| 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 | 42.3 | Very low | 46.6 | Very low | 246 Ų | 246 | 151.5 Ų | 151.5 | 100% | 1.212 | 82% | 0.817 | S | S | * | * | 0 | 104.1 | 0 | -162.6 | -175.2 | -59 | 0 | 0 | 106.3 | |||||
| 2 | V | 41.3 | Very low | 46.9 | Very low | 143 Ų | 143 | 152.3 Ų | 152.3 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | -110 | 116.7 | -172.4 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 3 | G | 45.7 | Very low | 47.3 | Very low | 74 Ų | 74 | 149.6 Ų | 149.6 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | trans | -93 | 121.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 4 | H | 45.9 | Very low | 47 | Very low | 195 Ų | 195 | 151.5 Ų | 151.5 | 90% | 0.903 | 83% | 0.828 | S | S | * | * | trans | -76.4 | 119.9 | 164.2 | -109.4 | -81.3 | 0 | 0 | 0 | 108.6 | ||||
| 5 | L | 47.3 | Very low | 46.6 | Very low | 146 Ų | 146 | 153.7 Ų | 153.7 | 76% | 0.764 | 83% | 0.827 | S | S | * | * | trans | -86 | 115.2 | 170.5 | -157.1 | 82 | 0 | 0 | 0 | 108.5 | L7 | L5-L7 HydrophobicContact CD2-CD2 3.86Å; L5-L7 HydrophobicContact CD2-CG 4.24Å; L5-L7 HydrophobicContact CG-CD2 4.41Å | ||
| 6 | H | 44.5 | Very low | 46.6 | Very low | 152 Ų | 152 | 154.6 Ų | 154.6 | 70% | 0.704 | 82% | 0.824 | S | S | * | * | trans | -93.8 | 123 | 170.9 | -158 | 66 | 0 | 0 | 0 | 107.9 | ||||
| 7 | L | 58.3 | Low | 46.1 | Very low | 155 Ų | 155 | 157.8 Ų | 157.8 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | trans | -106.3 | 115 | 174.7 | -66.1 | 178 | 0 | 0 | 0 | 108 | L5 | L5-L7 HydrophobicContact CD2-CD2 3.86Å; L5-L7 HydrophobicContact CD2-CG 4.24Å; L5-L7 HydrophobicContact CG-CD2 4.41Å | ||
| 8 | Q | 48.7 | Very low | 45.7 | Very low | 168 Ų | 168 | 152.9 Ų | 152.9 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | trans | -143.6 | 140.8 | -179.8 | -166.5 | 172.2 | 41.6 | 0 | 0 | 108 | ||||
| 9 | G | 45.4 | Very low | 45.7 | Very low | 57 Ų | 57 | 156.3 Ų | 156.3 | 59% | 0.588 | 83% | 0.826 | S | S | * | * | trans | 90.3 | 74 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E11 | G9-E11 VanDerWaalsContact CA-OE1 3.26Å; G9-E11 WeakPolarHBondContact CA-OE1 3.24Å; G9-E11 PolarHBondContact N-OE1 3.41Å | ||
| 10 | M | 42.4 | Very low | 45.8 | Very low | 187 Ų | 187 | 156.4 Ų | 156.4 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -142.7 | 24.1 | 153.5 | -132 | -173.3 | 84.9 | 0 | 0 | 113.1 | ||||
| 11 | E | 50.8 | Low | 45.9 | Very low | 143 Ų | 143 | 152.2 Ų | 152.2 | 67% | 0.668 | 82% | 0.817 | S | S | * | * | trans | -68.7 | 157.8 | 150.3 | 38.8 | -80.9 | 110 | 0 | 0 | 110.9 | G9 | G9-E11 VanDerWaalsContact CA-OE1 3.26Å; G9-E11 WeakPolarHBondContact CA-OE1 3.24Å; G9-E11 PolarHBondContact N-OE1 3.41Å | ||
| 12 | D | 50.4 | Low | 46.4 | Very low | 161 Ų | 161 | 149 Ų | 149 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | 69.1 | 72.7 | 175 | -55.6 | -27.4 | 0 | 0 | 0 | 118.6 | ||||
| 13 | S | 52.5 | Low | 47 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | -173.5 | 97.2 | 119.2 | -174 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 14 | L | 43.1 | Very low | 47.4 | Very low | 176 Ų | 176 | 153.6 Ų | 153.6 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -143.2 | 74.2 | 162.5 | -129.2 | 171.6 | 0 | 0 | 0 | 110.2 | ||||
| 15 | K | 40.3 | Very low | 47.8 | Very low | 185 Ų | 185 | 149 Ų | 149 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -92.1 | 112.5 | 168.2 | -94.1 | -167 | 170 | -170.1 | 0 | 110.9 | ||||
| 16 | E | 47.2 | Very low | 48.4 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 35.8 | 112.6 | 141 | -57 | 179 | 122.9 | 0 | 0 | 120 | ||||
| 17 | Q | 37.5 | Very low | 48.8 | Very low | 208 Ų | 208 | 147.6 Ų | 147.6 | 97% | 0.972 | 80% | 0.8 | S | S | * | * | -167.7 | 148.6 | 123.2 | -121.8 | 179.7 | 15.4 | 0 | 0 | 113.6 | |||||
| 18 | G | 39 | Very low | 48.6 | Very low | 71 Ų | 71 | 144.8 Ų | 144.8 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | 90.6 | 86.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 19 | R | 45.7 | Very low | 49 | Very low | 216 Ų | 216 | 140.2 Ų | 140.2 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | 67 | 130.2 | 58.2 | -95.7 | -173.9 | -177 | -98.5 | 1.1 | 115.2 | |||||
| 20 | E | 47.6 | Very low | 49.5 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | 32.8 | 114.4 | 177.2 | 44.5 | -86.8 | -179.9 | 0 | 0 | 121 | ||||
| 21 | G | 47.9 | Very low | 50.2 | Low | 69 Ų | 69 | 140.9 Ų | 140.9 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -178.8 | 59.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L23 | G21-L23 PolarHBondContact O-N 3.02Š| ||
| 22 | L | 52.8 | Low | 50.5 | Low | 178 Ų | 178 | 140.1 Ų | 140.1 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | trans | -67.2 | 95.1 | 171.1 | 175.4 | 66 | 0 | 0 | 0 | 109.3 | ||||
| 23 | L | 54.3 | Low | 50.7 | Low | 155 Ų | 155 | 137.8 Ų | 137.8 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -119.5 | 118.8 | 172.8 | -69.6 | 178.8 | 0 | 0 | 0 | 110.2 | G21 | G21-L23 PolarHBondContact O-N 3.02Š| ||
| 24 | D | 52.7 | Low | 50.8 | Low | 159 Ų | 159 | 138.2 Ų | 138.2 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60 | 132.8 | 179.6 | -161.3 | 9.8 | 0 | 0 | 0 | 110.6 | ||
| 25 | S | 55.1 | Low | 51 | Low | 99 Ų | 99 | 134.8 Ų | 134.8 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 125.6 | 179.7 | -67.1 | 0 | 0 | 0 | 0 | 108.9 | D27 | S25-D27 PolarHBondContact O-N 3.1Å; S25-D27 VanDerWaalsContact O-N 3.11Å |
| 26 | P | 60 | Low | 51.4 | Low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119.1 | -179.6 | 25.4 | -33.1 | 0 | 0 | 0 | 110.2 | S28 | P26-S28 PolarHBondContact O-N 3.19Š|
| 27 | D | 52.4 | Low | 51.4 | Low | 153 Ų | 153 | 129.5 Ų | 129.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -51.2 | 112.5 | 174.7 | -176.6 | 13.4 | 0 | 0 | 0 | 109.9 | S25 G29 | S25-D27 PolarHBondContact O-N 3.1Å; S25-D27 VanDerWaalsContact O-N 3.11Å; D27-G29 VanDerWaalsContact C-N 3.31Å; D27-G29 PolarHBondContact O-N 3.04Å | ||
| 28 | S | 55.8 | Low | 51.8 | Low | 96 Ų | 96 | 124.8 Ų | 124.8 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | trans | -81.5 | 84.3 | -178.1 | -69.9 | 0 | 0 | 0 | 0 | 108.7 | P26 L30 | P26-S28 PolarHBondContact O-N 3.19Å; S28-L30 PolarHBondContact O-N 3.32Å | ||
| 29 | G | 56.6 | Low | 52.4 | Low | 72 Ų | 72 | 126.1 Ų | 126.1 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -61.3 | 69.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | D27 | D27-G29 VanDerWaalsContact C-N 3.31Å; D27-G29 PolarHBondContact O-N 3.04Å | ||
| 30 | L | 54.6 | Low | 52 | Low | 149 Ų | 149 | 126.1 Ų | 126.1 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -98 | 128.1 | 166.1 | -65.3 | 176.6 | 0 | 0 | 0 | 108.2 | S28 | S28-L30 PolarHBondContact O-N 3.32Š|
| 31 | P | 58.3 | Low | 51.6 | Low | 109 Ų | 109 | 128.4 Ų | 128.4 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 146.7 | 171.2 | 28.6 | -33.9 | 0 | 0 | 0 | 109.6 | S33 | P31-S33 PolarHBondContact O-N 2.91Š|
| 32 | P | 56.4 | Low | 51.2 | Low | 126 Ų | 126 | 130.9 Ų | 130.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 130.7 | 178.5 | 25.3 | -33.9 | 0 | 0 | 0 | 110.4 | ||
| 33 | S | 55.4 | Low | 50.5 | Low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 132.5 | 175.4 | -54.5 | 0 | 0 | 0 | 0 | 110.4 | P31 S35 | P31-S33 PolarHBondContact O-N 2.91Å; S33-S35 PolarHBondContact O-N 3.13Å |
| 34 | P | 53 | Low | 49.8 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 133.4 | 175 | 25.7 | -33 | 0 | 0 | 0 | 110.1 | ||
| 35 | S | 49 | Very low | 49.6 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -67 | 153.7 | -179.4 | 46 | 0 | 0 | 0 | 0 | 112.2 | S33 S37 | S33-S35 PolarHBondContact O-N 3.13Å; S35-S37 PolarHBondContact O-N 3.4Å |
| 36 | P | 47.5 | Very low | 48.6 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 119.9 | 179.1 | 29 | -33.7 | 0 | 0 | 0 | 111 | ||
| 37 | S | 47.8 | Very low | 47.4 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 138.5 | 170.7 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | S35 | S35-S37 PolarHBondContact O-N 3.4Š|
| 38 | P | 45.8 | Very low | 46.6 | Very low | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 159.2 | 178.9 | 30.5 | -35.1 | 0 | 0 | 0 | 112.3 | ||
| 39 | P | 51.3 | Low | 45.5 | Very low | 99 Ų | 99 | 129 Ų | 129 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74 | 134.7 | -173.3 | 29.7 | -35.4 | 0 | 0 | 0 | 112.7 | Y41 | P39-Y41 HydrophobicContact CB-CE2 4.46Å; P39-Y41 HydrophobicContact CG-CD2 4.24Å; P39-Y41 HydrophobicContact CG-CE2 3.88Å; P39-Y41 PolarHBondContact O-N 2.85Å; P39-Y41 VanDerWaalsContact O-N 3.09Å |
| 40 | F | 36.5 | Very low | 44.3 | Very low | 215 Ų | 215 | 129 Ų | 129 | 94% | 0.943 | 78% | 0.781 | S | S | * | * | trans | -68.3 | 101.9 | 165.2 | -81.9 | -89.1 | 0 | 0 | 0 | 110 | ||||
| 41 | Y | 40.9 | Very low | 43.3 | Very low | 207 Ų | 207 | 133.6 Ų | 133.6 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 133.4 | 161.2 | -82 | -83.8 | 0 | 0 | 0 | 110 | P39 | P39-Y41 HydrophobicContact CB-CE2 4.46Å; P39-Y41 HydrophobicContact CG-CD2 4.24Å; P39-Y41 HydrophobicContact CG-CE2 3.88Å; P39-Y41 PolarHBondContact O-N 2.85Å; P39-Y41 VanDerWaalsContact O-N 3.09Å |
| 42 | S | 38.6 | Very low | 41.9 | Very low | 121 Ų | 121 | 133 Ų | 133 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 130.4 | 179.7 | -48.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 43 | L | 39.1 | Very low | 40.6 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 122 | 165.8 | -73.5 | 169.5 | 0 | 0 | 0 | 109.8 | ||
| 44 | A | 38.4 | Very low | 39.3 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 156.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 45 | P | 49.7 | Very low | 38.3 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 138 | -163.3 | 33.3 | -35 | 0 | 0 | 0 | 114.6 | ||
| 46 | G | 33 | Very low | 37.3 | Very low | 62 Ų | 62 | 127.3 Ų | 127.3 | 64% | 0.639 | 80% | 0.803 | S | S | * | * | trans | -156.8 | 114 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 47 | I | 35.3 | Very low | 36.6 | Very low | 157 Ų | 157 | 126.5 Ų | 126.5 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | 80.6 | 120.3 | 80.6 | -75 | 174.9 | 0 | 0 | 0 | 111.9 | |||||
| 48 | L | 35.5 | Very low | 35.8 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | 67.6 | 147.9 | 171.1 | -63.3 | 163.8 | 0 | 0 | 0 | 116.9 | ||||
| 49 | D | 31.7 | Very low | 35.2 | Very low | 138 Ų | 138 | 126 Ų | 126 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | cis | -166 | 169.2 | -30.4 | -149.3 | -21.9 | 0 | 0 | 0 | 109.3 | ||||
| 50 | A | 32.7 | Very low | 34.3 | Very low | 74 Ų | 74 | 129.7 Ų | 129.7 | 61% | 0.612 | 81% | 0.814 | S | S | * | * | trans | 69.7 | 125.5 | 149.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 51 | R | 32.2 | Very low | 35.1 | Very low | 245 Ų | 245 | 124 Ų | 124 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | trans | 81.4 | 141.3 | 151.3 | -66.8 | 179.8 | 175.5 | 165.1 | -0.1 | 119.7 | ||||
| 52 | A | 29.1 | Very low | 35.2 | Very low | 96 Ų | 96 | 120.3 Ų | 120.3 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | cis | -166.9 | 154.1 | -14 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 53 | G | 29.4 | Very low | 34.8 | Very low | 87 Ų | 87 | 117.7 Ų | 117.7 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | 82.9 | 135.6 | 170 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 54 | G | 28.8 | Very low | 34.8 | Very low | 81 Ų | 81 | 115.5 Ų | 115.5 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | cis | 155.7 | 161.4 | 5.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 55 | A | 31.2 | Very low | 34.5 | Very low | 109 Ų | 109 | 115.5 Ų | 115.5 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | cis | -160.4 | 173.1 | -6.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 56 | G | 29.6 | Very low | 33.7 | Very low | 74 Ų | 74 | 117.6 Ų | 117.6 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 105 | 88.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 57 | A | 32.9 | Very low | 34.2 | Very low | 108 Ų | 108 | 119.6 Ų | 119.6 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | cis | 91.4 | 106.6 | 48.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 58 | S | 31 | Very low | 34 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -150.7 | 110.1 | 146.4 | -169.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 59 | S | 32.8 | Very low | 34 | Very low | 101 Ų | 101 | 120.7 Ų | 120.7 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -8.7 | 128.6 | 160 | 48.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 60 | E | 32.1 | Very low | 34.8 | Very low | 176 Ų | 176 | 119.4 Ų | 119.4 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | cis | 79.1 | 156.2 | 40 | -143 | -146.6 | 126.1 | 0 | 0 | 114.1 | ||||
| 61 | P | 54 | Low | 35.6 | Very low | 95 Ų | 95 | 121 Ų | 121 | 62% | 0.617 | 80% | 0.799 | S | S | * | * | -106.6 | -119.8 | -77 | 40.2 | -28.4 | 0 | 0 | 0 | 110.2 | |||||
| 62 | P | 43 | Very low | 35.9 | Very low | 130 Ų | 130 | 115.2 Ų | 115.2 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | cis | -70.2 | -170 | -19 | -17 | 34.4 | 0 | 0 | 0 | 114.1 | ||||
| 63 | G | 28.8 | Very low | 37.1 | Very low | 67 Ų | 67 | 120 Ų | 120 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | cis | 178.3 | 159 | -5.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 64 | P | 39.4 | Very low | 37.8 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -105.1 | 156.5 | -157.3 | 39.6 | -35.2 | 0 | 0 | 0 | 115.8 | ||||
| 65 | S | 31.6 | Very low | 38.7 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | trans | 168.6 | 113.4 | 132.7 | -101.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 66 | E | 32.8 | Very low | 39.3 | Very low | 181 Ų | 181 | 127.7 Ų | 127.7 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | 97.1 | 145.5 | 84.5 | -85.2 | -178.6 | 123.4 | 0 | 0 | 112.3 | |||||
| 67 | A | 43.8 | Very low | 39.9 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -71.1 | 131.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 68 | R | 31.4 | Very low | 40.9 | Very low | 249 Ų | 249 | 130.3 Ų | 130.3 | 94% | 0.94 | 79% | 0.789 | S | S | * | * | trans | -152.9 | 143.9 | 142.7 | -132.4 | 165.3 | 177.8 | 162.2 | -1.9 | 112.8 | ||||
| 69 | A | 36.5 | Very low | 42.2 | Very low | 86 Ų | 86 | 129.6 Ų | 129.6 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -81.1 | -169.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 70 | P | 48.3 | Very low | 43.2 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | -126.1 | 178.8 | -59 | 32 | -16 | 0 | 0 | 0 | 112.3 | |||||
| 71 | S | 49.4 | Very low | 44.3 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 49.5 | 122.7 | 145.1 | 62.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 72 | S | 38.3 | Very low | 44.6 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -154.9 | 143.8 | 133.1 | 44.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 73 | Q | 53.3 | Low | 45.5 | Very low | 195 Ų | 195 | 135.9 Ų | 135.9 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | -93 | 154.5 | -174.2 | -64.9 | 164.6 | -47.7 | 0 | 0 | 111.1 | ||||
| 74 | L | 44.2 | Very low | 47.2 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -123.5 | 150.5 | 167.8 | -109.2 | 120.2 | 0 | 0 | 0 | 110.9 | ||||
| 75 | P | 48.3 | Very low | 48.9 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 148.8 | -170.3 | -7 | 26.6 | 0 | 0 | 0 | 113.3 | ||
| 76 | N | 43.1 | Very low | 51.3 | Low | 157 Ų | 157 | 138 Ų | 138 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 145 | 178.9 | -77 | -28.1 | 0 | 0 | 0 | 113.4 | ||
| 77 | P | 42.8 | Very low | 53.7 | Low | 111 Ų | 111 | 133.6 Ų | 133.6 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 162.3 | 170.7 | 34.1 | -34.8 | 0 | 0 | 0 | 112.8 | ||
| 78 | P | 54.3 | Low | 55.4 | Low | 127 Ų | 127 | 131.6 Ų | 131.6 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 154.7 | -175.6 | 28.8 | -35.4 | 0 | 0 | 0 | 114 | ||
| 79 | A | 57.3 | Low | 58 | Low | 98 Ų | 98 | 124 Ų | 124 | 81% | 0.81 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 139 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 80 | P | 54.9 | Low | 60.3 | Low | 105 Ų | 105 | 125 Ų | 125 | 68% | 0.682 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 149.3 | 173.5 | 33.2 | -34.5 | 0 | 0 | 0 | 112.1 | M82 | P80-M82 PolarHBondContact O-N 3.4Š|
| 81 | E | 54.8 | Low | 62 | Low | 193 Ų | 193 | 126.4 Ų | 126.4 | 90% | 0.902 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 127.9 | 179.9 | -62.3 | 178.7 | 159 | 0 | 0 | 112.9 | R83 | E81-R83 PolarHBondContact O-N 2.89Å; E81-R83 VanDerWaalsContact O-N 3.15Å |
| 82 | M | 60.3 | Low | 63.9 | Low | 120 Ų | 120 | 122 Ų | 122 | 59% | 0.591 | 66% | 0.658 | S | S | * | * | trans | -77.1 | 103.2 | 178.6 | -83.5 | -159.9 | 155.7 | 0 | 0 | 111.3 | P80 | P80-M82 PolarHBondContact O-N 3.4Š| ||
| 83 | R | 62.2 | Low | 66.4 | Low | 217 Ų | 217 | 124.6 Ų | 124.6 | 82% | 0.819 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 137.6 | 152.6 | -68.1 | -179 | 179.6 | 156 | 2.5 | 108.4 | E81 R85 | E81-R83 PolarHBondContact O-N 2.89Å; E81-R83 VanDerWaalsContact O-N 3.15Å; R83-R85 VanDerWaalsContact O-CG 3.25Å; R83-R85 WeakPolarHBondContact O-CG 3.45Å; R83-R85 PolarHBondContact O-N 2.86Å; R83-R85 VanDerWaalsContact O-N 3.11Å |
| 84 | P | 65.2 | Low | 67.9 | Low | 78 Ų | 78 | 118.5 Ų | 118.5 | 51% | 0.506 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 119 | -176.3 | 26.5 | -35.5 | 0 | 0 | 0 | 109.5 | L202 C203 | P84-L202 HydrophobicContact CB-CD1 3.84Å; P84-L202 HydrophobicContact CB-CD2 4.42Å; P84-L202 HydrophobicContact CB-CG 4.08Å; P84-L202 HydrophobicContact CG-CD1 4.28Å; P84-C203 WeakPolarHBondContact CB-O 3.29Å |
| 85 | R | 73.8 | Confident | 69.8 | Low | 141 Ų | 141 | 116 Ų | 116 | 53% | 0.532 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -91.2 | 132.7 | -172.1 | -57.2 | -168.7 | -179.4 | -147.6 | 0.1 | 109.3 | R83 L87 C203 | R83-R85 VanDerWaalsContact O-CG 3.25Å; R83-R85 WeakPolarHBondContact O-CG 3.45Å; R83-R85 PolarHBondContact O-N 2.86Å; R83-R85 VanDerWaalsContact O-N 3.11Å; R85-L87 HydrophobicContact CB-CD2 4.46Å; R85-L87 PolarHBondContact O-N 3.34Å; R85-C203 VanDerWaalsContact O-CB 3.24Å; R85-C203 WeakPolarHBondContact O-CB 3.39Å; R85-C203 PolarHBondContact O-N 3.09Å |
| 86 | M | 81.8 | Confident | 71.7 | Confident | 113 Ų | 113 | 116.4 Ų | 116.4 | 56% | 0.557 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.9 | 116.4 | 167.4 | -68.1 | -159.8 | 87.1 | 0 | 0 | 108.6 | L200 Q201 L202 | M86-L200 HydrophobicContact CB-CB 4.18Å; M86-L200 HydrophobicContact CB-CD1 4.33Å; M86-L200 HydrophobicContact CE-CB 3.7Å; M86-L200 HydrophobicContact SD-CB 4.47Å; M86-L200 HydrophobicContact SD-CD1 4.49Å; M86-Q201 WeakPolarHBondContact CA-O 3.43Å; M86-L202 HydrophobicContact CG-CD1 4.16Å |
| 87 | L | 83.2 | Confident | 73.6 | Confident | 88 Ų | 88 | 113.3 Ų | 113.3 | 46% | 0.461 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.1 | 140.5 | 177.4 | -63.3 | -179.8 | 0 | 0 | 0 | 109.5 | R85 V89 L200 Q201 C203 | R85-L87 HydrophobicContact CB-CD2 4.46Å; R85-L87 PolarHBondContact O-N 3.34Å; L87-V89 PolarHBondContact O-N 3.11Å; L87-L200 CarbonylContact O-C 3.6Å; L87-L200 WeakPolarHBondContact O-CA 3.26Å; L87-Q201 PolarHBondContact N-O 2.98Å; L87-Q201 PolarHBondContact O-N 3.06Å; L87-C203 HydrophobicContact CD1-CB 3.83Å; L87-C203 HydrophobicContact CG-CB 4.09Å |
| 88 | P | 80.6 | Confident | 75.2 | Confident | 60 Ų | 60 | 110.5 Ų | 110.5 | 39% | 0.39 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70 | 126.2 | 173.3 | 30.1 | -33.4 | 0 | 0 | 0 | 110.3 | F91 V198 Q199 L200 | P88-F91 HydrophobicContact CB-CE1 4.08Å; P88-F91 HydrophobicContact CB-CE2 3.61Å; P88-F91 HydrophobicContact CB-CZ 3.36Å; P88-F91 HydrophobicContact CG-CE1 4.5Å; P88-F91 HydrophobicContact CG-CE2 3.87Å; P88-F91 HydrophobicContact CG-CZ 3.5Å; P88-F91 VanDerWaalsContact CG-CZ 3.5Å; P88-V198 HydrophobicContact CB-CG1 3.79Å; P88-Q199 WeakPolarHBondContact CA-O 3.31Å; P88-L200 HydrophobicContact CB-CD2 3.8Å |
| 89 | V | 85 | Confident | 76 | Confident | 90 Ų | 90 | 109.5 Ų | 109.5 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.4 | -27 | 179.5 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | L87 Q199 Q201 | L87-V89 PolarHBondContact O-N 3.11Å; V89-Q199 PolarHBondContact N-O 2.98Å; V89-Q201 HydrophobicContact CB-CB 4.33Å; V89-Q201 HydrophobicContact CG2-CB 3.41Å; V89-Q201 VanDerWaalsContact CG2-CB 3.41Å; V89-Q201 HydrophobicContact CG2-CG 4.49Å |
| 90 | F | 86.1 | Confident | 76.6 | Confident | 106 Ų | 106 | 107.9 Ų | 107.9 | 47% | 0.465 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 137.3 | 174.8 | -173.6 | -100.5 | 0 | 0 | 0 | 111.2 | V198 Q199 | F90-V198 CarbonylContact O-C 3.59Å; F90-V198 WeakPolarHBondContact O-CA 3.44Å; F90-Q199 HydrophobicContact CB-CB 4.02Å; F90-Q199 HydrophobicContact CB-CG 4.22Å; F90-Q199 HydrophobicContact CD1-CG 4.47Å; F90-Q199 PolarHBondContact N-O 3.11Å; F90-Q199 PolarHBondContact O-N 2.81Å |
| 91 | F | 83.8 | Confident | 77.2 | Confident | 142 Ų | 142 | 106.6 Ų | 106.6 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.3 | 168.9 | -64.1 | -92.8 | 0 | 0 | 0 | 107.7 | P88 V198 | P88-F91 HydrophobicContact CB-CE1 4.08Å; P88-F91 HydrophobicContact CB-CE2 3.61Å; P88-F91 HydrophobicContact CB-CZ 3.36Å; P88-F91 HydrophobicContact CG-CE1 4.5Å; P88-F91 HydrophobicContact CG-CE2 3.87Å; P88-F91 HydrophobicContact CG-CZ 3.5Å; P88-F91 VanDerWaalsContact CG-CZ 3.5Å; F91-V198 HydrophobicContact CD1-CG1 4.13Å; F91-V198 HydrophobicContact CD1-CG2 3.81Å; F91-V198 HydrophobicContact CE1-CG1 3.96Å; F91-V198 HydrophobicContact CE1-CG2 4.09Å |
| 92 | G | 88.1 | Confident | 77.8 | Confident | 15 Ų | 15 | 103.7 Ų | 103.7 | 16% | 0.155 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 113.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | A196 S197 | G92-A196 CarbonylContact O-C 3.54Å; G92-S197 PolarHBondContact N-O 2.92Å; G92-S197 PolarHBondContact O-N 2.88Å; G92-S197 PolarHBondContact O-OG 2.91Å |
| 93 | E | 90.7 | Very high | 78.5 | Confident | 179 Ų | 179 | 102.9 Ų | 102.9 | 84% | 0.836 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 137.7 | 168.2 | -65.8 | -176.2 | 176.9 | 0 | 0 | 109.4 | A196 | E93-A196 HydrophobicContact CG-CB 4.45Å |
| 94 | S | 84.8 | Confident | 79.1 | Confident | 66 Ų | 66 | 97.9 Ų | 97.9 | 46% | 0.462 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 146.1 | 176.3 | 60 | 0 | 0 | 0 | 0 | 111 | T195 | S94-T195 PolarHBondContact N-O 3.15Å; S94-T195 PolarHBondContact O-N 3.38Å; S94-T195 PolarHBondContact OG-O 2.84Å |
| 95 | I | 85.8 | Confident | 79.6 | Confident | 112 Ų | 112 | 99.4 Ų | 99.4 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 117.4 | 177.7 | -51.6 | 177.7 | 0 | 0 | 0 | 107 | V97 W193 F194 | I95-V97 HydrophobicContact CG2-CG2 3.89Å; I95-W193 WeakPolarHBondContact CA-O 3.29Å; I95-F194 HydrophobicContact CD1-CD1 4.16Å; I95-F194 HydrophobicContact CD1-CE1 3.89Å; I95-F194 HydrophobicContact CG1-CD1 3.87Å; I95-F194 HydrophobicContact CG1-CE1 4.06Å; I95-F194 HydrophobicContact CG2-CD1 4.31Å; I95-F194 HydrophobicContact CG2-CE1 4.09Å |
| 96 | K | 87.4 | Confident | 80 | Confident | 127 Ų | 127 | 99.5 Ų | 99.5 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.4 | 171.2 | -177.1 | 170.5 | 177.1 | -176 | 0 | 108.9 | C192 W193 | K96-C192 WeakPolarHBondContact O-CA 3.45Å; K96-W193 HydrophobicContact CB-CE3 4.16Å; K96-W193 HydrophobicContact CD-CE3 3.83Å; K96-W193 HydrophobicContact CD-CZ3 3.93Å; K96-W193 HydrophobicContact CG-CE3 3.94Å; K96-W193 HydrophobicContact CG-CZ3 4.3Å; K96-W193 PolarHBondContact N-O 3.44Å; K96-W193 PolarHBondContact O-N 2.88Å |
| 97 | V | 83.1 | Confident | 79.9 | Confident | 92 Ų | 92 | 98.5 Ų | 98.5 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.7 | 176.9 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | I95 | I95-V97 HydrophobicContact CG2-CG2 3.89Å |
| 98 | N | 76 | Confident | 79.9 | Confident | 52 Ų | 52 | 96.8 Ų | 96.8 | 28% | 0.278 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 103.4 | 164.8 | -45.3 | -59.4 | 0 | 0 | 0 | 107.5 | S191 W193 | N98-S191 PolarHBondContact N-O 2.89Å; N98-S191 PolarHBondContact ND2-OG 3.19Å; N98-S191 PolarHBondContact O-N 3.34Å; N98-W193 WeakPolarHBondContact ND2-CH2 3.36Å; N98-W193 WeakPolarHBondContact ND2-CZ3 3.4Å |
| 99 | P | 71.2 | Confident | 79.9 | Confident | 106 Ų | 106 | 98.6 Ų | 98.6 | 69% | 0.688 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 153.8 | 174.6 | 28.4 | -33.8 | 0 | 0 | 0 | 111.1 | ||
| 100 | E | 70.4 | Confident | 79.8 | Confident | 63 Ų | 63 | 99.1 Ų | 99.1 | 29% | 0.294 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 147.1 | 167.9 | -174.2 | -172.4 | 178.4 | 0 | 0 | 110.1 | T102 H103 | E100-T102 PolarHBondContact O-N 2.88Å; E100-H103 VanDerWaalsContact CD-NE2 3.34Å; E100-H103 IonicContact OE1-CD2 3.86Å; E100-H103 IonicContact OE1-CE1 2.8Å; E100-H103 IonicContact OE1-NE2 2.73Å; E100-H103 PolarHBondContact OE1-NE2 2.89Å; E100-H103 IonicContact OE2-NE2 3.63Å |
| 101 | P | 66.5 | Low | 79.6 | Confident | 79 Ų | 79 | 98 Ų | 98 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 135.6 | 170.7 | -19.3 | 31 | 0 | 0 | 0 | 111.3 | H103 | P101-H103 PolarHBondContact O-N 2.8Š|
| 102 | T | 68.6 | Low | 79.4 | Confident | 132 Ų | 132 | 95.9 Ų | 95.9 | 81% | 0.81 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 131.7 | 179.9 | -48.9 | 0 | 0 | 0 | 0 | 111.5 | E100 E104 | E100-T102 PolarHBondContact O-N 2.88Å; T102-E104 PolarHBondContact O-N 2.88Å; T102-E104 VanDerWaalsContact O-N 3.15Å |
| 103 | H | 73.6 | Confident | 78.7 | Confident | 102 Ų | 102 | 102.4 Ų | 102.4 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | trans | -65.7 | 113 | 176.9 | -63.1 | 178.8 | 0 | 0 | 0 | 110.1 | E100 P101 | E100-H103 VanDerWaalsContact CD-NE2 3.34Å; E100-H103 IonicContact OE1-CD2 3.86Å; E100-H103 IonicContact OE1-CE1 2.8Å; E100-H103 IonicContact OE1-NE2 2.73Å; E100-H103 PolarHBondContact OE1-NE2 2.89Å; E100-H103 IonicContact OE2-NE2 3.63Å; P101-H103 PolarHBondContact O-N 2.8Å | ||
| 104 | E | 75.8 | Confident | 77.7 | Confident | 113 Ų | 113 | 96.2 Ų | 96.2 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 113.3 | 179.5 | -166.4 | -171.6 | 151.8 | 0 | 0 | 110.3 | T102 H184 | T102-E104 PolarHBondContact O-N 2.88Å; T102-E104 VanDerWaalsContact O-N 3.15Å; E104-H184 HydrophobicContact CB-CB 4.45Å; E104-H184 PolarHBondContact N-O 2.89Å; E104-H184 PolarHBondContact O-N 2.89Å |
| 105 | I | 76.5 | Confident | 77.1 | Confident | 110 Ų | 110 | 93.8 Ų | 93.8 | 56% | 0.564 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 108.2 | 169.3 | -56.4 | 179 | 0 | 0 | 0 | 107.7 | T181 L183 | I105-T181 HydrophobicContact CG2-CG2 4.32Å; I105-L183 HydrophobicContact CD1-CD1 4.31Å; I105-L183 HydrophobicContact CG1-CD1 4.2Å |
| 106 | R | 81.9 | Confident | 76.3 | Confident | 142 Ų | 142 | 96 Ų | 96 | 54% | 0.536 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 107.3 | -179.1 | -171.3 | 178.4 | 166.5 | 158.5 | 0.7 | 111.4 | N108 T182 | R106-N108 PolarHBondContact NE-OD1 2.87Å; R106-N108 PolarHBondContact NH2-OD1 2.88Å; R106-T182 PolarHBondContact N-O 3.13Å; R106-T182 PolarHBondContact O-N 2.66Å |
| 107 | C | 79.5 | Confident | 75.2 | Confident | 93 Ų | 93 | 96 Ų | 96 | 63% | 0.628 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 127.7 | 170.8 | -62.4 | 0 | 0 | 0 | 0 | 110 | ||
| 108 | N | 83.7 | Confident | 74.6 | Confident | 51 Ų | 51 | 97.3 Ų | 97.3 | 27% | 0.273 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.4 | 171.8 | -47.1 | -98.1 | 0 | 0 | 0 | 108.4 | R106 R180 | R106-N108 PolarHBondContact NE-OD1 2.87Å; R106-N108 PolarHBondContact NH2-OD1 2.88Å; N108-R180 PolarHBondContact N-O 3.44Å; N108-R180 PolarHBondContact ND2-O 3.31Å; N108-R180 PolarHBondContact O-N 3.29Å |
| 109 | S | 79.3 | Confident | 74.2 | Confident | 98 Ų | 98 | 100.9 Ų | 100.9 | 69% | 0.685 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 134.2 | 170 | 48.4 | 0 | 0 | 0 | 0 | 109.4 | ||
| 110 | E | 84.1 | Confident | 74.1 | Confident | 101 Ų | 101 | 100.9 Ų | 100.9 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 123.8 | -178.8 | -165.2 | -174.7 | 174.8 | 0 | 0 | 109.8 | K112 T178 | E110-K112 VanDerWaalsContact CD-NZ 3.33Å; E110-K112 HydrophobicContact CG-CG 4.4Å; E110-K112 WeakPolarHBondContact OE1-CE 3.25Å; E110-K112 IonicContact OE1-NZ 3.54Å; E110-K112 PolarHBondContact OE1-NZ 3.15Å; E110-K112 WeakPolarHBondContact OE2-CE 3.36Å; E110-K112 IonicContact OE2-NZ 3.35Å; E110-K112 PolarHBondContact OE2-NZ 3.38Å; E110-T178 PolarHBondContact N-O 3.37Å; E110-T178 PolarHBondContact O-N 2.94Å |
| 111 | V | 81.9 | Confident | 74 | Confident | 82 Ų | 82 | 101.6 Ų | 101.6 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 112.1 | 174.8 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | Y113 A175 | V111-Y113 HydrophobicContact CG1-CE2 3.97Å; V111-A175 HydrophobicContact CG1-CB 4.17Å |
| 112 | K | 79.8 | Confident | 74.2 | Confident | 98 Ų | 98 | 103.3 Ų | 103.3 | 43% | 0.426 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 129.8 | 176.2 | -70.1 | -179.5 | 177.4 | 157.1 | 0 | 110.1 | E110 R176 | E110-K112 VanDerWaalsContact CD-NZ 3.33Å; E110-K112 HydrophobicContact CG-CG 4.4Å; E110-K112 WeakPolarHBondContact OE1-CE 3.25Å; E110-K112 IonicContact OE1-NZ 3.54Å; E110-K112 PolarHBondContact OE1-NZ 3.15Å; E110-K112 WeakPolarHBondContact OE2-CE 3.36Å; E110-K112 IonicContact OE2-NZ 3.35Å; E110-K112 PolarHBondContact OE2-NZ 3.38Å; K112-R176 PolarHBondContact N-O 3.48Å; K112-R176 WeakPolarHBondContact O-CA 3.42Å; K112-R176 WeakPolarHBondContact O-CB 3.46Å; K112-R176 PolarHBondContact O-N 2.91Å |
| 113 | Y | 71.8 | Confident | 74.5 | Confident | 152 Ų | 152 | 99 Ų | 99 | 60% | 0.596 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 118 | 171.5 | -68 | -87.1 | 0 | 0 | 0 | 109.9 | V111 K173 H174 A175 | V111-Y113 HydrophobicContact CG1-CE2 3.97Å; Y113-K173 HydrophobicContact CD1-CB 4.39Å; Y113-H174 WeakPolarHBondContact CA-O 3.49Å; Y113-A175 HydrophobicContact CD1-CB 4.2Å; Y113-A175 HydrophobicContact CE1-CB 3.76Å |
| 114 | A | 70.9 | Confident | 74.9 | Confident | 50 Ų | 50 | 100 Ų | 100 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 157.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | K173 H174 | A114-K173 WeakPolarHBondContact O-CA 3.22Å; A114-H174 PolarHBondContact N-O 3.43Å; A114-H174 PolarHBondContact O-N 3.04Å |
| 115 | S | 72.1 | Confident | 75.2 | Confident | 14 Ų | 14 | 101.9 Ų | 101.9 | 10% | 0.098 | 50% | 0.495 | C | S | . | . | trans | -109.8 | 157.5 | 162.8 | 60.3 | 0 | 0 | 0 | 0 | 110.5 | K117 I170 P172 | S115-K117 WeakPolarHBondContact CB-O 3.03Å; S115-K117 PolarHBondContact OG-O 3.39Å; S115-I170 WeakPolarHBondContact OG-CB 3.46Å; S115-I170 WeakPolarHBondContact OG-CG1 3.49Å; S115-I170 WeakPolarHBondContact OG-CG2 3.03Å; S115-P172 WeakPolarHBondContact CB-O 3.42Å | ||
| 116 | E | 67.7 | Low | 75.8 | Confident | 158 Ų | 158 | 99 Ų | 99 | 74% | 0.738 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -76.2 | -30 | 168.9 | -56.7 | 176 | 164.8 | 0 | 0 | 111.4 | ||
| 117 | K | 65.9 | Low | 76.2 | Confident | 128 Ų | 128 | 96.9 Ų | 96.9 | 56% | 0.557 | 49% | 0.487 | S | S | * | . | trans | -112.6 | 136 | -173.1 | -63.8 | 176.6 | -175.7 | 173.4 | 0 | 111.3 | S115 F119 | S115-K117 WeakPolarHBondContact CB-O 3.03Å; S115-K117 PolarHBondContact OG-O 3.39Å; K117-F119 HydrophobicContact CB-CE2 4.23Å | ||
| 118 | H | 69.2 | Low | 76.7 | Confident | 120 Ų | 120 | 94.3 Ų | 94.3 | 56% | 0.556 | 47% | 0.468 | S | S | * | . | trans | -122 | 116.1 | 178 | -66.1 | 79 | 0 | 0 | 0 | 109.1 | ||||
| 119 | F | 67.3 | Low | 77.2 | Confident | 126 Ų | 126 | 96.3 Ų | 96.3 | 55% | 0.553 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 132.5 | 173.2 | -66.4 | -86.1 | 0 | 0 | 0 | 110.7 | K117 T167 | K117-F119 HydrophobicContact CB-CE2 4.23Å; F119-T167 WeakPolarHBondContact O-CG2 3.46Å |
| 120 | Q | 69.9 | Low | 77.8 | Confident | 106 Ų | 106 | 94.1 Ų | 94.1 | 50% | 0.495 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.2 | 171.3 | -67.8 | 176.7 | -7.3 | 0 | 0 | 108.7 | V123 T167 | Q120-V123 HydrophobicContact CB-CG2 4.15Å; Q120-T167 HydrophobicContact CG-CG2 4Å |
| 121 | D | 68.9 | Low | 78.3 | Confident | 79 Ų | 79 | 93.1 Ų | 93.1 | 42% | 0.422 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 156.9 | 177.6 | 179.7 | 32.9 | 0 | 0 | 0 | 110.3 | V123 S166 | D121-V123 PolarHBondContact O-N 2.92Å; D121-S166 PolarHBondContact N-O 2.97Å; D121-S166 VanDerWaalsContact O-O 3.1Å |
| 122 | K | 69.8 | Low | 78.9 | Confident | 115 Ų | 115 | 91.8 Ų | 91.8 | 50% | 0.5 | 46% | 0.459 | S | S | . | . | trans | 55.9 | 47.6 | 178.4 | -58.6 | 170.4 | -175.4 | 83.9 | 0 | 113.5 | F124 | K122-F124 HydrophobicContact CB-CE2 3.99Å; K122-F124 HydrophobicContact CB-CZ 4.46Å; K122-F124 WeakPolarHBondContact O-CD2 3.41Å; K122-F124 WeakPolarHBondContact O-CE2 3.09Å; K122-F124 PolarHBondContact O-N 2.81Å | ||
| 123 | V | 74.1 | Confident | 79.6 | Confident | 42 Ų | 42 | 89.4 Ų | 89.4 | 26% | 0.255 | 46% | 0.458 | S | S | . | . | trans | -75.9 | 101.6 | 171.5 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | Q120 D121 Y125 A161 F164 | Q120-V123 HydrophobicContact CB-CG2 4.15Å; D121-V123 PolarHBondContact O-N 2.92Å; V123-Y125 HydrophobicContact CB-CE2 4.15Å; V123-Y125 HydrophobicContact CG1-CD2 4.1Å; V123-Y125 HydrophobicContact CG1-CE2 3.56Å; V123-Y125 PolarHBondContact O-N 2.89Å; V123-A161 HydrophobicContact CG1-CB 3.82Å; V123-F164 HydrophobicContact CG2-CD1 4.5Å | ||
| 124 | F | 82 | Confident | 80.8 | Confident | 123 Ų | 123 | 87.9 Ų | 87.9 | 54% | 0.539 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 111.2 | 174.2 | -64 | -82.3 | 0 | 0 | 0 | 110.3 | K122 L162 | K122-F124 HydrophobicContact CB-CE2 3.99Å; K122-F124 HydrophobicContact CB-CZ 4.46Å; K122-F124 WeakPolarHBondContact O-CD2 3.41Å; K122-F124 WeakPolarHBondContact O-CE2 3.09Å; K122-F124 PolarHBondContact O-N 2.81Å; F124-L162 PolarHBondContact O-N 2.94Å |
| 125 | Y | 83.6 | Confident | 82 | Confident | 151 Ų | 151 | 88 Ų | 88 | 59% | 0.592 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 138.5 | 167.6 | -67.6 | -91.2 | 0 | 0 | 0 | 110 | V123 P159 R160 A161 | V123-Y125 HydrophobicContact CB-CE2 4.15Å; V123-Y125 HydrophobicContact CG1-CD2 4.1Å; V123-Y125 HydrophobicContact CG1-CE2 3.56Å; V123-Y125 PolarHBondContact O-N 2.89Å; Y125-P159 HydrophobicContact CD1-CB 4.08Å; Y125-R160 WeakPolarHBondContact CA-O 3.24Å; Y125-A161 HydrophobicContact CE1-CB 4.38Å |
| 126 | V | 88.2 | Confident | 83.2 | Confident | 49 Ų | 49 | 93.1 Ų | 93.1 | 30% | 0.297 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 150.4 | 164.2 | -66.4 | 0 | 0 | 0 | 0 | 110.4 | V128 R160 L162 | V126-V128 HydrophobicContact CG2-CG2 3.94Å; V126-V128 PolarHBondContact O-N 2.88Å; V126-R160 PolarHBondContact N-O 3.35Å; V126-R160 PolarHBondContact O-N 2.73Å; V126-L162 HydrophobicContact CB-CD1 4.28Å; V126-L162 HydrophobicContact CG1-CD1 3.76Å; V126-L162 HydrophobicContact CG2-CB 4.04Å; V126-L162 HydrophobicContact CG2-CD1 3.54Å; V126-L162 HydrophobicContact CG2-CG 3.57Å |
| 127 | P | 90.2 | Very high | 84.5 | Confident | 98 Ų | 98 | 89 Ų | 89 | 64% | 0.636 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 116.4 | 169.2 | -12.7 | 28.1 | 0 | 0 | 0 | 109.2 | P157 | P127-P157 HydrophobicContact CB-CB 3.58Å |
| 128 | V | 91.3 | Very high | 85.8 | Confident | 39 Ų | 39 | 87.6 Ų | 87.6 | 24% | 0.236 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 127.1 | 174.1 | 178.1 | 0 | 0 | 0 | 0 | 108.3 | V126 T130 R158 R160 | V126-V128 HydrophobicContact CG2-CG2 3.94Å; V126-V128 PolarHBondContact O-N 2.88Å; V128-T130 PolarHBondContact O-N 3.45Å; V128-T130 PolarHBondContact O-OG1 2.87Å; V128-R158 PolarHBondContact N-O 2.96Å; V128-R158 PolarHBondContact O-N 3.29Å; V128-R160 HydrophobicContact CB-CB 4.12Å; V128-R160 HydrophobicContact CG2-CB 3.65Å |
| 129 | P | 92.6 | Very high | 87 | Confident | 93 Ų | 93 | 86.2 Ų | 86.2 | 60% | 0.604 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 113 | 174.7 | 25.7 | -33.3 | 0 | 0 | 0 | 108.9 | L155 | P129-L155 HydrophobicContact CB-CB 4.42Å |
| 130 | T | 92.7 | Very high | 88.1 | Confident | 53 Ų | 53 | 83 Ų | 83 | 33% | 0.325 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 135 | -173.4 | -57.5 | 0 | 0 | 0 | 0 | 108.1 | V128 T132 L155 E156 R158 | V128-T130 PolarHBondContact O-N 3.45Å; V128-T130 PolarHBondContact O-OG1 2.87Å; T130-T132 PolarHBondContact O-N 2.87Å; T130-L155 WeakPolarHBondContact O-CA 3.45Å; T130-E156 PolarHBondContact N-O 3.24Å; T130-E156 PolarHBondContact O-N 3.09Å; T130-R158 HydrophobicContact CG2-CG 4.48Å |
| 131 | V | 95.3 | Very high | 89 | Confident | 79 Ų | 79 | 80.5 Ų | 80.5 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 117.5 | 176.2 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | L153 T154 L155 | V131-L153 HydrophobicContact CG1-CD2 3.61Å; V131-L153 HydrophobicContact CG2-CD2 4.05Å; V131-T154 WeakPolarHBondContact CA-O 3.26Å; V131-L155 HydrophobicContact CB-CD2 4.32Å; V131-L155 HydrophobicContact CG2-CD2 3.55Å |
| 132 | T | 94.1 | Very high | 89.9 | Confident | 54 Ų | 54 | 82.4 Ų | 82.4 | 33% | 0.331 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | -25 | 176.7 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | T130 T154 E156 R158 | T130-T132 PolarHBondContact O-N 2.87Å; T132-T154 PolarHBondContact N-O 2.94Å; T132-T154 PolarHBondContact OG1-O 2.92Å; T132-E156 HydrophobicContact CG2-CB 3.78Å; T132-E156 HydrophobicContact CG2-CG 4.09Å; T132-E156 VanDerWaalsContact OG1-CD 3.29Å; T132-E156 WeakPolarHBondContact OG1-CG 3.49Å; T132-E156 PolarHBondContact OG1-OE1 2.89Å; T132-R158 HydrophobicContact CG2-CG 4.28Å |
| 133 | A | 95.3 | Very high | 90.6 | Very high | 48 Ų | 48 | 85.6 Ų | 85.6 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 155 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | T154 | A133-T154 PolarHBondContact O-N 3.46Å |
| 134 | Y | 96.4 | Very high | 91 | Very high | 121 Ų | 121 | 86.7 Ų | 86.7 | 48% | 0.475 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 139 | 174 | -178.4 | -122.3 | 0 | 0 | 0 | 108.9 | E136 S151 Q152 L153 | Y134-E136 HydrophobicContact CD1-CG 4.39Å; Y134-E136 HydrophobicContact CE1-CG 3.43Å; Y134-E136 VanDerWaalsContact CE1-CG 3.43Å; Y134-E136 VanDerWaalsContact CE1-OE1 3.31Å; Y134-E136 WeakPolarHBondContact CE1-OE1 3.21Å; Y134-E136 HydrophobicContact CE2-CG 4.44Å; Y134-E136 VanDerWaalsContact CZ-CG 3.47Å; Y134-E136 VanDerWaalsContact CZ-OE1 3.31Å; Y134-E136 VanDerWaalsContact OH-CG 3.26Å; Y134-E136 WeakPolarHBondContact OH-CG 3.46Å; Y134-E136 PolarHBondContact OH-OE1 3.48Å; Y134-S151 WeakPolarHBondContact OH-CB 3.5Å; Y134-S151 PolarHBondContact OH-OG 2.79Å; Y134-S151 VanDerWaalsContact OH-OG 3.09Å; Y134-Q152 WeakPolarHBondContact CA-O 3.47Å; Y134-Q152 VanDerWaalsContact CD2-O 3.29Å; Y134-Q152 WeakPolarHBondContact CD2-O 3.33Å; Y134-L153 HydrophobicContact CD2-CD2 3.44Å; Y134-L153 VanDerWaalsContact CD2-CD2 3.44Å; Y134-L153 HydrophobicContact CD2-CG 3.89Å; Y134-L153 HydrophobicContact CE2-CD2 4.09Å; Y134-L153 HydrophobicContact CE2-CG 4.24Å; Y134-L153 HydrophobicContact CG-CD2 4.25Å |
| 135 | S | 95.9 | Very high | 91.3 | Very high | 53 Ų | 53 | 87.1 Ų | 87.1 | 37% | 0.371 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 133.3 | 172.1 | 57.7 | 0 | 0 | 0 | 0 | 111 | Q152 | S135-Q152 PolarHBondContact N-O 3.4Å; S135-Q152 PolarHBondContact O-N 3.2Å |
| 136 | E | 96.2 | Very high | 91.4 | Very high | 120 Ų | 120 | 90.1 Ų | 90.1 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 144.6 | 168.5 | -64.9 | -176.1 | 162.8 | 0 | 0 | 109.2 | Y134 R150 | Y134-E136 HydrophobicContact CD1-CG 4.39Å; Y134-E136 HydrophobicContact CE1-CG 3.43Å; Y134-E136 VanDerWaalsContact CE1-CG 3.43Å; Y134-E136 VanDerWaalsContact CE1-OE1 3.31Å; Y134-E136 WeakPolarHBondContact CE1-OE1 3.21Å; Y134-E136 HydrophobicContact CE2-CG 4.44Å; Y134-E136 VanDerWaalsContact CZ-CG 3.47Å; Y134-E136 VanDerWaalsContact CZ-OE1 3.31Å; Y134-E136 VanDerWaalsContact OH-CG 3.26Å; Y134-E136 WeakPolarHBondContact OH-CG 3.46Å; Y134-E136 PolarHBondContact OH-OE1 3.48Å; E136-R150 CarbonylContact C-O 3.56Å; E136-R150 WeakPolarHBondContact CA-O 3.39Å |
| 137 | T | 95.5 | Very high | 91.5 | Very high | 73 Ų | 73 | 95.4 Ų | 95.4 | 45% | 0.448 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 120.8 | 172.8 | -57.4 | 0 | 0 | 0 | 0 | 108.1 | V139 R150 | T137-V139 HydrophobicContact CG2-CG2 4.19Å; T137-R150 PolarHBondContact N-O 3.44Å; T137-R150 PolarHBondContact O-N 3.22Å |
| 138 | I | 94.2 | Very high | 91.6 | Very high | 98 Ų | 98 | 96 Ų | 96 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 113.1 | 177.5 | -52.7 | 175.8 | 0 | 0 | 0 | 107.1 | R147 N148 Y149 | I138-R147 HydrophobicContact CG2-CB 4.49Å; I138-N148 WeakPolarHBondContact CA-O 2.84Å; I138-Y149 HydrophobicContact CD1-CD1 4.13Å; I138-Y149 HydrophobicContact CD1-CE1 3.88Å; I138-Y149 HydrophobicContact CG1-CD1 3.82Å; I138-Y149 HydrophobicContact CG1-CE1 4Å; I138-Y149 HydrophobicContact CG2-CD1 4.16Å; I138-Y149 HydrophobicContact CG2-CE1 3.89Å |
| 139 | V | 93 | Very high | 91.7 | Very high | 90 Ų | 90 | 101 Ų | 101 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 113.6 | 175.7 | -175 | 0 | 0 | 0 | 0 | 108.1 | T137 R147 N148 | T137-V139 HydrophobicContact CG2-CG2 4.19Å; V139-R147 WeakPolarHBondContact O-CA 3Å; V139-N148 HydrophobicContact CB-CB 4.36Å; V139-N148 PolarHBondContact N-O 2.88Å; V139-N148 PolarHBondContact O-N 2.67Å |
| 140 | A | 90.7 | Very high | 91.8 | Very high | 60 Ų | 60 | 104 Ų | 104 | 50% | 0.496 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | R147 | A140-R147 HydrophobicContact CB-CG 4.14Å |
| 141 | A | 88.3 | Confident | 92 | Very high | 52 Ų | 52 | 105.1 Ų | 105.1 | 43% | 0.43 | 56% | 0.559 | S | S | . | * | trans | -81.3 | 138.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | C144 | A141-C144 HydrophobicContact CB-CB 3.87Å; A141-C144 PolarHBondContact O-N 2.68Å | ||
| 142 | P | 87.9 | Confident | 92 | Very high | 119 Ų | 119 | 105.3 Ų | 105.3 | 77% | 0.773 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | 141.1 | 178.5 | 26.2 | -34 | 0 | 0 | 0 | 110.6 | C144 | P142-C144 PolarHBondContact O-N 2.8Å; P142-C144 VanDerWaalsContact O-N 3.14Å |
| 143 | N | 86.3 | Confident | 92.2 | Very high | 182 Ų | 182 | 107.6 Ų | 107.6 | 97% | 0.973 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.5 | 20 | -176.9 | -53.1 | -28 | 0 | 0 | 0 | 114.9 | ||
| 144 | C | 80.6 | Confident | 92.2 | Very high | 65 Ų | 65 | 108 Ų | 108 | 44% | 0.439 | 56% | 0.561 | S | S | . | * | trans | -122.9 | 147.4 | 176.7 | -163.7 | 0 | 0 | 0 | 0 | 111.2 | A141 P142 W146 | A141-C144 HydrophobicContact CB-CB 3.87Å; A141-C144 PolarHBondContact O-N 2.68Å; P142-C144 PolarHBondContact O-N 2.8Å; P142-C144 VanDerWaalsContact O-N 3.14Å; C144-W146 VanDerWaalsContact C-N 3.34Å | ||
| 145 | T | 88.2 | Confident | 92.2 | Very high | 133 Ų | 133 | 107 Ų | 107 | 82% | 0.816 | 56% | 0.564 | S | S | * | * | trans | -83.1 | -12.8 | 174 | 52.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 146 | W | 86.8 | Confident | 92.2 | Very high | 213 Ų | 213 | 108 Ų | 108 | 81% | 0.807 | 56% | 0.562 | S | S | * | * | trans | -70.5 | 132 | 178.6 | -80 | 43.9 | 0 | 0 | 0 | 111.4 | C144 | C144-W146 VanDerWaalsContact C-N 3.34Š| ||
| 147 | R | 90.7 | Very high | 92 | Very high | 161 Ų | 161 | 107 Ų | 107 | 61% | 0.608 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -130.9 | 130.1 | 173.9 | -65 | -179.8 | -179 | 131.9 | 0 | 108.6 | I138 V139 A140 Y149 | I138-R147 HydrophobicContact CG2-CB 4.49Å; V139-R147 WeakPolarHBondContact O-CA 3Å; A140-R147 HydrophobicContact CB-CG 4.14Å; R147-Y149 HydrophobicContact CB-CD2 4.27Å; R147-Y149 HydrophobicContact CB-CE2 3.51Å; R147-Y149 VanDerWaalsContact CD-OH 3.29Å; R147-Y149 WeakPolarHBondContact CD-OH 3.22Å |
| 148 | N | 91.1 | Very high | 91.8 | Very high | 111 Ų | 111 | 109.4 Ų | 109.4 | 59% | 0.594 | 57% | 0.567 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.9 | 129 | 171.7 | -168.7 | -16.9 | 0 | 0 | 0 | 108.7 | I138 V139 | I138-N148 WeakPolarHBondContact CA-O 2.84Å; V139-N148 HydrophobicContact CB-CB 4.36Å; V139-N148 PolarHBondContact N-O 2.88Å; V139-N148 PolarHBondContact O-N 2.67Å |
| 149 | Y | 94 | Very high | 91.5 | Very high | 142 Ų | 142 | 109.4 Ų | 109.4 | 56% | 0.557 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.2 | 118.6 | -177.6 | -64.5 | -96.9 | 0 | 0 | 0 | 108.7 | I138 R147 | I138-Y149 HydrophobicContact CD1-CD1 4.13Å; I138-Y149 HydrophobicContact CD1-CE1 3.88Å; I138-Y149 HydrophobicContact CG1-CD1 3.82Å; I138-Y149 HydrophobicContact CG1-CE1 4Å; I138-Y149 HydrophobicContact CG2-CD1 4.16Å; I138-Y149 HydrophobicContact CG2-CE1 3.89Å; R147-Y149 HydrophobicContact CB-CD2 4.27Å; R147-Y149 HydrophobicContact CB-CE2 3.51Å; R147-Y149 VanDerWaalsContact CD-OH 3.29Å; R147-Y149 WeakPolarHBondContact CD-OH 3.22Å |
| 150 | R | 94.8 | Very high | 91 | Very high | 157 Ų | 157 | 113.2 Ų | 113.2 | 59% | 0.592 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.6 | 111.5 | 174.8 | 176.7 | 177.1 | 169.2 | 166.9 | -3.8 | 109.5 | E136 T137 | E136-R150 CarbonylContact C-O 3.56Å; E136-R150 WeakPolarHBondContact CA-O 3.39Å; T137-R150 PolarHBondContact N-O 3.44Å; T137-R150 PolarHBondContact O-N 3.22Å |
| 151 | S | 96.6 | Very high | 90.7 | Very high | 77 Ų | 77 | 112.1 Ų | 112.1 | 54% | 0.538 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.2 | 135.8 | 168.2 | -59.6 | 0 | 0 | 0 | 0 | 109.6 | Y134 | Y134-S151 WeakPolarHBondContact OH-CB 3.5Å; Y134-S151 PolarHBondContact OH-OG 2.79Å; Y134-S151 VanDerWaalsContact OH-OG 3.09Å |
| 152 | Q | 96.4 | Very high | 89.8 | Confident | 83 Ų | 83 | 115.2 Ų | 115.2 | 39% | 0.388 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.5 | 130.2 | 179.8 | 178.1 | 170.7 | -39.2 | 0 | 0 | 110.1 | Y134 S135 | Y134-Q152 WeakPolarHBondContact CA-O 3.47Å; Y134-Q152 VanDerWaalsContact CD2-O 3.29Å; Y134-Q152 WeakPolarHBondContact CD2-O 3.33Å; S135-Q152 PolarHBondContact N-O 3.4Å; S135-Q152 PolarHBondContact O-N 3.2Å |
| 153 | L | 97.2 | Very high | 88.7 | Confident | 101 Ų | 101 | 118.1 Ų | 118.1 | 53% | 0.529 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.5 | 176.7 | -71.9 | 160.3 | 0 | 0 | 0 | 109 | V131 Y134 | V131-L153 HydrophobicContact CG1-CD2 3.61Å; V131-L153 HydrophobicContact CG2-CD2 4.05Å; Y134-L153 HydrophobicContact CD2-CD2 3.44Å; Y134-L153 VanDerWaalsContact CD2-CD2 3.44Å; Y134-L153 HydrophobicContact CD2-CG 3.89Å; Y134-L153 HydrophobicContact CE2-CD2 4.09Å; Y134-L153 HydrophobicContact CE2-CG 4.24Å; Y134-L153 HydrophobicContact CG-CD2 4.25Å |
| 154 | T | 95.9 | Very high | 87.7 | Confident | 56 Ų | 56 | 115.1 Ų | 115.1 | 34% | 0.344 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.7 | 118.4 | 168.8 | -55.1 | 0 | 0 | 0 | 0 | 108.3 | V131 T132 A133 | V131-T154 WeakPolarHBondContact CA-O 3.26Å; T132-T154 PolarHBondContact N-O 2.94Å; T132-T154 PolarHBondContact OG1-O 2.92Å; A133-T154 PolarHBondContact O-N 3.46Å |
| 155 | L | 95.8 | Very high | 86.8 | Confident | 101 Ų | 101 | 121 Ų | 121 | 53% | 0.529 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.1 | 120.7 | 177.4 | -66.6 | 172.4 | 0 | 0 | 0 | 109.3 | P129 T130 V131 | P129-L155 HydrophobicContact CB-CB 4.42Å; T130-L155 WeakPolarHBondContact O-CA 3.45Å; V131-L155 HydrophobicContact CB-CD2 4.32Å; V131-L155 HydrophobicContact CG2-CD2 3.55Å |
| 156 | E | 95.3 | Very high | 85.4 | Confident | 73 Ų | 73 | 116.3 Ų | 116.3 | 34% | 0.341 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 145.4 | 171.9 | -72 | 171.3 | -158.3 | 0 | 0 | 110.9 | T130 T132 R158 | T130-E156 PolarHBondContact N-O 3.24Å; T130-E156 PolarHBondContact O-N 3.09Å; T132-E156 HydrophobicContact CG2-CB 3.78Å; T132-E156 HydrophobicContact CG2-CG 4.09Å; T132-E156 VanDerWaalsContact OG1-CD 3.29Å; T132-E156 WeakPolarHBondContact OG1-CG 3.49Å; T132-E156 PolarHBondContact OG1-OE1 2.89Å; E156-R158 PolarHBondContact O-N 3.33Å; E156-R158 IonicContact OE2-CZ 3.29Å; E156-R158 VanDerWaalsContact OE2-CZ 3.29Å; E156-R158 IonicContact OE2-NE 3.13Å; E156-R158 PolarHBondContact OE2-NE 2.91Å; E156-R158 VanDerWaalsContact OE2-NE 3.13Å; E156-R158 IonicContact OE2-NH2 2.66Å; E156-R158 PolarHBondContact OE2-NH2 3.01Å |
| 157 | P | 93.3 | Very high | 84.2 | Confident | 99 Ų | 99 | 109.4 Ų | 109.4 | 64% | 0.643 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 104.3 | 170.5 | -13.3 | 28.2 | 0 | 0 | 0 | 109.8 | P127 | P127-P157 HydrophobicContact CB-CB 3.58Å |
| 158 | R | 90.1 | Very high | 82.8 | Confident | 125 Ų | 125 | 105.4 Ų | 105.4 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 135.7 | 175.3 | -64.9 | -65.1 | 179.7 | 141.1 | -6.1 | 109.9 | V128 T130 T132 E156 R160 | V128-R158 PolarHBondContact N-O 2.96Å; V128-R158 PolarHBondContact O-N 3.29Å; T130-R158 HydrophobicContact CG2-CG 4.48Å; T132-R158 HydrophobicContact CG2-CG 4.28Å; E156-R158 PolarHBondContact O-N 3.33Å; E156-R158 IonicContact OE2-CZ 3.29Å; E156-R158 VanDerWaalsContact OE2-CZ 3.29Å; E156-R158 IonicContact OE2-NE 3.13Å; E156-R158 PolarHBondContact OE2-NE 2.91Å; E156-R158 VanDerWaalsContact OE2-NE 3.13Å; E156-R158 IonicContact OE2-NH2 2.66Å; E156-R158 PolarHBondContact OE2-NH2 3.01Å; R158-R160 PolarHBondContact O-N 3.38Å |
| 159 | P | 87.9 | Confident | 81.3 | Confident | 97 Ų | 97 | 104.9 Ų | 104.9 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 118.1 | -177.7 | 27.2 | -33.7 | 0 | 0 | 0 | 110 | Y125 | Y125-P159 HydrophobicContact CD1-CB 4.08Å |
| 160 | R | 84.1 | Confident | 79.9 | Confident | 170 Ų | 170 | 100.1 Ų | 100.1 | 64% | 0.642 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.9 | 176.9 | -160.4 | 177.6 | -175.8 | -175.5 | 1.6 | 109.6 | Y125 V126 V128 R158 L162 | Y125-R160 WeakPolarHBondContact CA-O 3.24Å; V126-R160 PolarHBondContact N-O 3.35Å; V126-R160 PolarHBondContact O-N 2.73Å; V128-R160 HydrophobicContact CB-CB 4.12Å; V128-R160 HydrophobicContact CG2-CB 3.65Å; R158-R160 PolarHBondContact O-N 3.38Å; R160-L162 PolarHBondContact O-N 3.22Å |
| 161 | A | 82.8 | Confident | 78.2 | Confident | 37 Ų | 37 | 99.7 Ų | 99.7 | 31% | 0.306 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 120.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | V123 Y125 | V123-A161 HydrophobicContact CG1-CB 3.82Å; Y125-A161 HydrophobicContact CE1-CB 4.38Å |
| 162 | L | 70.5 | Confident | 76.8 | Confident | 118 Ų | 118 | 99.6 Ų | 99.6 | 62% | 0.618 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -40.5 | -171.5 | -136.5 | -173.1 | 0 | 0 | 0 | 112.3 | F124 V126 R160 | F124-L162 PolarHBondContact O-N 2.94Å; V126-L162 HydrophobicContact CB-CD1 4.28Å; V126-L162 HydrophobicContact CG1-CD1 3.76Å; V126-L162 HydrophobicContact CG2-CB 4.04Å; V126-L162 HydrophobicContact CG2-CD1 3.54Å; V126-L162 HydrophobicContact CG2-CG 3.57Å; R160-L162 PolarHBondContact O-N 3.22Å |
| 163 | R | 64.9 | Low | 75.4 | Confident | 180 Ų | 180 | 101.5 Ų | 101.5 | 68% | 0.679 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 133.1 | 178.2 | -151.9 | 166.8 | -179.8 | 170.5 | 0.3 | 112 | ||
| 164 | F | 64.4 | Low | 74.2 | Confident | 118 Ų | 118 | 101.4 Ų | 101.4 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | trans | -76.7 | 128.6 | 167.1 | -52.2 | -76.2 | 0 | 0 | 0 | 109.1 | V123 | V123-F164 HydrophobicContact CG2-CD1 4.5Š| ||
| 165 | R | 61.4 | Low | 73.3 | Confident | 190 Ų | 190 | 102 Ų | 102 | 72% | 0.717 | 51% | 0.506 | S | S | * | . | trans | -118.9 | -17.2 | 176.3 | -85 | -169.7 | 167.9 | -172.5 | -2.3 | 114.9 | ||||
| 166 | S | 58.6 | Low | 72.4 | Confident | 34 Ų | 34 | 105.7 Ų | 105.7 | 24% | 0.238 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 101.9 | 168.6 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | D121 | D121-S166 PolarHBondContact N-O 2.97Å; D121-S166 VanDerWaalsContact O-O 3.1Å |
| 167 | T | 63.1 | Low | 71.6 | Confident | 68 Ų | 68 | 104.8 Ų | 104.8 | 42% | 0.417 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 132.2 | 141.8 | -27.2 | 0 | 0 | 0 | 0 | 104.2 | F119 Q120 | F119-T167 WeakPolarHBondContact O-CG2 3.46Å; Q120-T167 HydrophobicContact CG-CG2 4Å |
| 168 | T | 60.1 | Low | 70.8 | Confident | 76 Ų | 76 | 102.8 Ų | 102.8 | 47% | 0.466 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | 178 | 124.4 | 74.9 | -76.5 | 0 | 0 | 0 | 0 | 109.3 | I170 | T168-I170 HydrophobicContact CG2-CB 4.45Å; T168-I170 HydrophobicContact CG2-CD1 3.27Å; T168-I170 HydrophobicContact CG2-CG1 3.32Å | |
| 169 | I | 60.3 | Low | 70.4 | Confident | 100 Ų | 100 | 104.5 Ų | 104.5 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.4 | 157.8 | -61.8 | 179.1 | 0 | 0 | 0 | 107.5 | F171 | I169-F171 HydrophobicContact CG2-CD2 3.85Å |
| 170 | I | 64 | Low | 70.2 | Confident | 42 Ų | 42 | 107.7 Ų | 107.7 | 22% | 0.215 | 51% | 0.512 | C | S | . | . | trans | -112.4 | 99.1 | -171.7 | -76.1 | 169.3 | 0 | 0 | 0 | 107.2 | S115 T168 K173 | S115-I170 WeakPolarHBondContact OG-CB 3.46Å; S115-I170 WeakPolarHBondContact OG-CG1 3.49Å; S115-I170 WeakPolarHBondContact OG-CG2 3.03Å; T168-I170 HydrophobicContact CG2-CB 4.45Å; T168-I170 HydrophobicContact CG2-CD1 3.27Å; T168-I170 HydrophobicContact CG2-CG1 3.32Å; I170-K173 HydrophobicContact CB-CG 4.45Å; I170-K173 HydrophobicContact CG2-CD 4.08Å; I170-K173 HydrophobicContact CG2-CG 3.35Å | ||
| 171 | F | 60.6 | Low | 70 | Confident | 149 Ų | 149 | 104.3 Ų | 104.3 | 65% | 0.654 | 51% | 0.51 | S | S | * | . | trans | -146.2 | 144.4 | 175.1 | -89.7 | -80.8 | 0 | 0 | 0 | 112.3 | I169 | I169-F171 HydrophobicContact CG2-CD2 3.85Š| ||
| 172 | P | 66.8 | Low | 69.9 | Low | 74 Ų | 74 | 105.4 Ų | 105.4 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | S | Bend | cis | -64.1 | 150.7 | -21 | 27.6 | -33.6 | 0 | 0 | 0 | 111.7 | S115 H174 | S115-P172 WeakPolarHBondContact CB-O 3.42Å; P172-H174 WeakPolarHBondContact CG-NE2 3.39Å |
| 173 | K | 65.7 | Low | 70.2 | Confident | 124 Ų | 124 | 105.4 Ų | 105.4 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -85.9 | 117.8 | 169 | -81.7 | 178 | 179.3 | 176.4 | 0 | 108.6 | Y113 A114 I170 | Y113-K173 HydrophobicContact CD1-CB 4.39Å; A114-K173 WeakPolarHBondContact O-CA 3.22Å; I170-K173 HydrophobicContact CB-CG 4.45Å; I170-K173 HydrophobicContact CG2-CD 4.08Å; I170-K173 HydrophobicContact CG2-CG 3.35Å |
| 174 | H | 72.6 | Confident | 70.5 | Confident | 99 Ų | 99 | 102.3 Ų | 102.3 | 46% | 0.458 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 139.8 | 170.7 | -64.9 | -70.2 | 0 | 0 | 0 | 110.4 | Y113 A114 P172 R176 | Y113-H174 WeakPolarHBondContact CA-O 3.49Å; A114-H174 PolarHBondContact N-O 3.43Å; A114-H174 PolarHBondContact O-N 3.04Å; P172-H174 WeakPolarHBondContact CG-NE2 3.39Å; H174-R176 PolarHBondContact O-N 3.02Å |
| 175 | A | 77.5 | Confident | 70.5 | Confident | 68 Ų | 68 | 99.6 Ų | 99.6 | 56% | 0.562 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 116.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | V111 Y113 | V111-A175 HydrophobicContact CG1-CB 4.17Å; Y113-A175 HydrophobicContact CD1-CB 4.2Å; Y113-A175 HydrophobicContact CE1-CB 3.76Å |
| 176 | R | 76.6 | Confident | 70.6 | Confident | 178 Ų | 178 | 92 Ų | 92 | 67% | 0.672 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 104.7 | 173 | -176.4 | 177.9 | 179.9 | 176 | 1.9 | 108.8 | K112 H174 | K112-R176 PolarHBondContact N-O 3.48Å; K112-R176 WeakPolarHBondContact O-CA 3.42Å; K112-R176 WeakPolarHBondContact O-CB 3.46Å; K112-R176 PolarHBondContact O-N 2.91Å; H174-R176 PolarHBondContact O-N 3.02Å |
| 177 | S | 78.6 | Confident | 71 | Confident | 55 Ų | 55 | 97.5 Ų | 97.5 | 39% | 0.385 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 135.6 | 168.9 | -166.5 | 0 | 0 | 0 | 0 | 110 | F179 | S177-F179 WeakPolarHBondContact OG-CE1 3.47Å; S177-F179 WeakPolarHBondContact OG-CE2 3.42Å; S177-F179 WeakPolarHBondContact OG-CZ 3.44Å |
| 178 | T | 76.3 | Confident | 71.1 | Confident | 56 Ų | 56 | 95.9 Ų | 95.9 | 34% | 0.344 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 122.3 | 169.3 | -51.7 | 0 | 0 | 0 | 0 | 108 | E110 | E110-T178 PolarHBondContact N-O 3.37Å; E110-T178 PolarHBondContact O-N 2.94Å |
| 179 | F | 81.4 | Confident | 71.5 | Confident | 161 Ų | 161 | 103.6 Ų | 103.6 | 71% | 0.706 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.8 | 177.3 | -55.2 | -82.4 | 0 | 0 | 0 | 108.7 | S177 | S177-F179 WeakPolarHBondContact OG-CE1 3.47Å; S177-F179 WeakPolarHBondContact OG-CE2 3.42Å; S177-F179 WeakPolarHBondContact OG-CZ 3.44Å |
| 180 | R | 83.7 | Confident | 71.8 | Confident | 164 Ų | 164 | 103.3 Ų | 103.3 | 62% | 0.619 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 105.5 | 173.8 | -164.8 | -179.3 | 79.4 | 169.1 | 2.7 | 111 | N108 | N108-R180 PolarHBondContact N-O 3.44Å; N108-R180 PolarHBondContact ND2-O 3.31Å; N108-R180 PolarHBondContact O-N 3.29Å |
| 181 | T | 80.9 | Confident | 72.4 | Confident | 99 Ų | 99 | 103.1 Ų | 103.1 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 127.2 | 165.4 | -51.3 | 0 | 0 | 0 | 0 | 108.6 | I105 | I105-T181 HydrophobicContact CG2-CG2 4.32Å |
| 182 | T | 79.9 | Confident | 73.5 | Confident | 60 Ų | 60 | 99.4 Ų | 99.4 | 37% | 0.368 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 117.5 | 172.9 | -56.8 | 0 | 0 | 0 | 0 | 107.4 | R106 | R106-T182 PolarHBondContact N-O 3.13Å; R106-T182 PolarHBondContact O-N 2.66Å |
| 183 | L | 77.7 | Confident | 74.4 | Confident | 119 Ų | 119 | 102.3 Ų | 102.3 | 62% | 0.623 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 114.2 | 179.7 | 179.7 | 138.9 | 0 | 0 | 0 | 108.4 | I105 C185 | I105-L183 HydrophobicContact CD1-CD1 4.31Å; I105-L183 HydrophobicContact CG1-CD1 4.2Å; L183-C185 HydrophobicContact CD2-CB 3.71Å |
| 184 | H | 69.9 | Low | 75.5 | Confident | 115 Ų | 115 | 103.4 Ų | 103.4 | 53% | 0.532 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 91.5 | 176.2 | -174.3 | -89.5 | 0 | 0 | 0 | 109.3 | E104 | E104-H184 HydrophobicContact CB-CB 4.45Å; E104-H184 PolarHBondContact N-O 2.89Å; E104-H184 PolarHBondContact O-N 2.89Å |
| 185 | C | 64.5 | Low | 76.2 | Confident | 61 Ų | 61 | 102.5 Ų | 102.5 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | trans | -96 | 100.8 | 175.2 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | L183 L187 | L183-C185 HydrophobicContact CD2-CB 3.71Å; C185-L187 PolarHBondContact O-N 2.96Å | ||
| 186 | S | 65.1 | Low | 76.7 | Confident | 31 Ų | 31 | 103.2 Ų | 103.2 | 22% | 0.217 | 53% | 0.533 | C | S | . | . | trans | -93.8 | 86.2 | 173.9 | 50.1 | 0 | 0 | 0 | 0 | 110 | G188 | S186-G188 PolarHBondContact O-N 3.19Š| ||
| 187 | L | 64.9 | Low | 77.2 | Confident | 149 Ų | 149 | 97.3 Ų | 97.3 | 78% | 0.78 | 52% | 0.519 | S | S | * | . | trans | -65 | 59.5 | 178.3 | -64.7 | 172.3 | 0 | 0 | 0 | 112.9 | C185 | C185-L187 PolarHBondContact O-N 2.96Š| ||
| 188 | G | 66.8 | Low | 77.6 | Confident | 34 Ų | 34 | 98.4 Ų | 98.4 | 35% | 0.351 | 52% | 0.523 | S | S | . | . | trans | -70.2 | 143 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | S186 P190 | S186-G188 PolarHBondContact O-N 3.19Å; G188-P190 VanDerWaalsContact O-CD 3.24Å; G188-P190 WeakPolarHBondContact O-CD 3.47Å | ||
| 189 | R | 67 | Low | 78.2 | Confident | 237 Ų | 237 | 101.7 Ų | 101.7 | 89% | 0.894 | 54% | 0.535 | S | S | * | . | trans | -78.4 | 114.6 | 171.5 | -67.3 | -174.6 | 178.6 | -163.5 | -1.2 | 108.5 | S191 | R189-S191 PolarHBondContact O-N 2.7Š| ||
| 190 | P | 68.4 | Low | 78.5 | Confident | 94 Ų | 94 | 98.4 Ų | 98.4 | 61% | 0.61 | 52% | 0.524 | S | S | * | . | trans | -60.5 | 137.4 | 169.8 | 26.9 | -33.8 | 0 | 0 | 0 | 108.5 | G188 | G188-P190 VanDerWaalsContact O-CD 3.24Å; G188-P190 WeakPolarHBondContact O-CD 3.47Å | ||
| 191 | S | 76.4 | Confident | 78.6 | Confident | 39 Ų | 39 | 96.5 Ų | 96.5 | 27% | 0.273 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 133.4 | 179.8 | 49.3 | 0 | 0 | 0 | 0 | 110.2 | N98 R189 | N98-S191 PolarHBondContact N-O 2.89Å; N98-S191 PolarHBondContact ND2-OG 3.19Å; N98-S191 PolarHBondContact O-N 3.34Å; R189-S191 PolarHBondContact O-N 2.7Å |
| 192 | C | 82.1 | Confident | 78.7 | Confident | 70 Ų | 70 | 95.3 Ų | 95.3 | 47% | 0.473 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 140.4 | 168 | 58.3 | 0 | 0 | 0 | 0 | 109 | K96 F194 | K96-C192 WeakPolarHBondContact O-CA 3.45Å; C192-F194 HydrophobicContact CB-CE2 4.36Å |
| 193 | W | 86.8 | Confident | 78.1 | Confident | 135 Ų | 135 | 95.2 Ų | 95.2 | 51% | 0.511 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.5 | 171.7 | -58.8 | -54.2 | 0 | 0 | 0 | 108.8 | I95 K96 N98 | I95-W193 WeakPolarHBondContact CA-O 3.29Å; K96-W193 HydrophobicContact CB-CE3 4.16Å; K96-W193 HydrophobicContact CD-CE3 3.83Å; K96-W193 HydrophobicContact CD-CZ3 3.93Å; K96-W193 HydrophobicContact CG-CE3 3.94Å; K96-W193 HydrophobicContact CG-CZ3 4.3Å; K96-W193 PolarHBondContact N-O 3.44Å; K96-W193 PolarHBondContact O-N 2.88Å; N98-W193 WeakPolarHBondContact ND2-CH2 3.36Å; N98-W193 WeakPolarHBondContact ND2-CZ3 3.4Å |
| 194 | F | 87.7 | Confident | 77.7 | Confident | 148 Ų | 148 | 97 Ų | 97 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 132.5 | 171.8 | -58.1 | -89.9 | 0 | 0 | 0 | 107.6 | I95 C192 | I95-F194 HydrophobicContact CD1-CD1 4.16Å; I95-F194 HydrophobicContact CD1-CE1 3.89Å; I95-F194 HydrophobicContact CG1-CD1 3.87Å; I95-F194 HydrophobicContact CG1-CE1 4.06Å; I95-F194 HydrophobicContact CG2-CD1 4.31Å; I95-F194 HydrophobicContact CG2-CE1 4.09Å; C192-F194 HydrophobicContact CB-CE2 4.36Å |
| 195 | T | 87.1 | Confident | 77.2 | Confident | 80 Ų | 80 | 96.1 Ų | 96.1 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 108.9 | 175.5 | -61.1 | 0 | 0 | 0 | 0 | 108.3 | S94 | S94-T195 PolarHBondContact N-O 3.15Å; S94-T195 PolarHBondContact O-N 3.38Å; S94-T195 PolarHBondContact OG-O 2.84Å |
| 196 | A | 88.8 | Confident | 76.7 | Confident | 83 Ų | 83 | 99 Ų | 99 | 69% | 0.686 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 135.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | G92 E93 | G92-A196 CarbonylContact O-C 3.54Å; E93-A196 HydrophobicContact CG-CB 4.45Å |
| 197 | S | 86.5 | Confident | 75.9 | Confident | 53 Ų | 53 | 101.8 Ų | 101.8 | 37% | 0.371 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.9 | 135.9 | -179.8 | 60.7 | 0 | 0 | 0 | 0 | 109.6 | G92 | G92-S197 PolarHBondContact N-O 2.92Å; G92-S197 PolarHBondContact O-N 2.88Å; G92-S197 PolarHBondContact O-OG 2.91Å |
| 198 | V | 88.7 | Confident | 75 | Confident | 78 Ų | 78 | 100.6 Ų | 100.6 | 47% | 0.473 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.5 | 119.5 | 176.7 | -174.8 | 0 | 0 | 0 | 0 | 107.5 | P88 F90 F91 L200 | P88-V198 HydrophobicContact CB-CG1 3.79Å; F90-V198 CarbonylContact O-C 3.59Å; F90-V198 WeakPolarHBondContact O-CA 3.44Å; F91-V198 HydrophobicContact CD1-CG1 4.13Å; F91-V198 HydrophobicContact CD1-CG2 3.81Å; F91-V198 HydrophobicContact CE1-CG1 3.96Å; F91-V198 HydrophobicContact CE1-CG2 4.09Å; V198-L200 HydrophobicContact CG1-CD2 3.73Å; V198-L200 HydrophobicContact CG1-CG 4.42Å |
| 199 | Q | 87.4 | Confident | 74.1 | Confident | 126 Ų | 126 | 104.1 Ų | 104.1 | 59% | 0.589 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.5 | 122.3 | 171.1 | -59.8 | -176 | -18.5 | 0 | 0 | 108.5 | P88 V89 F90 | P88-Q199 WeakPolarHBondContact CA-O 3.31Å; V89-Q199 PolarHBondContact N-O 2.98Å; F90-Q199 HydrophobicContact CB-CB 4.02Å; F90-Q199 HydrophobicContact CB-CG 4.22Å; F90-Q199 HydrophobicContact CD1-CG 4.47Å; F90-Q199 PolarHBondContact N-O 3.11Å; F90-Q199 PolarHBondContact O-N 2.81Å |
| 200 | L | 88.4 | Confident | 73 | Confident | 91 Ų | 91 | 101.2 Ų | 101.2 | 48% | 0.476 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.1 | 129.6 | 177.1 | -56.9 | 179.9 | 0 | 0 | 0 | 109.4 | M86 L87 P88 V198 | M86-L200 HydrophobicContact CB-CB 4.18Å; M86-L200 HydrophobicContact CB-CD1 4.33Å; M86-L200 HydrophobicContact CE-CB 3.7Å; M86-L200 HydrophobicContact SD-CB 4.47Å; M86-L200 HydrophobicContact SD-CD1 4.49Å; L87-L200 CarbonylContact O-C 3.6Å; L87-L200 WeakPolarHBondContact O-CA 3.26Å; P88-L200 HydrophobicContact CB-CD2 3.8Å; V198-L200 HydrophobicContact CG1-CD2 3.73Å; V198-L200 HydrophobicContact CG1-CG 4.42Å |
| 201 | Q | 85.9 | Confident | 72 | Confident | 124 Ų | 124 | 105.2 Ų | 105.2 | 58% | 0.579 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.9 | 145.3 | 172 | -168.4 | 171.5 | -16.8 | 0 | 0 | 109.8 | M86 L87 V89 C203 | M86-Q201 WeakPolarHBondContact CA-O 3.43Å; L87-Q201 PolarHBondContact N-O 2.98Å; L87-Q201 PolarHBondContact O-N 3.06Å; V89-Q201 HydrophobicContact CB-CB 4.33Å; V89-Q201 HydrophobicContact CG2-CB 3.41Å; V89-Q201 VanDerWaalsContact CG2-CB 3.41Å; V89-Q201 HydrophobicContact CG2-CG 4.49Å; Q201-C203 PolarHBondContact O-N 2.82Å |
| 202 | L | 82.5 | Confident | 70.2 | Confident | 75 Ų | 75 | 106.3 Ų | 106.3 | 39% | 0.393 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.3 | 117.3 | 174.6 | -167.1 | 70.6 | 0 | 0 | 0 | 109.6 | P84 M86 Q204 | P84-L202 HydrophobicContact CB-CD1 3.84Å; P84-L202 HydrophobicContact CB-CD2 4.42Å; P84-L202 HydrophobicContact CB-CG 4.08Å; P84-L202 HydrophobicContact CG-CD1 4.28Å; M86-L202 HydrophobicContact CG-CD1 4.16Å; L202-Q204 HydrophobicContact CD2-CG 4.08Å; L202-Q204 HydrophobicContact CG-CG 4.36Å; L202-Q204 PolarHBondContact O-N 2.89Å; L202-Q204 VanDerWaalsContact O-N 3.13Å |
| 203 | C | 67 | Low | 68.6 | Low | 57 Ų | 57 | 109.5 Ų | 109.5 | 39% | 0.385 | 64% | 0.635 | S | S | . | * | trans | -71.7 | 103.7 | 166.7 | -167.7 | 0 | 0 | 0 | 0 | 108 | P84 R85 L87 Q201 | P84-C203 WeakPolarHBondContact CB-O 3.29Å; R85-C203 VanDerWaalsContact O-CB 3.24Å; R85-C203 WeakPolarHBondContact O-CB 3.39Å; R85-C203 PolarHBondContact O-N 3.09Å; L87-C203 HydrophobicContact CD1-CB 3.83Å; L87-C203 HydrophobicContact CG-CB 4.09Å; Q201-C203 PolarHBondContact O-N 2.82Å | ||
| 204 | Q | 69.6 | Low | 66.3 | Low | 156 Ų | 156 | 107 Ų | 107 | 73% | 0.729 | 64% | 0.643 | S | S | * | * | trans | -90.6 | 126.3 | 167.7 | -67 | -174.9 | -11 | 0 | 0 | 108 | L202 | L202-Q204 HydrophobicContact CD2-CG 4.08Å; L202-Q204 HydrophobicContact CG-CG 4.36Å; L202-Q204 PolarHBondContact O-N 2.89Å; L202-Q204 VanDerWaalsContact O-N 3.13Å | ||
| 205 | D | 59.6 | Low | 63.9 | Low | 98 Ų | 98 | 106.2 Ų | 106.2 | 52% | 0.524 | 65% | 0.65 | S | S | . | * | trans | -62.4 | 144.2 | 171.7 | -70.7 | -47.4 | 0 | 0 | 0 | 110.1 | A207 | D205-A207 PolarHBondContact O-N 2.57Š| ||
| 206 | P | 53 | Low | 61.7 | Low | 122 Ų | 122 | 113.9 Ų | 113.9 | 79% | 0.792 | 69% | 0.687 | S | S | * | * | trans | -62.4 | 113.8 | 173.8 | 26.5 | -32.9 | 0 | 0 | 0 | 108.9 | ||||
| 207 | A | 48.6 | Very low | 60.3 | Low | 88 Ų | 88 | 115.4 Ų | 115.4 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | trans | -55 | 135.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | D205 S209 | D205-A207 PolarHBondContact O-N 2.57Å; A207-S209 PolarHBondContact O-N 2.86Å | ||
| 208 | P | 47.2 | Very low | 58.9 | Low | 124 Ų | 124 | 118.7 Ų | 118.7 | 81% | 0.805 | 70% | 0.703 | S | S | * | * | trans | -60.9 | 124.7 | -174.8 | 24.2 | -33.5 | 0 | 0 | 0 | 110 | L210 | P208-L210 PolarHBondContact O-N 2.87Å; P208-L210 VanDerWaalsContact O-N 3.1Å | ||
| 209 | S | 48.2 | Very low | 57.3 | Low | 108 Ų | 108 | 120.9 Ų | 120.9 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | -58.9 | 113.2 | -178.4 | 52.2 | 0 | 0 | 0 | 0 | 110.8 | A207 L211 | A207-S209 PolarHBondContact O-N 2.86Å; S209-L211 PolarHBondContact O-N 3.22Å | ||
| 210 | L | 43.7 | Very low | 55.5 | Low | 177 Ų | 177 | 120.6 Ų | 120.6 | 93% | 0.927 | 72% | 0.724 | S | S | * | * | trans | -60.8 | 106.2 | 170.9 | -87.2 | 161.6 | 0 | 0 | 0 | 109.7 | P208 G212 | P208-L210 PolarHBondContact O-N 2.87Å; P208-L210 VanDerWaalsContact O-N 3.1Å; L210-G212 PolarHBondContact O-N 3.14Å | ||
| 211 | L | 46.3 | Very low | 53.5 | Low | 177 Ų | 177 | 122.5 Ų | 122.5 | 93% | 0.927 | 74% | 0.739 | S | S | * | * | trans | -68.1 | 121.2 | 173 | -96.3 | 158.4 | 0 | 0 | 0 | 110.7 | S209 | S209-L211 PolarHBondContact O-N 3.22Š| ||
| 212 | G | 39.4 | Very low | 51.3 | Low | 63 Ų | 63 | 122.4 Ų | 122.4 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | trans | -160.2 | 159.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | L210 | L210-G212 PolarHBondContact O-N 3.14Š| ||
| 213 | P | 47.7 | Very low | 49.1 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | cis | -121.1 | -166 | 20.6 | 41.2 | -28.1 | 0 | 0 | 0 | 114.1 | ||||
| 214 | A | 38.6 | Very low | 47.7 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | -91.2 | -174.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 215 | T | 38.6 | Very low | 45.9 | Very low | 132 Ų | 132 | 129 Ų | 129 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | 77.2 | 141 | 176.7 | 70 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 216 | L | 39.6 | Very low | 44.6 | Very low | 240 Ų | 240 | 131.8 Ų | 131.8 | 100% | 1.257 | 84% | 0.838 | S | S | * | * | cis | -119.7 | 0 | 10.2 | -73.2 | 162.4 | 0 | 0 | 0 | 112.6 |
Retrieved 216 of 216 residues in 346.8 ms
(Link to these results)