 3.59Å; E362-R399 IonicContact OE1-NH1 3.94Å; E362-R399 IonicContact OE1-NH2 2.92Å; E362-R399 PolarHBondContact OE1-NH2 3.44Å | ||
| 363 | G | 88.1 | Confident | 92 | Very high | 42 Ų | 42 | 44.3 Ų | 44.3 | 43% | 0.433 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | -137.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G365 R366 D367 | G363-G365 PolarHBondContact O-N 3.42Å; G363-G365 VanDerWaalsContact O-N 3.1Å; G363-R366 WeakPolarHBondContact O-CB 3.42Å; G363-R366 PolarHBondContact O-N 3.28Å; G363-D367 PolarHBondContact O-N 3.41Å |
| 364 | L | 88 | Confident | 92.1 | Very high | 97 Ų | 97 | 47.4 Ų | 47.4 | 51% | 0.508 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.9 | -31.4 | -173.1 | -61 | 176.2 | 0 | 0 | 0 | 113.7 | R366 D367 H368 H384 | L364-R366 VanDerWaalsContact C-N 3.31Å; L364-R366 PolarHBondContact O-N 2.72Å; L364-D367 PolarHBondContact O-N 3.02Å; L364-H368 WeakPolarHBondContact O-CB 3.49Å; L364-H368 PolarHBondContact O-N 2.84Å; L364-H384 PolarHBondContact O-CE1 3.24Å |
| 365 | G | 91 | Very high | 92.1 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -35.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R356 V357 G363 W369 | R356-G365 WeakPolarHBondContact O-CA 3.45Å; V357-G365 WeakPolarHBondContact CG1-O 3.49Å; G363-G365 PolarHBondContact O-N 3.42Å; G363-G365 VanDerWaalsContact O-N 3.1Å; G365-W369 PolarHBondContact O-N 2.82Å |
| 366 | R | 93.9 | Very high | 92 | Very high | 116 Ų | 116 | 54.8 Ų | 54.8 | 44% | 0.438 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -74.3 | -43 | 174.8 | -171.2 | 178.5 | 63.9 | -176.8 | -1.1 | 111.2 | A361 G363 L364 H368 W369 N370 | A361-R366 HydrophobicContact CB-CB 4.45Å; A361-R366 WeakPolarHBondContact O-CB 3.27Å; G363-R366 WeakPolarHBondContact O-CB 3.42Å; G363-R366 PolarHBondContact O-N 3.28Å; L364-R366 VanDerWaalsContact C-N 3.31Å; L364-R366 PolarHBondContact O-N 2.72Å; R366-H368 PolarHBondContact O-N 2.83Å; R366-W369 WeakPolarHBondContact O-CB 3.43Å; R366-W369 PolarHBondContact O-N 3.15Å; R366-W369 VanDerWaalsContact O-N 3.15Å; R366-N370 VanDerWaalsContact O-CG 3.32Å; R366-N370 PolarHBondContact O-N 3.39Å |
| 367 | D | 93.7 | Very high | 92.1 | Very high | 82 Ų | 82 | 60.7 Ų | 60.7 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | -176.9 | -58.9 | -21.4 | 0 | 0 | 0 | 111 | G363 L364 W369 N370 E371 | G363-D367 PolarHBondContact O-N 3.41Å; L364-D367 PolarHBondContact O-N 3.02Å; D367-W369 VanDerWaalsContact C-N 3.33Å; D367-W369 PolarHBondContact O-N 3.22Å; D367-N370 PolarHBondContact O-N 3.46Å; D367-E371 WeakPolarHBondContact O-CB 3.43Å; D367-E371 PolarHBondContact O-N 3.49Å |
| 368 | H | 96.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.009 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 173.9 | -172.2 | -174.4 | 0 | 0 | 0 | 112.2 | F257 V357 L364 R366 M372 I380 H382 H384 | F257-H368 AromaticContact CD2-CE1 3.78Å; F257-H368 AromaticContact CE2-CE1 3.4Å; F257-H368 VanDerWaalsContact CE2-CE1 3.4Å; F257-H368 WeakPolarHBondContact CE2-CE1 3.4Å; F257-H368 AromaticContact CE2-ND1 3.43Å; F257-H368 WeakPolarHBondContact CE2-ND1 3.43Å; F257-H368 AromaticContact CZ-CE1 3.96Å; F257-H368 AromaticContact CZ-ND1 3.62Å; F257-H368 PolarHBondContact O-CE1 3.29Å; V357-H368 HydrophobicContact CG1-CB 4.43Å; L364-H368 WeakPolarHBondContact O-CB 3.49Å; L364-H368 PolarHBondContact O-N 2.84Å; R366-H368 PolarHBondContact O-N 2.83Å; H368-M372 WeakPolarHBondContact O-CB 3.31Å; H368-M372 PolarHBondContact O-N 3.11Å; H368-I380 PolarHBondContact NE2-O 3.16Å; H368-I380 VanDerWaalsContact NE2-O 3.08Å; H368-H382 AromaticContact CD2-CD2 3.5Å; H368-H382 AromaticContact CG-CD2 3.75Å; H368-H382 AromaticContact NE2-CD2 3.93Å; H368-H384 AromaticContact CE1-NE2 3.84Å; H368-H384 AromaticContact CG-NE2 3.7Å; H368-H384 AromaticContact ND1-CD2 3.84Å; H368-H384 AromaticContact ND1-CE1 3.78Å; H368-H384 AromaticContact ND1-NE2 2.96Å; H368-H384 PolarHBondContact ND1-NE2 3.39Å |
| 369 | W | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 175.9 | -168.4 | -99.3 | 0 | 0 | 0 | 111.8 | L259 L268 M331 V334 L336 V357 G365 R366 D367 E371 M372 L373 | L259-W369 HydrophobicContact CD1-CE3 3.93Å; L259-W369 HydrophobicContact CD1-CZ3 4.42Å; L268-W369 HydrophobicContact CD2-CH2 3.65Å; L268-W369 HydrophobicContact CD2-CZ3 3.82Å; M331-W369 HydrophobicContact CG-CZ2 4.41Å; M331-W369 HydrophobicContact SD-CH2 4.03Å; M331-W369 HydrophobicContact SD-CZ2 3.24Å; M331-W369 WeakPolarHBondContact SD-CZ2 3.25Å; V334-W369 HydrophobicContact CG1-CH2 4.47Å; L336-W369 HydrophobicContact CD1-CZ3 4.17Å; L336-W369 HydrophobicContact CG-CZ3 4.17Å; V357-W369 HydrophobicContact CB-CE3 4.43Å; V357-W369 HydrophobicContact CG1-CB 4.33Å; V357-W369 HydrophobicContact CG1-CE3 4.19Å; G365-W369 PolarHBondContact O-N 2.82Å; R366-W369 WeakPolarHBondContact O-CB 3.43Å; R366-W369 PolarHBondContact O-N 3.15Å; R366-W369 VanDerWaalsContact O-N 3.15Å; D367-W369 VanDerWaalsContact C-N 3.33Å; D367-W369 PolarHBondContact O-N 3.22Å; W369-E371 VanDerWaalsContact C-N 3.35Å; W369-E371 PolarHBondContact O-N 2.83Å; W369-M372 HydrophobicContact CD2-CE 3.84Å; W369-M372 HydrophobicContact CE3-CE 3.95Å; W369-M372 HydrophobicContact CG-CE 4.41Å; W369-M372 HydrophobicContact CH2-CE 4.37Å; W369-M372 HydrophobicContact CZ2-CE 4.28Å; W369-M372 HydrophobicContact CZ3-CE 4.2Å; W369-M372 WeakPolarHBondContact O-CB 3.43Å; W369-M372 PolarHBondContact O-N 3.27Å; W369-L373 WeakPolarHBondContact O-CG 3.01Å; W369-L373 PolarHBondContact O-N 3.16Å; W369-L373 VanDerWaalsContact O-N 3.1Å |
| 370 | N | 95.4 | Very high | 92.7 | Very high | 78 Ų | 78 | 69.3 Ų | 69.3 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 178.8 | -70.8 | -14.1 | 0 | 0 | 0 | 111.7 | R366 D367 L373 A374 | R366-N370 VanDerWaalsContact O-CG 3.32Å; R366-N370 PolarHBondContact O-N 3.39Å; D367-N370 PolarHBondContact O-N 3.46Å; N370-L373 PolarHBondContact O-N 2.79Å; N370-A374 WeakPolarHBondContact O-CB 3.38Å; N370-A374 PolarHBondContact O-N 3.35Å |
| 371 | E | 96.1 | Very high | 93.4 | Very high | 67 Ų | 67 | 64.7 Ų | 64.7 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 176.4 | -169.9 | 178.9 | -179.6 | 0 | 0 | 111.8 | D367 W369 L373 A374 Y375 I380 H382 | D367-E371 WeakPolarHBondContact O-CB 3.43Å; D367-E371 PolarHBondContact O-N 3.49Å; W369-E371 VanDerWaalsContact C-N 3.35Å; W369-E371 PolarHBondContact O-N 2.83Å; E371-L373 VanDerWaalsContact C-N 3.28Å; E371-L373 PolarHBondContact O-N 3.14Å; E371-A374 PolarHBondContact O-N 2.69Å; E371-Y375 HydrophobicContact CG-CD2 3.81Å; E371-Y375 HydrophobicContact CG-CE2 3.97Å; E371-Y375 WeakPolarHBondContact O-CD2 3.4Å; E371-Y375 PolarHBondContact O-N 3.21Å; E371-I380 HydrophobicContact CB-CG2 4.41Å; E371-I380 HydrophobicContact CG-CD1 4.49Å; E371-I380 HydrophobicContact CG-CG1 4.33Å; E371-I380 HydrophobicContact CG-CG2 3.98Å; E371-H382 IonicContact OE2-CD2 3.52Å; E371-H382 IonicContact OE2-CE1 3.55Å; E371-H382 IonicContact OE2-NE2 3.89Å; E371-H382 PolarHBondContact OE2-NE2 3.46Å |
| 372 | M | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.3 | -42.1 | 173.3 | 174.8 | -154.5 | 65.7 | 0 | 0 | 111.7 | L259 L268 M331 H368 W369 Y375 | L259-M372 HydrophobicContact CB-CB 4.07Å; L259-M372 HydrophobicContact CB-CG 3.84Å; L259-M372 HydrophobicContact CB-SD 3.61Å; L259-M372 HydrophobicContact CD1-SD 4.2Å; L259-M372 HydrophobicContact CG-SD 4.41Å; L268-M372 HydrophobicContact CD1-CE 4.19Å; L268-M372 HydrophobicContact CD1-SD 3.27Å; L268-M372 WeakPolarHBondContact CD1-SD 3.42Å; M331-M372 HydrophobicContact CE-CE 4.1Å; M331-M372 HydrophobicContact SD-CE 4.36Å; H368-M372 WeakPolarHBondContact O-CB 3.31Å; H368-M372 PolarHBondContact O-N 3.11Å; W369-M372 HydrophobicContact CD2-CE 3.84Å; W369-M372 HydrophobicContact CE3-CE 3.95Å; W369-M372 HydrophobicContact CG-CE 4.41Å; W369-M372 HydrophobicContact CH2-CE 4.37Å; W369-M372 HydrophobicContact CZ2-CE 4.28Å; W369-M372 HydrophobicContact CZ3-CE 4.2Å; W369-M372 WeakPolarHBondContact O-CB 3.43Å; W369-M372 PolarHBondContact O-N 3.27Å; M372-Y375 CarbonylContact O-C 3.43Å |
| 373 | L | 95 | Very high | 94.6 | Very high | 58 Ų | 58 | 65.4 Ų | 65.4 | 30% | 0.304 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.2 | -36.2 | 178.2 | -65.6 | 175.9 | 0 | 0 | 0 | 112.5 | Y261 M331 W369 N370 E371 Y375 P376 | Y261-L373 HydrophobicContact CD1-CD2 4.46Å; M331-L373 HydrophobicContact CE-CD2 3.55Å; M331-L373 HydrophobicContact CG-CD1 4.28Å; M331-L373 HydrophobicContact CG-CD2 3.71Å; M331-L373 HydrophobicContact SD-CD2 3.94Å; W369-L373 WeakPolarHBondContact O-CG 3.01Å; W369-L373 PolarHBondContact O-N 3.16Å; W369-L373 VanDerWaalsContact O-N 3.1Å; N370-L373 PolarHBondContact O-N 2.79Å; E371-L373 VanDerWaalsContact C-N 3.28Å; E371-L373 PolarHBondContact O-N 3.14Å; L373-Y375 VanDerWaalsContact C-N 3.28Å; L373-Y375 PolarHBondContact O-N 2.76Å; L373-P376 WeakPolarHBondContact O-CD 3.34Å |
| 374 | A | 95.8 | Very high | 94.8 | Very high | 67 Ų | 67 | 63.5 Ų | 63.5 | 55% | 0.554 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -67.9 | -27.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N370 E371 P376 | N370-A374 WeakPolarHBondContact O-CB 3.38Å; N370-A374 PolarHBondContact O-N 3.35Å; E371-A374 PolarHBondContact O-N 2.69Å; A374-P376 VanDerWaalsContact C-CD 3.45Å; A374-P376 WeakPolarHBondContact O-CD 3.17Å |
| 375 | Y | 94.8 | Very high | 94.8 | Very high | 124 Ų | 124 | 61.5 Ų | 61.5 | 49% | 0.486 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -121.1 | 70.4 | 178.4 | -58.5 | -73.7 | 0 | 0 | 0 | 112.8 | E371 M372 L373 K378 I380 | E371-Y375 HydrophobicContact CG-CD2 3.81Å; E371-Y375 HydrophobicContact CG-CE2 3.97Å; E371-Y375 WeakPolarHBondContact O-CD2 3.4Å; E371-Y375 PolarHBondContact O-N 3.21Å; M372-Y375 CarbonylContact O-C 3.43Å; L373-Y375 VanDerWaalsContact C-N 3.28Å; L373-Y375 PolarHBondContact O-N 2.76Å; Y375-K378 WeakPolarHBondContact O-CB 3.24Å; Y375-K378 PolarHBondContact O-N 3.2Å; Y375-I380 HydrophobicContact CD2-CD1 4.38Å |
| 376 | P | 92.2 | Very high | 94.8 | Very high | 59 Ų | 59 | 61.8 Ų | 61.8 | 38% | 0.383 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 145 | 179.2 | -22.7 | 32.6 | 0 | 0 | 0 | 112.4 | P263 L373 A374 K378 | P263-P376 HydrophobicContact CG-CB 4.2Å; L373-P376 WeakPolarHBondContact O-CD 3.34Å; A374-P376 VanDerWaalsContact C-CD 3.45Å; A374-P376 WeakPolarHBondContact O-CD 3.17Å; P376-K378 PolarHBondContact O-N 3.05Å; P376-K378 VanDerWaalsContact O-N 3.14Å |
| 377 | R | 93.4 | Very high | 94.6 | Very high | 189 Ų | 189 | 61 Ų | 61 | 71% | 0.713 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | -4.9 | -178.7 | -50 | 174.9 | -75.3 | -167.4 | -4.5 | 115.6 | C260 Y261 L262 | C260-R377 VanDerWaalsContact SG-C 3.52Å; Y261-R377 PolarHBondContact O-N 3.24Å; L262-R377 HydrophobicContact CD1-CG 3.61Å |
| 378 | K | 95.6 | Very high | 94.2 | Very high | 118 Ų | 118 | 59.5 Ų | 59.5 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -95.5 | 124.6 | 174 | -171 | -179.7 | 174.3 | -170.8 | 0 | 109 | Y375 P376 I380 | Y375-K378 WeakPolarHBondContact O-CB 3.24Å; Y375-K378 PolarHBondContact O-N 3.2Å; P376-K378 PolarHBondContact O-N 3.05Å; P376-K378 VanDerWaalsContact O-N 3.14Å; K378-I380 HydrophobicContact CB-CD1 4.33Å; K378-I380 HydrophobicContact CD-CD1 3.88Å; K378-I380 HydrophobicContact CG-CD1 3.98Å; K378-I380 PolarHBondContact O-N 3.46Å |
| 379 | P | 97.1 | Very high | 93.2 | Very high | 82 Ų | 82 | 61.7 Ų | 61.7 | 53% | 0.532 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -69 | 118.3 | 169.4 | 28.1 | -31.4 | 0 | 0 | 0 | 109.6 | L259 C260 | L259-P379 WeakPolarHBondContact O-CA 3.43Å; C260-P379 HydrophobicContact CB-CB 4.22Å |
| 380 | I | 97.9 | Very high | 91.4 | Very high | 8 Ų | 8 | 69.2 Ų | 69.2 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 128.7 | 174.1 | -54.1 | -55.3 | 0 | 0 | 0 | 107.4 | S258 L259 H368 E371 Y375 K378 | S258-I380 CarbonylContact C-O 3.51Å; S258-I380 WeakPolarHBondContact CA-O 3.46Å; S258-I380 WeakPolarHBondContact CB-O 3.38Å; L259-I380 PolarHBondContact N-O 3.41Å; L259-I380 PolarHBondContact O-N 3.44Å; H368-I380 PolarHBondContact NE2-O 3.16Å; H368-I380 VanDerWaalsContact NE2-O 3.08Å; E371-I380 HydrophobicContact CB-CG2 4.41Å; E371-I380 HydrophobicContact CG-CD1 4.49Å; E371-I380 HydrophobicContact CG-CG1 4.33Å; E371-I380 HydrophobicContact CG-CG2 3.98Å; Y375-I380 HydrophobicContact CD2-CD1 4.38Å; K378-I380 HydrophobicContact CB-CD1 4.33Å; K378-I380 HydrophobicContact CD-CD1 3.88Å; K378-I380 HydrophobicContact CG-CD1 3.98Å; K378-I380 PolarHBondContact O-N 3.46Å |
| 381 | A | 97.6 | Very high | 89.3 | Confident | 48 Ų | 48 | 70.4 Ų | 70.4 | 40% | 0.397 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 129.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I273 | I273-A381 HydrophobicContact CD1-CB 4.08Å |
| 382 | H | 95.1 | Very high | 87 | Confident | 70 Ų | 70 | 68.2 Ų | 68.2 | 32% | 0.324 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 154.7 | -179.2 | -78 | -54.6 | 0 | 0 | 0 | 112.1 | M256 F257 H368 E371 H384 | M256-H382 WeakPolarHBondContact CA-O 3.32Å; F257-H382 PolarHBondContact N-O 3.01Å; F257-H382 PolarHBondContact O-N 3.13Å; H368-H382 AromaticContact CD2-CD2 3.5Å; H368-H382 AromaticContact CG-CD2 3.75Å; H368-H382 AromaticContact NE2-CD2 3.93Å; E371-H382 IonicContact OE2-CD2 3.52Å; E371-H382 IonicContact OE2-CE1 3.55Å; E371-H382 IonicContact OE2-NE2 3.89Å; E371-H382 PolarHBondContact OE2-NE2 3.46Å; H382-H384 WeakPolarHBondContact CB-NE2 3.19Å |
| 383 | W | 94.8 | Very high | 84.4 | Confident | 65 Ų | 65 | 73.8 Ų | 73.8 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 142.7 | 165.2 | -76.9 | 107.3 | 0 | 0 | 0 | 110.4 | E254 M256 K274 R276 | E254-W383 HydrophobicContact CB-CE3 3.76Å; E254-W383 HydrophobicContact CB-CZ3 4.13Å; M256-W383 HydrophobicContact CB-CD2 3.77Å; M256-W383 HydrophobicContact CB-CE3 3.62Å; M256-W383 HydrophobicContact CB-CH2 3.9Å; M256-W383 HydrophobicContact CB-CZ2 4.05Å; M256-W383 HydrophobicContact CB-CZ3 3.67Å; M256-W383 HydrophobicContact CE-CD2 4.21Å; M256-W383 HydrophobicContact CE-CG 4.12Å; M256-W383 HydrophobicContact CE-CZ2 4.3Å; M256-W383 HydrophobicContact CG-CD2 4.39Å; M256-W383 HydrophobicContact SD-CZ2 4.07Å; K274-W383 HydrophobicContact CD-CH2 4.27Å; K274-W383 HydrophobicContact CD-CZ2 4.44Å; K274-W383 HydrophobicContact CG-CH2 3.86Å; K274-W383 HydrophobicContact CG-CZ2 4.35Å; R276-W383 HydrophobicContact CB-CH2 4.12Å; R276-W383 HydrophobicContact CB-CZ3 4.35Å; R276-W383 HydrophobicContact CG-CE3 4.46Å; R276-W383 HydrophobicContact CG-CH2 3.73Å; R276-W383 HydrophobicContact CG-CZ3 3.7Å |
| 384 | H | 92.4 | Very high | 81.8 | Confident | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.009 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 125.3 | -179.1 | -75.7 | -81.5 | 0 | 0 | 0 | 109.9 | E254 I255 F257 M355 L364 H368 H382 | E254-H384 WeakPolarHBondContact CA-O 3.5Å; I255-H384 HydrophobicContact CG2-CB 4.09Å; I255-H384 PolarHBondContact N-O 3.34Å; I255-H384 PolarHBondContact O-N 2.77Å; F257-H384 HydrophobicContact CE1-CB 4.02Å; F257-H384 AromaticContact CE1-CD2 3.25Å; F257-H384 WeakPolarHBondContact CE1-CD2 3.32Å; F257-H384 AromaticContact CE1-CG 3.66Å; F257-H384 AromaticContact CZ-CD2 3.5Å; F257-H384 VanDerWaalsContact CZ-CD2 3.5Å; F257-H384 WeakPolarHBondContact CZ-CD2 3.33Å; F257-H384 AromaticContact CZ-NE2 3.78Å; M355-H384 HydrophobicContact CE-CB 3.58Å; M355-H384 HydrophobicContact CG-CB 3.98Å; M355-H384 HydrophobicContact SD-CB 4.18Å; L364-H384 PolarHBondContact O-CE1 3.24Å; H368-H384 AromaticContact CE1-NE2 3.84Å; H368-H384 AromaticContact CG-NE2 3.7Å; H368-H384 AromaticContact ND1-CD2 3.84Å; H368-H384 AromaticContact ND1-CE1 3.78Å; H368-H384 AromaticContact ND1-NE2 2.96Å; H368-H384 PolarHBondContact ND1-NE2 3.39Å; H382-H384 WeakPolarHBondContact CB-NE2 3.19Å |
| 385 | P | 88.6 | Confident | 79.4 | Confident | 55 Ų | 55 | 80.6 Ų | 80.6 | 36% | 0.357 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 140.4 | 174.8 | 29.6 | -34 | 0 | 0 | 0 | 110.9 | M355 | M355-P385 WeakPolarHBondContact CE-O 3.26Å |
| 386 | L | 92.1 | Very high | 76.9 | Confident | 8 Ų | 8 | 79.4 Ų | 79.4 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | trans | -82.7 | 137.9 | 177.8 | -66 | 171.5 | 0 | 0 | 0 | 110.8 | L252 G253 I255 L278 V340 | L252-L386 HydrophobicContact CB-CB 3.76Å; L252-L386 WeakPolarHBondContact O-CD1 3.4Å; G253-L386 VanDerWaalsContact O-CB 3.26Å; G253-L386 WeakPolarHBondContact O-CB 3.24Å; G253-L386 WeakPolarHBondContact O-CG 3.3Å; G253-L386 PolarHBondContact O-N 3.33Å; I255-L386 HydrophobicContact CB-CD2 4.27Å; I255-L386 HydrophobicContact CG2-CD2 3.75Å; I255-L386 HydrophobicContact CG2-CG 4.42Å; L278-L386 HydrophobicContact CD2-CD1 3.52Å; V340-L386 HydrophobicContact CB-CD1 4.05Å; V340-L386 HydrophobicContact CB-CD2 4.44Å; V340-L386 HydrophobicContact CG2-CD1 3.76Å; V340-L386 HydrophobicContact CG2-CD2 3.65Å; V340-L386 HydrophobicContact CG2-CG 4.38Å | ||
| 387 | L | 89.1 | Confident | 74.5 | Confident | 100 Ų | 100 | 83.4 Ų | 83.4 | 52% | 0.524 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -111.7 | 157.2 | -179 | -57.7 | 177.8 | 0 | 0 | 0 | 111.6 | G353 V354 | G353-L387 CarbonylContact C-O 3.54Å; G353-L387 WeakPolarHBondContact CA-O 3.34Å; V354-L387 WeakPolarHBondContact CG2-O 3.35Å; V354-L387 PolarHBondContact N-O 2.87Å; V354-L387 PolarHBondContact O-N 3.42Å |
| 388 | E | 84.9 | Confident | 72 | Confident | 50 Ų | 50 | 77.8 Ų | 77.8 | 23% | 0.234 | 39% | 0.388 | C | S | . | . | trans | -65.1 | 141.3 | 173.4 | -70.3 | -171.8 | 159.9 | 0 | 0 | 111.6 | S247 L252 K390 K391 | S247-E388 WeakPolarHBondContact CB-OE2 3.31Å; S247-E388 PolarHBondContact OG-OE2 3.2Å; L252-E388 HydrophobicContact CD1-CG 4.04Å; E388-K390 VanDerWaalsContact C-N 3.31Å; E388-K390 PolarHBondContact O-N 3.32Å; E388-K391 PolarHBondContact O-N 3.12Å | ||
| 389 | S | 76.3 | Confident | 69.6 | Low | 47 Ų | 47 | 79.1 Ų | 79.1 | 33% | 0.329 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.6 | -38.5 | 179.3 | 60.6 | 0 | 0 | 0 | 0 | 113.2 | K391 S392 E393 | S389-K391 PolarHBondContact O-N 3.2Å; S389-S392 PolarHBondContact O-N 3.5Å; S389-S392 PolarHBondContact O-OG 3.24Å; S389-E393 PolarHBondContact O-N 3.16Å |
| 390 | K | 59.4 | Low | 67.1 | Low | 159 Ų | 159 | 77.8 Ų | 77.8 | 69% | 0.691 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.7 | -32.7 | -174.8 | -69.3 | -178.3 | -179.4 | 173.8 | 0 | 114.1 | E388 S392 E393 K394 | E388-K390 VanDerWaalsContact C-N 3.31Å; E388-K390 PolarHBondContact O-N 3.32Å; K390-S392 VanDerWaalsContact C-N 3.34Å; K390-E393 PolarHBondContact O-N 2.84Å; K390-K394 PolarHBondContact O-N 3.07Å |
| 391 | K | 49.9 | Very low | 64.5 | Low | 102 Ų | 102 | 80.1 Ų | 80.1 | 44% | 0.443 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 174.8 | -80 | -178.8 | 175.7 | 170.9 | 0 | 110.5 | T246 S247 E388 S389 E393 K394 E395 | T246-K391 PolarHBondContact O-NZ 3.48Å; S247-K391 PolarHBondContact O-NZ 3.44Å; E388-K391 PolarHBondContact O-N 3.12Å; S389-K391 PolarHBondContact O-N 3.2Å; K391-E393 VanDerWaalsContact C-N 3.29Å; K391-E393 PolarHBondContact O-N 2.92Å; K391-K394 PolarHBondContact O-N 3.07Å; K391-E395 PolarHBondContact O-N 3.19Å |
| 392 | S | 48.7 | Very low | 61.7 | Low | 21 Ų | 21 | 82 Ų | 82 | 15% | 0.147 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69.7 | -20.3 | -179.4 | 86.9 | 0 | 0 | 0 | 0 | 114.7 | R356 S389 K390 | R356-S392 VanDerWaalsContact NH2-CB 3.29Å; R356-S392 PolarHBondContact NH2-O 3.25Å; R356-S392 PolarHBondContact NH2-OG 3.47Å; R356-S392 VanDerWaalsContact NH2-OG 3.09Å; S389-S392 PolarHBondContact O-N 3.5Å; S389-S392 PolarHBondContact O-OG 3.24Å; K390-S392 VanDerWaalsContact C-N 3.34Å |
| 393 | E | 42.3 | Very low | 59 | Low | 118 Ų | 118 | 87.1 Ų | 87.1 | 55% | 0.551 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -92.3 | -24.8 | -179.4 | -157.5 | 174.3 | -154.6 | 0 | 0 | 112.8 | S389 K390 K391 W396 K397 | S389-E393 PolarHBondContact O-N 3.16Å; K390-E393 PolarHBondContact O-N 2.84Å; K391-E393 VanDerWaalsContact C-N 3.29Å; K391-E393 PolarHBondContact O-N 2.92Å; E393-W396 WeakPolarHBondContact O-CB 3.46Å; E393-W396 PolarHBondContact O-N 3.37Å; E393-K397 PolarHBondContact O-N 3.49Å; E393-K397 VanDerWaalsContact O-N 3.16Å |
| 394 | K | 39.2 | Very low | 56.4 | Low | 172 Ų | 172 | 91.1 Ų | 91.1 | 75% | 0.748 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -74.5 | -40.8 | 172.6 | -80.4 | -174.5 | 176.6 | -179.1 | 0 | 112.5 | K390 K391 W396 K397 A398 | K390-K394 PolarHBondContact O-N 3.07Å; K391-K394 PolarHBondContact O-N 3.07Å; K394-W396 PolarHBondContact O-N 3.29Å; K394-K397 PolarHBondContact O-N 3.46Å; K394-A398 PolarHBondContact O-N 3.1Å |
| 395 | E | 45.7 | Very low | 54 | Low | 95 Ų | 95 | 95.6 Ų | 95.6 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.9 | -35.6 | 168.7 | -82.7 | 171.5 | 172.9 | 0 | 0 | 112 | K391 R399 | K391-E395 PolarHBondContact O-N 3.19Å; E395-R399 PolarHBondContact O-N 3.28Å |
| 396 | W | 42.6 | Very low | 51.7 | Low | 100 Ų | 100 | 101.6 Ų | 101.6 | 38% | 0.379 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -51 | 178.5 | 177.5 | -95.9 | 0 | 0 | 0 | 112.7 | E393 K394 A398 R399 T400 | E393-W396 WeakPolarHBondContact O-CB 3.46Å; E393-W396 PolarHBondContact O-N 3.37Å; K394-W396 PolarHBondContact O-N 3.29Å; W396-A398 VanDerWaalsContact C-N 3.31Å; W396-A398 PolarHBondContact O-N 3.44Å; W396-R399 PolarHBondContact O-N 3.14Å; W396-T400 HydrophobicContact CD2-CG2 4.37Å; W396-T400 HydrophobicContact CH2-CG2 4.29Å; W396-T400 HydrophobicContact CZ2-CG2 3.8Å; W396-T400 PolarHBondContact O-N 3.31Å; W396-T400 VanDerWaalsContact O-N 3.07Å; W396-T400 PolarHBondContact O-OG1 3.25Å |
| 397 | K | 41.5 | Very low | 49 | Very low | 143 Ų | 143 | 104.5 Ų | 104.5 | 62% | 0.622 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.9 | -33.9 | 180 | -74.4 | -173.2 | 178.2 | -177.9 | 0 | 113 | E393 K394 R399 T400 A401 | E393-K397 PolarHBondContact O-N 3.49Å; E393-K397 VanDerWaalsContact O-N 3.16Å; K394-K397 PolarHBondContact O-N 3.46Å; K397-R399 VanDerWaalsContact C-N 3.33Å; K397-R399 PolarHBondContact O-N 3.44Å; K397-T400 PolarHBondContact O-OG1 3.18Å; K397-A401 VanDerWaalsContact O-CB 3.31Å; K397-A401 WeakPolarHBondContact O-CB 3.23Å; K397-A401 PolarHBondContact O-N 3.25Å |
| 398 | A | 41.4 | Very low | 46.4 | Very low | 70 Ų | 70 | 106 Ų | 106 | 58% | 0.579 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.6 | -35.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K394 W396 S402 | K394-A398 PolarHBondContact O-N 3.1Å; W396-A398 VanDerWaalsContact C-N 3.31Å; W396-A398 PolarHBondContact O-N 3.44Å; A398-S402 PolarHBondContact O-N 3.24Å |
| 399 | R | 44.4 | Very low | 44.2 | Very low | 147 Ų | 147 | 109.1 Ų | 109.1 | 56% | 0.555 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -84.6 | -33.9 | -178.9 | -70.3 | -176 | 178.4 | 171 | 6.6 | 114 | E362 E395 W396 K397 S402 F403 | E362-R399 IonicContact OE1-CZ 3.59Å; E362-R399 IonicContact OE1-NH1 3.94Å; E362-R399 IonicContact OE1-NH2 2.92Å; E362-R399 PolarHBondContact OE1-NH2 3.44Å; E395-R399 PolarHBondContact O-N 3.28Å; W396-R399 PolarHBondContact O-N 3.14Å; K397-R399 VanDerWaalsContact C-N 3.33Å; K397-R399 PolarHBondContact O-N 3.44Å; R399-S402 PolarHBondContact O-N 3.03Å; R399-F403 PolarHBondContact O-N 3.41Å |
| 400 | T | 45 | Very low | 42.3 | Very low | 54 Ų | 54 | 112.9 Ų | 112.9 | 33% | 0.331 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -71.9 | -34.9 | 174.8 | 54 | 0 | 0 | 0 | 0 | 112.2 | W396 K397 S402 F403 D404 | W396-T400 HydrophobicContact CD2-CG2 4.37Å; W396-T400 HydrophobicContact CH2-CG2 4.29Å; W396-T400 HydrophobicContact CZ2-CG2 3.8Å; W396-T400 PolarHBondContact O-N 3.31Å; W396-T400 VanDerWaalsContact O-N 3.07Å; W396-T400 PolarHBondContact O-OG1 3.25Å; K397-T400 PolarHBondContact O-OG1 3.18Å; T400-S402 VanDerWaalsContact C-N 3.29Å; T400-S402 PolarHBondContact O-N 3.06Å; T400-F403 PolarHBondContact O-N 3.14Å; T400-D404 PolarHBondContact O-N 3.24Å |
| 401 | A | 42.8 | Very low | 41.4 | Very low | 57 Ų | 57 | 110.8 Ų | 110.8 | 47% | 0.471 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.4 | -28.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | K397 F403 S405 | K397-A401 VanDerWaalsContact O-CB 3.31Å; K397-A401 WeakPolarHBondContact O-CB 3.23Å; K397-A401 PolarHBondContact O-N 3.25Å; A401-F403 VanDerWaalsContact C-N 3.29Å; A401-F403 PolarHBondContact O-N 3.42Å; A401-S405 PolarHBondContact O-OG 2.69Å; A401-S405 VanDerWaalsContact O-OG 3.1Å |
| 402 | S | 39.3 | Very low | 40.9 | Very low | 88 Ų | 88 | 112 Ų | 112 | 62% | 0.615 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.4 | -22.3 | 174.9 | -177.2 | 0 | 0 | 0 | 0 | 113.1 | A398 R399 T400 | A398-S402 PolarHBondContact O-N 3.24Å; R399-S402 PolarHBondContact O-N 3.03Å; T400-S402 VanDerWaalsContact C-N 3.29Å; T400-S402 PolarHBondContact O-N 3.06Å |
| 403 | F | 39.7 | Very low | 40.7 | Very low | 176 Ų | 176 | 122.2 Ų | 122.2 | 77% | 0.772 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -91.9 | -24.6 | -178.6 | -147.4 | -93.5 | 0 | 0 | 0 | 112.7 | R399 T400 A401 S405 | R399-F403 PolarHBondContact O-N 3.41Å; T400-F403 PolarHBondContact O-N 3.14Å; A401-F403 VanDerWaalsContact C-N 3.29Å; A401-F403 PolarHBondContact O-N 3.42Å; F403-S405 PolarHBondContact O-N 3.32Å |
| 404 | D | 39.9 | Very low | 41 | Very low | 149 Ų | 149 | 122.1 Ų | 122.1 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 1.1 | 174.2 | -74.9 | -26.7 | 0 | 0 | 0 | 113.7 | T400 | T400-D404 PolarHBondContact O-N 3.24Š|
| 405 | S | 41.1 | Very low | 41.5 | Very low | 96 Ų | 96 | 120 Ų | 120 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 1.1 | -176.3 | -55.2 | 0 | 0 | 0 | 0 | 114.9 | A401 F403 | A401-S405 PolarHBondContact O-OG 2.69Å; A401-S405 VanDerWaalsContact O-OG 3.1Å; F403-S405 PolarHBondContact O-N 3.32Å |
| 406 | Q | 41.2 | Very low | 41.6 | Very low | 181 Ų | 181 | 120.3 Ų | 120.3 | 85% | 0.846 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -136.4 | 116 | 173.4 | -70.1 | -160.3 | 2 | 0 | 0 | 112.2 | ||
| 407 | G | 35 | Very low | 42 | Very low | 70 Ų | 70 | 120.7 Ų | 120.7 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | trans | 114 | 52.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | C409 | G407-C409 VanDerWaalsContact C-N 3.31Å; G407-C409 PolarHBondContact O-N 3.08Å | ||
| 408 | S | 33.9 | Very low | 42.8 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | trans | -70.1 | 92.8 | 150.6 | -75.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 409 | C | 38.8 | Very low | 42.9 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 135.6 | 165.7 | -72 | 0 | 0 | 0 | 0 | 109.7 | G407 | G407-C409 VanDerWaalsContact C-N 3.31Å; G407-C409 PolarHBondContact O-N 3.08Å |
| 410 | P | 37.6 | Very low | 42.8 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -77 | 142.2 | 177 | 31.9 | -33.5 | 0 | 0 | 0 | 111.3 | ||
| 411 | S | 38.6 | Very low | 42.7 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -58 | 142.2 | 175.7 | -51.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 412 | P | 39.7 | Very low | 42.7 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 132.9 | 175.9 | 27.5 | -30.4 | 0 | 0 | 0 | 111.4 | ||
| 413 | R | 45.9 | Very low | 42.9 | Very low | 236 Ų | 236 | 136.1 Ų | 136.1 | 89% | 0.891 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 145.9 | 170.3 | -77.6 | -176.6 | -164.1 | -160.3 | 2.8 | 110.6 | ||
| 414 | P | 46.7 | Very low | 43.1 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 149.4 | 169.6 | 31.1 | -31.8 | 0 | 0 | 0 | 110.7 | ||
| 415 | P | 50.8 | Low | 43.3 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -72 | 141.9 | 176.2 | 29.2 | -31.9 | 0 | 0 | 0 | 110.9 | ||
| 416 | A | 47.7 | Very low | 43.5 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 84% | 0.843 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 122.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 417 | S | 50.8 | Low | 43.7 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 76% | 0.762 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 151.3 | 169.1 | -45.2 | 0 | 0 | 0 | 0 | 110.5 | ||
| 418 | P | 58.9 | Low | 44.5 | Very low | 202 Ų | 202 | 136.9 Ų | 136.9 | 100% | 1.312 | 87% | 0.866 | S | S | * | * | trans | -67.9 | 0 | 177.2 | 28.8 | -34.4 | 0 | 0 | 0 | 113.9 |
Retrieved 418 of 418 residues in 186 ms
(Link to these results)