| 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 | 45.3 | Very low | 47.1 | Very low | 250 Ų | 250 | 147.3 Ų | 147.3 | 100% | 1.232 | 83% | 0.827 | S | S | * | * | 0 | 141.5 | 0 | -58.5 | -177.1 | -173.2 | 0 | 0 | 107.5 | |||||
| 2 | S | 47.9 | Very low | 46.9 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -79.4 | 147.5 | -151.8 | -47.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 3 | V | 42.9 | Very low | 46.6 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | 45.7 | 115.7 | 139.5 | -54 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 4 | T | 49.8 | Very low | 46.6 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | 86.6 | 107 | 85.5 | -46.1 | 0 | 0 | 0 | 0 | 112.4 | S6 | T4-S6 WeakPolarHBondContact CG2-OG 3.47Š| |||
| 5 | N | 39.7 | Very low | 46.2 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | -114.7 | 95.4 | 162 | -168.1 | 12 | 0 | 0 | 0 | 107.9 | ||||
| 6 | S | 50 | Low | 45.5 | Very low | 100 Ų | 100 | 148.2 Ų | 148.2 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -91.8 | 128.6 | 177.8 | -66.1 | 0 | 0 | 0 | 0 | 110.1 | T4 | T4-S6 WeakPolarHBondContact CG2-OG 3.47Š| ||
| 7 | S | 49.7 | Very low | 45.2 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -78.5 | 162.6 | 177 | 43.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 8 | A | 51.8 | Low | 44.4 | Very low | 88 Ų | 88 | 150.6 Ų | 150.6 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | 73.5 | 114.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 9 | Y | 46.3 | Very low | 44.3 | Very low | 242 Ų | 242 | 148.5 Ų | 148.5 | 95% | 0.949 | 80% | 0.8 | S | S | * | * | trans | -144 | 122.1 | 133.8 | -111.3 | -85 | 0 | 0 | 0 | 111 | ||||
| 10 | R | 51.6 | Low | 44 | Very low | 182 Ų | 182 | 147 Ų | 147 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | trans | -84.6 | 140.6 | 171.5 | 177.1 | -172.4 | -165.2 | -89.6 | -4.1 | 108 | E12 | R10-E12 IonicContact CZ-OE2 3.08Å; R10-E12 VanDerWaalsContact CZ-OE2 3.31Å; R10-E12 IonicContact NH1-OE2 3.01Å; R10-E12 PolarHBondContact NH1-OE2 2.88Å; R10-E12 VanDerWaalsContact NH2-CD 3.25Å; R10-E12 IonicContact NH2-OE1 2.71Å; R10-E12 IonicContact NH2-OE2 2.91Å; R10-E12 PolarHBondContact NH2-OE2 2.62Å; R10-E12 VanDerWaalsContact NH2-OE2 3.09Å | ||
| 11 | S | 43.3 | Very low | 43.5 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -159.4 | 140.7 | 144.3 | -134.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 12 | E | 44.2 | Very low | 42.9 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 48% | 0.477 | 77% | 0.773 | S | S | . | * | trans | -96.6 | 172.3 | -173.7 | -59.5 | 176.6 | 94.2 | 0 | 0 | 111.7 | R10 | R10-E12 IonicContact CZ-OE2 3.08Å; R10-E12 VanDerWaalsContact CZ-OE2 3.31Å; R10-E12 IonicContact NH1-OE2 3.01Å; R10-E12 PolarHBondContact NH1-OE2 2.88Å; R10-E12 VanDerWaalsContact NH2-CD 3.25Å; R10-E12 IonicContact NH2-OE1 2.71Å; R10-E12 IonicContact NH2-OE2 2.91Å; R10-E12 PolarHBondContact NH2-OE2 2.62Å; R10-E12 VanDerWaalsContact NH2-OE2 3.09Å | ||
| 13 | R | 42.9 | Very low | 42.3 | Very low | 197 Ų | 197 | 137.4 Ų | 137.4 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 115.9 | 91.5 | 143.8 | -48.2 | -146.7 | -147.4 | -63.3 | -2.5 | 117.5 | ||||
| 14 | S | 47.4 | Very low | 41.9 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | 42.6 | 120.3 | 114.8 | -159.5 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 15 | F | 39.9 | Very low | 41.2 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 80% | 0.803 | 77% | 0.769 | S | S | * | * | trans | -150.1 | 112 | 145.4 | -79.4 | -74.9 | 0 | 0 | 0 | 112.7 | ||||
| 16 | Q | 35.7 | Very low | 41 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | 42 | 113.3 | 140.4 | -65.2 | 152.2 | 29.8 | 0 | 0 | 120.2 | ||||
| 17 | Q | 40.4 | Very low | 40.4 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | 52 | 108.7 | 81.9 | -77.4 | -164.7 | 55.4 | 0 | 0 | 116.8 | |||||
| 18 | T | 30.6 | Very low | 40.5 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 92% | 0.92 | 77% | 0.773 | S | S | * | * | trans | -146.1 | 124.6 | 136.4 | 57.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 19 | S | 41.5 | Very low | 39.4 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -91.3 | 147.1 | 172 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 20 | S | 38.1 | Very low | 39.8 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -166.4 | 129.6 | 136.2 | 45.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 21 | S | 35.3 | Very low | 39.1 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -53.3 | 165.2 | 159.1 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 22 | S | 32.5 | Very low | 39 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | cis | 177 | 136.3 | 49.2 | 45.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 23 | S | 35.1 | Very low | 39 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | 44.4 | 140.5 | 133.1 | 70.4 | 0 | 0 | 0 | 0 | 125 | ||||
| 24 | S | 33.1 | Very low | 39.1 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 92.7 | 140.9 | 140.5 | -52.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 25 | S | 36 | Very low | 39 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | cis | 178.5 | 141.9 | -11.4 | -89.8 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 26 | N | 35 | Very low | 39.3 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -158.3 | 110 | 148 | -95.2 | -18.3 | 0 | 0 | 0 | 109.4 | ||||
| 27 | N | 37.5 | Very low | 39.5 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -82.6 | -165.4 | 170.3 | -76.6 | -18.7 | 0 | 0 | 0 | 109.9 | ||||
| 28 | P | 51.7 | Low | 39.9 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | -133.9 | 169.3 | -68.3 | 39.3 | -23.6 | 0 | 0 | 0 | 112.1 | |||||
| 29 | Y | 29.6 | Very low | 40.9 | Very low | 214 Ų | 214 | 139.2 Ų | 139.2 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -154.7 | 117 | 146.4 | -171.8 | -105.2 | 0 | 0 | 0 | 109.5 | ||||
| 30 | M | 53.7 | Low | 41.2 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | -94.3 | 136.3 | 172.1 | -87.7 | -174.5 | 153 | 0 | 0 | 108.8 | ||||
| 31 | E | 36.8 | Very low | 41.3 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 63% | 0.626 | 78% | 0.781 | S | S | * | * | trans | -156.1 | 126 | 131.9 | -162.7 | 110.6 | 87.4 | 0 | 0 | 111.8 | ||||
| 32 | K | 41.6 | Very low | 41.5 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | trans | -1.1 | 137.2 | 155.9 | -59.3 | 158.4 | -171.5 | 130 | 0 | 117.7 | ||||
| 33 | S | 44.7 | Very low | 42.3 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | -160 | 123.9 | 124.4 | -76.2 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 34 | R | 44.3 | Very low | 42.8 | Very low | 250 Ų | 250 | 146.6 Ų | 146.6 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | trans | -60.2 | 142.9 | 163.8 | -69.9 | 172 | 167.7 | 133.8 | -4 | 107.8 | ||||
| 35 | G | 46 | Very low | 43.7 | Very low | 69 Ų | 69 | 149.7 Ų | 149.7 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -59.7 | 168.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 36 | L | 46.2 | Very low | 44.4 | Very low | 167 Ų | 167 | 156.5 Ų | 156.5 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | 175.7 | 142.3 | 139.6 | -89 | 166 | 0 | 0 | 0 | 107.4 | ||||
| 37 | F | 39.3 | Very low | 44.6 | Very low | 185 Ų | 185 | 155 Ų | 155 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | 73.5 | 90.7 | -176 | -81.5 | -96.5 | 0 | 0 | 0 | 114.9 | ||||
| 38 | A | 50.3 | Low | 44.6 | Very low | 83 Ų | 83 | 150.6 Ų | 150.6 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | 50.8 | 87.4 | 53.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 39 | E | 49.8 | Very low | 44 | Very low | 182 Ų | 182 | 151.3 Ų | 151.3 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | 169.4 | 139.7 | 122 | -89 | 175.6 | 111.2 | 0 | 0 | 109.6 | |||||
| 40 | D | 48.1 | Very low | 44.5 | Very low | 143 Ų | 143 | 149.1 Ų | 149.1 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 66.6 | 76.8 | 164.8 | -154 | -109.6 | 0 | 0 | 0 | 119.4 | ||
| 41 | F | 40.2 | Very low | 43.9 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | -162.5 | 48.4 | 151.7 | -106.3 | -71.9 | 0 | 0 | 0 | 112 | F44 | F41-F44 HydrophobicContact CD1-CE2 4.37Å; F41-F44 HydrophobicContact CE1-CE2 4.18Å | ||
| 42 | G | 40.7 | Very low | 44.2 | Very low | 77 Ų | 77 | 145.3 Ų | 145.3 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -121.9 | 48.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 43 | S | 48.3 | Very low | 44.1 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -159.8 | 69.9 | 168.3 | 39.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 44 | F | 47.2 | Very low | 44.2 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 74% | 0.737 | 79% | 0.785 | S | S | * | * | trans | -105.5 | 119.8 | 160 | -90.2 | -93.9 | 0 | 0 | 0 | 109.1 | F41 | F41-F44 HydrophobicContact CD1-CE2 4.37Å; F41-F44 HydrophobicContact CE1-CE2 4.18Å | ||
| 45 | M | 51.3 | Low | 44 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | 87.4 | 62.1 | 174.3 | -44.8 | -50.8 | 177.5 | 0 | 0 | 116.9 | ||||
| 46 | R | 49.3 | Very low | 44 | Very low | 238 Ų | 238 | 135.2 Ų | 135.2 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | trans | -108.1 | 128.4 | 137.6 | -113.8 | -179.1 | 165.3 | -158.4 | -4.4 | 107 | G48 | R46-G48 PolarHBondContact O-N 3.05Š| ||
| 47 | P | 39.8 | Very low | 44.3 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | -71.8 | 96.7 | 176.5 | 17.1 | -9.7 | 0 | 0 | 0 | 108.4 | ||||
| 48 | G | 38 | Very low | 44.7 | Very low | 62 Ų | 62 | 135.2 Ų | 135.2 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | trans | -84.9 | 119.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | R46 D50 | R46-G48 PolarHBondContact O-N 3.05Å; G48-D50 PolarHBondContact O-N 2.92Å | ||
| 49 | T | 39.7 | Very low | 44.8 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -71.3 | 115.9 | 163.3 | 52.9 | 0 | 0 | 0 | 0 | 107.6 | A51 | T49-A51 PolarHBondContact O-N 2.89Š| ||
| 50 | D | 39.3 | Very low | 44.8 | Very low | 167 Ų | 167 | 130 Ų | 130 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | trans | -67.6 | 77.5 | 169.4 | -69.7 | -65.6 | 0 | 0 | 0 | 109.8 | G48 | G48-D50 PolarHBondContact O-N 2.92Š| ||
| 51 | A | 41.5 | Very low | 45.3 | Very low | 81 Ų | 81 | 127.2 Ų | 127.2 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | trans | -79.4 | 111.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | T49 G53 | T49-A51 PolarHBondContact O-N 2.89Å; A51-G53 PolarHBondContact O-N 3.45Å | ||
| 52 | L | 42.7 | Very low | 46.3 | Very low | 146 Ų | 146 | 119 Ų | 119 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | trans | -44.4 | 112.2 | 163.3 | -62.8 | 171.1 | 0 | 0 | 0 | 107.6 | F54 | L52-F54 VanDerWaalsContact C-N 3.27Å; L52-F54 HydrophobicContact CB-CE2 4.49Å; L52-F54 VanDerWaalsContact O-CD2 3.25Å; L52-F54 WeakPolarHBondContact O-CD2 3.32Å; L52-F54 PolarHBondContact O-N 2.67Å | ||
| 53 | G | 38.9 | Very low | 48 | Very low | 76 Ų | 76 | 124.1 Ų | 124.1 | 78% | 0.784 | 72% | 0.716 | S | S | * | * | trans | -68.5 | 84.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | A51 | A51-G53 PolarHBondContact O-N 3.45Š| ||
| 54 | F | 46.8 | Very low | 49.9 | Very low | 115 Ų | 115 | 121.1 Ų | 121.1 | 50% | 0.504 | 69% | 0.69 | S | S | . | * | trans | -60.1 | 124.7 | 158.1 | -64 | -80.3 | 0 | 0 | 0 | 106.7 | L52 S56 V107 M108 | L52-F54 VanDerWaalsContact C-N 3.27Å; L52-F54 HydrophobicContact CB-CE2 4.49Å; L52-F54 VanDerWaalsContact O-CD2 3.25Å; L52-F54 WeakPolarHBondContact O-CD2 3.32Å; L52-F54 PolarHBondContact O-N 2.67Å; F54-S56 PolarHBondContact O-N 2.75Å; F54-V107 WeakPolarHBondContact CE1-O 3.35Å; F54-V107 WeakPolarHBondContact CZ-O 3.44Å; F54-M108 WeakPolarHBondContact CD1-O 3.18Å; F54-M108 WeakPolarHBondContact CE1-O 3.49Å | ||
| 55 | P | 41.5 | Very low | 52 | Low | 103 Ų | 103 | 118.7 Ų | 118.7 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | trans | -65.3 | 93.4 | 172 | 27.9 | -32.4 | 0 | 0 | 0 | 107.1 | R57 | P55-R57 PolarHBondContact O-N 2.78Š| ||
| 56 | S | 45.3 | Very low | 54 | Low | 102 Ų | 102 | 114.3 Ų | 114.3 | 71% | 0.713 | 66% | 0.663 | S | S | * | * | trans | -65.3 | 89.7 | 162.9 | -172.9 | 0 | 0 | 0 | 0 | 105.7 | F54 T58 | F54-S56 PolarHBondContact O-N 2.75Å; S56-T58 PolarHBondContact O-N 2.82Å | ||
| 57 | R | 52 | Low | 55.9 | Low | 223 Ų | 223 | 107.2 Ų | 107.2 | 84% | 0.842 | 64% | 0.641 | S | S | * | * | trans | -63 | 92.8 | 166.6 | -71.6 | 179.6 | 136.5 | -132.2 | -2.5 | 105 | P55 G59 | P55-R57 PolarHBondContact O-N 2.78Å; R57-G59 PolarHBondContact O-N 3.09Å | ||
| 58 | T | 48 | Very low | 58.3 | Low | 129 Ų | 129 | 103.5 Ų | 103.5 | 79% | 0.791 | 63% | 0.627 | S | S | * | * | trans | -52.5 | 108.9 | 169.4 | 39.6 | 0 | 0 | 0 | 0 | 107 | S56 T60 | S56-T58 PolarHBondContact O-N 2.82Å; T58-T60 PolarHBondContact O-N 2.98Å | ||
| 59 | G | 51.6 | Low | 60.8 | Low | 39 Ų | 39 | 104.3 Ų | 104.3 | 40% | 0.402 | 62% | 0.617 | S | S | . | * | trans | -53.3 | 122.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | R57 A61 | R57-G59 PolarHBondContact O-N 3.09Å; G59-A61 PolarHBondContact O-N 3.08Å | ||
| 60 | T | 50.5 | Low | 63.3 | Low | 117 Ų | 117 | 99.1 Ų | 99.1 | 72% | 0.718 | 59% | 0.586 | S | S | * | * | trans | -45.2 | 126.9 | 164.8 | -48.7 | 0 | 0 | 0 | 0 | 107.6 | T58 G62 H113 | T58-T60 PolarHBondContact O-N 2.98Å; T60-G62 PolarHBondContact O-N 2.75Å; T60-H113 PolarHBondContact O-CE1 3.18Å; T60-H113 PolarHBondContact O-NE2 3.06Å | ||
| 61 | A | 57.9 | Low | 65.9 | Low | 85 Ų | 85 | 91.9 Ų | 91.9 | 70% | 0.702 | 55% | 0.546 | S | S | * | . | trans | -59.7 | 109.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | G59 K63 | G59-A61 PolarHBondContact O-N 3.08Å; A61-K63 PolarHBondContact O-N 3.25Å | ||
| 62 | G | 62 | Low | 68.5 | Low | 16 Ų | 16 | 90.1 Ų | 90.1 | 17% | 0.165 | 52% | 0.524 | C | S | . | . | trans | -68.6 | 135.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T60 I64 H113 | T60-G62 PolarHBondContact O-N 2.75Å; G62-I64 PolarHBondContact O-N 3.39Å; G62-H113 WeakPolarHBondContact CA-NE2 3.31Å; G62-H113 PolarHBondContact N-NE2 2.81Å | ||
| 63 | K | 75.6 | Confident | 70.9 | Confident | 185 Ų | 185 | 83.2 Ų | 83.2 | 80% | 0.804 | 49% | 0.488 | S | S | * | . | trans | -75.9 | 109.8 | 178.6 | -76.3 | -163.7 | 173.4 | -157.3 | 0 | 109.4 | A61 | A61-K63 PolarHBondContact O-N 3.25Š| ||
| 64 | I | 89.2 | Confident | 73.6 | Confident | 48 Ų | 48 | 82.1 Ų | 82.1 | 25% | 0.246 | 47% | 0.466 | C | S | . | . | trans | -66.7 | 137 | 160.8 | -162.9 | 168.8 | 0 | 0 | 0 | 109.3 | G62 Y71 L117 | G62-I64 PolarHBondContact O-N 3.39Å; I64-Y71 HydrophobicContact CD1-CD1 4.18Å; I64-Y71 HydrophobicContact CD1-CG 4.07Å; I64-Y71 HydrophobicContact CG1-CD1 4.34Å; I64-Y71 HydrophobicContact CG1-CG 4.49Å; I64-L117 HydrophobicContact CD1-CD2 3.45Å; I64-L117 VanDerWaalsContact CD1-CD2 3.45Å | ||
| 65 | K | 91.9 | Very high | 75.8 | Confident | 117 Ų | 117 | 77 Ų | 77 | 51% | 0.509 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 134.6 | 178.3 | -60.6 | -178.8 | -180 | 176.8 | 0 | 109.2 | M67 Y71 Q72 | K65-M67 HydrophobicContact CB-CE 3.62Å; K65-M67 HydrophobicContact CD-CE 4.17Å; K65-M67 HydrophobicContact CG-CE 4.5Å; K65-Y71 CarbonylContact O-C 3.59Å; K65-Y71 WeakPolarHBondContact O-CA 3.46Å; K65-Q72 PolarHBondContact N-O 2.91Å; K65-Q72 PolarHBondContact O-N 3.42Å |
| 66 | T | 91.8 | Very high | 78.4 | Confident | 82 Ų | 82 | 75.6 Ų | 75.6 | 50% | 0.503 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 123 | 172.7 | -47.8 | 0 | 0 | 0 | 0 | 109.5 | Y71 | T66-Y71 HydrophobicContact CG2-CD1 4.26Å; T66-Y71 HydrophobicContact CG2-CE1 3.85Å; T66-Y71 WeakPolarHBondContact OG1-CE1 3.49Å |
| 67 | M | 91 | Very high | 80.7 | Confident | 90 Ų | 90 | 70.9 Ų | 70.9 | 44% | 0.443 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 70.1 | -179.5 | -66.4 | -65.8 | 130.8 | 0 | 0 | 109.1 | K65 D69 S70 Q72 | K65-M67 HydrophobicContact CB-CE 3.62Å; K65-M67 HydrophobicContact CD-CE 4.17Å; K65-M67 HydrophobicContact CG-CE 4.5Å; M67-D69 PolarHBondContact O-N 3.36Å; M67-S70 CarbonylContact C-O 3.56Å; M67-S70 WeakPolarHBondContact CA-O 3.48Å; M67-S70 WeakPolarHBondContact CB-OG 3.18Å; M67-S70 PolarHBondContact N-O 2.81Å; M67-S70 PolarHBondContact O-N 3.23Å; M67-S70 PolarHBondContact O-OG 3.23Å; M67-S70 VanDerWaalsContact O-OG 3.09Å; M67-Q72 HydrophobicContact CG-CB 4.08Å |
| 68 | G | 89.1 | Confident | 82.8 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 60% | 0.598 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | -98.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R142 | G68-R142 WeakPolarHBondContact O-CD 3.3Å; G68-R142 PolarHBondContact O-NH1 2.74Å |
| 69 | D | 90.3 | Very high | 85 | Confident | 80 Ų | 80 | 64.6 Ų | 64.6 | 43% | 0.428 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 11.9 | 179.6 | 68.9 | -20.8 | 0 | 0 | 0 | 113.6 | M67 R141 R142 | M67-D69 PolarHBondContact O-N 3.36Å; D69-R141 IonicContact OD1-NH1 3.68Å; D69-R141 IonicContact OD2-CZ 3.03Å; D69-R141 IonicContact OD2-NH1 2.62Å; D69-R141 PolarHBondContact OD2-NH1 3.01Å; D69-R141 IonicContact OD2-NH2 2.88Å; D69-R141 PolarHBondContact OD2-NH2 2.67Å; D69-R142 WeakPolarHBondContact O-CB 3.42Å; D69-R142 WeakPolarHBondContact O-CG 3.37Å; D69-R142 PolarHBondContact O-N 2.89Å |
| 70 | S | 93 | Very high | 87.1 | Confident | 23 Ų | 23 | 63.7 Ų | 63.7 | 16% | 0.161 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 162.1 | 176.3 | 60.3 | 0 | 0 | 0 | 0 | 112.4 | M67 A140 | M67-S70 CarbonylContact C-O 3.56Å; M67-S70 WeakPolarHBondContact CA-O 3.48Å; M67-S70 WeakPolarHBondContact CB-OG 3.18Å; M67-S70 PolarHBondContact N-O 2.81Å; M67-S70 PolarHBondContact O-N 3.23Å; M67-S70 PolarHBondContact O-OG 3.23Å; M67-S70 VanDerWaalsContact O-OG 3.09Å; S70-A140 CarbonylContact C-O 3.52Å; S70-A140 WeakPolarHBondContact CA-O 3.24Å; S70-A140 VanDerWaalsContact CB-O 3.3Å; S70-A140 WeakPolarHBondContact CB-O 3.29Å |
| 71 | Y | 94.4 | Very high | 89.1 | Confident | 14 Ų | 14 | 60.2 Ų | 60.2 | 6% | 0.055 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 145.1 | 165.8 | -63.5 | -73.4 | 0 | 0 | 0 | 109.8 | I64 K65 T66 P118 D120 V121 K139 A140 R142 | I64-Y71 HydrophobicContact CD1-CD1 4.18Å; I64-Y71 HydrophobicContact CD1-CG 4.07Å; I64-Y71 HydrophobicContact CG1-CD1 4.34Å; I64-Y71 HydrophobicContact CG1-CG 4.49Å; K65-Y71 CarbonylContact O-C 3.59Å; K65-Y71 WeakPolarHBondContact O-CA 3.46Å; T66-Y71 HydrophobicContact CG2-CD1 4.26Å; T66-Y71 HydrophobicContact CG2-CE1 3.85Å; T66-Y71 WeakPolarHBondContact OG1-CE1 3.49Å; Y71-P118 HydrophobicContact CD1-CG 4.33Å; Y71-P118 HydrophobicContact CE1-CB 4.49Å; Y71-P118 HydrophobicContact CE1-CG 3.65Å; Y71-P118 HydrophobicContact CE2-CB 4.04Å; Y71-P118 HydrophobicContact CE2-CG 3.9Å; Y71-P118 VanDerWaalsContact CZ-CG 3.42Å; Y71-D120 PolarHBondContact OH-OD1 2.87Å; Y71-D120 PolarHBondContact OH-OD2 3.38Å; Y71-D120 VanDerWaalsContact OH-OD2 3.11Å; Y71-V121 HydrophobicContact CD2-CG2 3.35Å; Y71-V121 HydrophobicContact CE2-CG2 3.37Å; Y71-V121 HydrophobicContact CG-CG2 4.47Å; Y71-K139 CarbonylContact O-C 3.59Å; Y71-K139 VanDerWaalsContact O-CA 3.27Å; Y71-K139 WeakPolarHBondContact O-CA 3.33Å; Y71-A140 PolarHBondContact N-O 2.82Å; Y71-A140 PolarHBondContact O-N 2.8Å; Y71-R142 HydrophobicContact CD2-CG 3.83Å; Y71-R142 HydrophobicContact CE2-CG 3.39Å; Y71-R142 PolarHBondContact OH-NE 3.23Å |
| 72 | Q | 94.9 | Very high | 90.8 | Very high | 45 Ų | 45 | 60.1 Ų | 60.1 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 128.9 | 176.3 | -176 | 176.1 | -39.3 | 0 | 0 | 110 | K65 M67 T74 T137 V138 K139 | K65-Q72 PolarHBondContact N-O 2.91Å; K65-Q72 PolarHBondContact O-N 3.42Å; M67-Q72 HydrophobicContact CG-CB 4.08Å; Q72-T74 PolarHBondContact NE2-OG1 3.11Å; Q72-T137 HydrophobicContact CG-CG2 3.64Å; Q72-V138 CarbonylContact C-O 3.42Å; Q72-V138 WeakPolarHBondContact CA-O 3.22Å; Q72-K139 HydrophobicContact CB-CG 4.42Å; Q72-K139 HydrophobicContact CG-CG 4.17Å |
| 73 | F | 94.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 0% | 0.004 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.1 | 172.8 | 170.7 | -105.9 | 0 | 0 | 0 | 108.4 | V75 I94 V96 H113 C115 T137 V138 | F73-V75 HydrophobicContact CD1-CG1 4.21Å; F73-V75 HydrophobicContact CE1-CB 4.44Å; F73-V75 HydrophobicContact CE1-CG1 3.36Å; F73-V75 HydrophobicContact CE1-CG2 4.24Å; F73-V75 HydrophobicContact CE2-CG1 3.76Å; F73-V75 HydrophobicContact CZ-CB 4.5Å; F73-V75 HydrophobicContact CZ-CG1 3.12Å; F73-I94 HydrophobicContact CD1-CG2 4.21Å; F73-I94 HydrophobicContact CE1-CG2 4.25Å; F73-V96 HydrophobicContact CE1-CG2 3.71Å; F73-H113 AromaticContact CE2-CD2 3.66Å; F73-H113 AromaticContact CE2-NE2 3.92Å; F73-H113 HydrophobicContact CZ-CB 4.46Å; F73-H113 AromaticContact CZ-CD2 3.37Å; F73-H113 WeakPolarHBondContact CZ-CD2 3.41Å; F73-H113 AromaticContact CZ-NE2 4Å; F73-C115 HydrophobicContact CD2-CB 3.8Å; F73-C115 WeakPolarHBondContact CD2-SG 3.34Å; F73-C115 HydrophobicContact CE2-CB 3.66Å; F73-C115 HydrophobicContact CZ-CB 4.43Å; F73-T137 CarbonylContact O-C 3.58Å; F73-T137 WeakPolarHBondContact O-CA 3.21Å; F73-V138 HydrophobicContact CB-CB 4.4Å; F73-V138 HydrophobicContact CD1-CB 4.22Å; F73-V138 HydrophobicContact CD1-CG2 4.11Å; F73-V138 PolarHBondContact N-O 2.8Å; F73-V138 PolarHBondContact O-N 3.17Å |
| 74 | T | 94.3 | Very high | 93.2 | Very high | 52 Ų | 52 | 60 Ų | 60 | 32% | 0.319 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.9 | -176.9 | -60.2 | 0 | 0 | 0 | 0 | 109.2 | Q72 T135 L136 | Q72-T74 PolarHBondContact NE2-OG1 3.11Å; T74-T135 HydrophobicContact CG2-CG2 3.35Å; T74-L136 CarbonylContact C-O 3.58Å; T74-L136 VanDerWaalsContact CA-O 3.3Å; T74-L136 WeakPolarHBondContact CA-O 3.31Å |
| 75 | V | 94.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.048 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 150.4 | 177.8 | -62.1 | 0 | 0 | 0 | 0 | 110.4 | F73 V77 V96 F111 H113 L136 | F73-V75 HydrophobicContact CD1-CG1 4.21Å; F73-V75 HydrophobicContact CE1-CB 4.44Å; F73-V75 HydrophobicContact CE1-CG1 3.36Å; F73-V75 HydrophobicContact CE1-CG2 4.24Å; F73-V75 HydrophobicContact CE2-CG1 3.76Å; F73-V75 HydrophobicContact CZ-CB 4.5Å; F73-V75 HydrophobicContact CZ-CG1 3.12Å; V75-V77 HydrophobicContact CG2-CG1 4.12Å; V75-V96 HydrophobicContact CG2-CB 4.46Å; V75-V96 HydrophobicContact CG2-CG1 4.22Å; V75-V96 HydrophobicContact CG2-CG2 4.23Å; V75-F111 HydrophobicContact CB-CZ 4.24Å; V75-F111 HydrophobicContact CG2-CE1 4.47Å; V75-H113 HydrophobicContact CG1-CB 4.32Å; V75-L136 HydrophobicContact CG2-CB 3.87Å; V75-L136 HydrophobicContact CG2-CD2 3.95Å; V75-L136 HydrophobicContact CG2-CG 4.29Å; V75-L136 PolarHBondContact N-O 2.88Å; V75-L136 PolarHBondContact O-N 2.9Å |
| 76 | D | 94.3 | Very high | 93.7 | Very high | 74 Ų | 74 | 57.9 Ų | 57.9 | 40% | 0.396 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 127.4 | 173.2 | -179.6 | -117.8 | 0 | 0 | 0 | 109.7 | Q78 | D76-Q78 WeakPolarHBondContact OD1-CG 3.2Å |
| 77 | V | 94.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | trans | -133.2 | 24.6 | 179.6 | -65.2 | 0 | 0 | 0 | 0 | 111.3 | V75 D79 F80 V85 V96 F111 L130 G134 L136 | V75-V77 HydrophobicContact CG2-CG1 4.12Å; V77-D79 PolarHBondContact O-N 3.14Å; V77-F80 HydrophobicContact CB-CD2 4.46Å; V77-F80 PolarHBondContact O-N 3.1Å; V77-V85 HydrophobicContact CB-CG2 4.2Å; V77-V85 HydrophobicContact CG2-CG2 4.16Å; V77-V96 HydrophobicContact CG1-CG1 4.33Å; V77-F111 HydrophobicContact CG1-CD1 4.1Å; V77-F111 HydrophobicContact CG1-CE1 3.79Å; V77-F111 HydrophobicContact CG1-CZ 4.35Å; V77-L130 HydrophobicContact CG2-CD1 3.56Å; V77-G134 WeakPolarHBondContact CG2-O 3.3Å; V77-G134 PolarHBondContact N-O 2.84Å; V77-L136 HydrophobicContact CG2-CB 3.99Å | ||
| 78 | Q | 95.1 | Very high | 94.1 | Very high | 126 Ų | 126 | 54.9 Ų | 54.9 | 59% | 0.589 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -23.9 | -175.5 | 67.2 | 174.5 | 44.2 | 0 | 0 | 115.1 | D76 F80 | D76-Q78 WeakPolarHBondContact OD1-CG 3.2Å; Q78-F80 VanDerWaalsContact C-N 3.26Å; Q78-F80 PolarHBondContact O-N 2.91Å |
| 79 | D | 93.9 | Very high | 94.2 | Very high | 93 Ų | 93 | 54.9 Ų | 54.9 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -8.5 | -180 | -75.3 | -64.3 | 0 | 0 | 0 | 114 | V77 K100 | V77-D79 PolarHBondContact O-N 3.14Å; D79-K100 PolarHBondContact O-NZ 3.48Å; D79-K100 VanDerWaalsContact O-NZ 3.14Å |
| 80 | F | 95.4 | Very high | 94.3 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 9% | 0.092 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -117.6 | 149.9 | -173.6 | -58 | -88.9 | 0 | 0 | 0 | 111.7 | V77 Q78 V85 A98 K100 N109 F111 | V77-F80 HydrophobicContact CB-CD2 4.46Å; V77-F80 PolarHBondContact O-N 3.1Å; Q78-F80 VanDerWaalsContact C-N 3.26Å; Q78-F80 PolarHBondContact O-N 2.91Å; F80-V85 HydrophobicContact CB-CG2 4.06Å; F80-A98 HydrophobicContact CB-CB 4.07Å; F80-A98 HydrophobicContact CD1-CB 3.6Å; F80-A98 HydrophobicContact CD2-CB 3.99Å; F80-A98 HydrophobicContact CE1-CB 3.99Å; F80-A98 HydrophobicContact CE2-CB 4.35Å; F80-A98 HydrophobicContact CG-CB 3.6Å; F80-A98 HydrophobicContact CZ-CB 4.35Å; F80-K100 HydrophobicContact CD1-CB 3.94Å; F80-K100 HydrophobicContact CE1-CB 3.98Å; F80-N109 HydrophobicContact CE1-CB 4.05Å; F80-N109 HydrophobicContact CZ-CB 4.18Å; F80-N109 VanDerWaalsContact CZ-ND2 3.33Å; F80-N109 WeakPolarHBondContact CZ-ND2 3.31Å; F80-F111 HydrophobicContact CD2-CB 4.36Å; F80-F111 HydrophobicContact CE1-CB 4.32Å; F80-F111 HydrophobicContact CE2-CB 3.42Å; F80-F111 VanDerWaalsContact CE2-CB 3.42Å; F80-F111 HydrophobicContact CE2-CG 4.16Å; F80-F111 HydrophobicContact CZ-CB 3.39Å |
| 81 | S | 93.5 | Very high | 94.1 | Very high | 43 Ų | 43 | 59.7 Ų | 59.7 | 30% | 0.301 | 33% | 0.327 | S | S | . | . | trans | -74 | 147.8 | 173.3 | -32.5 | 0 | 0 | 0 | 0 | 109.5 | E83 D84 | S81-E83 VanDerWaalsContact CB-CD 3.46Å; S81-E83 PolarHBondContact O-N 3.16Å; S81-E83 VanDerWaalsContact O-N 3.17Å; S81-D84 WeakPolarHBondContact CB-OD2 3.49Å; S81-D84 PolarHBondContact N-OD2 2.71Å; S81-D84 WeakPolarHBondContact O-CB 3.4Å; S81-D84 PolarHBondContact O-N 2.8Å; S81-D84 PolarHBondContact OG-OD2 2.74Å | ||
| 82 | P | 93.9 | Very high | 93.9 | Very high | 84 Ų | 84 | 62 Ų | 62 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -53 | -36.8 | 176.9 | -27.5 | 35.7 | 0 | 0 | 0 | 113.7 | D84 V85 L130 | P82-D84 VanDerWaalsContact C-N 3.26Å; P82-D84 PolarHBondContact O-N 2.82Å; P82-V85 PolarHBondContact O-N 3.4Å; P82-L130 HydrophobicContact CB-CD2 3.69Å; P82-L130 HydrophobicContact CG-CD2 3.76Å |
| 83 | E | 93.4 | Very high | 93.7 | Very high | 152 Ų | 152 | 62.5 Ų | 62.5 | 71% | 0.71 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -66.4 | -23.5 | 176.5 | 58 | -96.5 | -148.9 | 0 | 0 | 114.4 | S81 V85 | S81-E83 VanDerWaalsContact CB-CD 3.46Å; S81-E83 PolarHBondContact O-N 3.16Å; S81-E83 VanDerWaalsContact O-N 3.17Å; E83-V85 VanDerWaalsContact C-N 3.34Å |
| 84 | D | 93.4 | Very high | 93.7 | Very high | 47 Ų | 47 | 62.6 Ų | 62.6 | 25% | 0.251 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -86.6 | -8.4 | -178.4 | -61.2 | -36 | 0 | 0 | 0 | 112.2 | S81 P82 A98 E99 | S81-D84 WeakPolarHBondContact CB-OD2 3.49Å; S81-D84 PolarHBondContact N-OD2 2.71Å; S81-D84 WeakPolarHBondContact O-CB 3.4Å; S81-D84 PolarHBondContact O-N 2.8Å; S81-D84 PolarHBondContact OG-OD2 2.74Å; P82-D84 VanDerWaalsContact C-N 3.26Å; P82-D84 PolarHBondContact O-N 2.82Å; D84-A98 VanDerWaalsContact O-CA 3.3Å; D84-A98 WeakPolarHBondContact O-CA 3.41Å; D84-E99 WeakPolarHBondContact CB-O 3.3Å |
| 85 | V | 95.5 | Very high | 93.7 | Very high | 25 Ų | 25 | 62.3 Ų | 62.3 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.6 | -174.6 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | V77 F80 P82 E83 V96 A98 L136 | V77-V85 HydrophobicContact CB-CG2 4.2Å; V77-V85 HydrophobicContact CG2-CG2 4.16Å; F80-V85 HydrophobicContact CB-CG2 4.06Å; P82-V85 PolarHBondContact O-N 3.4Å; E83-V85 VanDerWaalsContact C-N 3.34Å; V85-V96 HydrophobicContact CG1-CG1 3.93Å; V85-A98 HydrophobicContact CB-CB 4.47Å; V85-A98 HydrophobicContact CG2-CB 3.92Å; V85-L136 HydrophobicContact CG1-CD2 4.06Å |
| 86 | I | 96.6 | Very high | 93.8 | Very high | 94 Ų | 94 | 62 Ų | 62 | 48% | 0.482 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 126.5 | -179.5 | -57 | 173.9 | 0 | 0 | 0 | 109.4 | V96 H97 | I86-V96 WeakPolarHBondContact O-CA 3.22Å; I86-H97 PolarHBondContact N-O 3.19Å; I86-H97 PolarHBondContact O-N 2.83Å |
| 87 | V | 95.8 | Very high | 93.8 | Very high | 47 Ų | 47 | 60.9 Ų | 60.9 | 29% | 0.285 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 117.3 | 172.3 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | I94 E95 V96 L136 V138 | V87-I94 HydrophobicContact CG1-CG2 4.08Å; V87-E95 WeakPolarHBondContact CA-O 3.29Å; V87-V96 HydrophobicContact CG1-CG2 4.47Å; V87-V96 HydrophobicContact CG2-CG2 4.28Å; V87-L136 HydrophobicContact CG2-CD2 3.74Å; V87-V138 HydrophobicContact CG1-CG2 4.02Å |
| 88 | T | 95.3 | Very high | 93.9 | Very high | 63 Ų | 63 | 60.7 Ų | 60.7 | 39% | 0.387 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 133.2 | 175.9 | -58.5 | 0 | 0 | 0 | 0 | 109.4 | I94 E95 | T88-I94 CarbonylContact O-C 3.56Å; T88-I94 WeakPolarHBondContact O-CA 3.41Å; T88-E95 PolarHBondContact N-O 2.98Å; T88-E95 PolarHBondContact O-N 3.09Å |
| 89 | T | 92.4 | Very high | 93.9 | Very high | 57 Ų | 57 | 58 Ų | 58 | 35% | 0.35 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 116.4 | 170.1 | -54.6 | 0 | 0 | 0 | 0 | 109.2 | Q93 I94 L117 V126 | T89-Q93 VanDerWaalsContact CA-O 3.31Å; T89-Q93 WeakPolarHBondContact CA-O 3.36Å; T89-I94 HydrophobicContact CG2-CG1 4.35Å; T89-L117 HydrophobicContact CG2-CD1 3.96Å; T89-V126 HydrophobicContact CG2-CG2 4.33Å |
| 90 | S | 91.4 | Very high | 94 | Very high | 57 Ų | 57 | 57.4 Ų | 57.4 | 40% | 0.399 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 149.5 | 177.8 | 65.2 | 0 | 0 | 0 | 0 | 110.5 | N92 Q93 | S90-N92 VanDerWaalsContact C-N 3.29Å; S90-N92 PolarHBondContact O-N 3.48Å; S90-N92 VanDerWaalsContact O-N 3.17Å; S90-Q93 PolarHBondContact N-O 3.21Å; S90-Q93 WeakPolarHBondContact O-CA 3.49Å; S90-Q93 WeakPolarHBondContact O-CB 3.35Å; S90-Q93 PolarHBondContact O-N 3.05Å; S90-Q93 VanDerWaalsContact O-O 3.12Å |
| 91 | N | 89.3 | Confident | 93.9 | Very high | 147 Ų | 147 | 60.4 Ų | 60.4 | 79% | 0.786 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 44.9 | 176.1 | -57.6 | -37.1 | 0 | 0 | 0 | 114.5 | Q93 Q116 | N91-Q93 PolarHBondContact O-N 3.41Å; N91-Q116 PolarHBondContact O-NE2 2.99Å |
| 92 | N | 89.3 | Confident | 94 | Very high | 62 Ų | 62 | 59.8 Ų | 59.8 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 32.4 | -174.5 | -65.8 | 78.6 | 0 | 0 | 0 | 112.9 | S90 Q116 L117 P118 | S90-N92 VanDerWaalsContact C-N 3.29Å; S90-N92 PolarHBondContact O-N 3.48Å; S90-N92 VanDerWaalsContact O-N 3.17Å; N92-Q116 VanDerWaalsContact O-CD 3.27Å; N92-Q116 PolarHBondContact O-NE2 3.33Å; N92-L117 HydrophobicContact CB-CB 4.37Å; N92-L117 WeakPolarHBondContact O-CA 3.41Å; N92-L117 WeakPolarHBondContact O-CB 3.43Å; N92-L117 PolarHBondContact O-N 2.84Å; N92-P118 PolarHBondContact ND2-O 3.41Å |
| 93 | Q | 91.8 | Very high | 94 | Very high | 57 Ų | 57 | 61.4 Ų | 61.4 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138 | 177.1 | -179 | 172 | 101.4 | 0 | 0 | 109.1 | T89 S90 N91 K114 C115 | T89-Q93 VanDerWaalsContact CA-O 3.31Å; T89-Q93 WeakPolarHBondContact CA-O 3.36Å; S90-Q93 PolarHBondContact N-O 3.21Å; S90-Q93 WeakPolarHBondContact O-CA 3.49Å; S90-Q93 WeakPolarHBondContact O-CB 3.35Å; S90-Q93 PolarHBondContact O-N 3.05Å; S90-Q93 VanDerWaalsContact O-O 3.12Å; N91-Q93 PolarHBondContact O-N 3.41Å; Q93-K114 HydrophobicContact CG-CB 4.49Å; Q93-C115 WeakPolarHBondContact CA-O 3.34Å; Q93-C115 WeakPolarHBondContact CG-O 3.41Å |
| 94 | I | 93.3 | Very high | 94 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133.6 | 165.3 | -64.3 | 164.4 | 0 | 0 | 0 | 107.2 | F73 V87 T88 T89 V96 K114 C115 L117 V138 | F73-I94 HydrophobicContact CD1-CG2 4.21Å; F73-I94 HydrophobicContact CE1-CG2 4.25Å; V87-I94 HydrophobicContact CG1-CG2 4.08Å; T88-I94 CarbonylContact O-C 3.56Å; T88-I94 WeakPolarHBondContact O-CA 3.41Å; T89-I94 HydrophobicContact CG2-CG1 4.35Å; I94-V96 HydrophobicContact CG2-CG2 4.35Å; I94-K114 CarbonylContact O-C 3.59Å; I94-K114 VanDerWaalsContact O-CA 3.27Å; I94-K114 WeakPolarHBondContact O-CA 3.42Å; I94-C115 PolarHBondContact N-O 3.26Å; I94-C115 PolarHBondContact O-N 2.69Å; I94-L117 HydrophobicContact CD1-CD1 4.04Å; I94-L117 HydrophobicContact CD1-CD2 3.5Å; I94-L117 VanDerWaalsContact CD1-CD2 3.5Å; I94-L117 HydrophobicContact CD1-CG 3.96Å; I94-L117 HydrophobicContact CG1-CD1 3.79Å; I94-L117 HydrophobicContact CG1-CD2 4.07Å; I94-L117 HydrophobicContact CG1-CG 3.94Å; I94-V138 HydrophobicContact CD1-CB 4.3Å; I94-V138 HydrophobicContact CD1-CG1 3.68Å; I94-V138 HydrophobicContact CG1-CG1 4.47Å; I94-V138 HydrophobicContact CG2-CG1 4.48Å; I94-V138 HydrophobicContact CG2-CG2 4.47Å |
| 95 | E | 94.8 | Very high | 94 | Very high | 46 Ų | 46 | 60.1 Ų | 60.1 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.7 | 170.8 | 173.5 | 165.6 | -175.5 | 0 | 0 | 108.9 | V87 T88 T112 H113 K114 | V87-E95 WeakPolarHBondContact CA-O 3.29Å; T88-E95 PolarHBondContact N-O 2.98Å; T88-E95 PolarHBondContact O-N 3.09Å; E95-T112 HydrophobicContact CG-CG2 4.35Å; E95-H113 CarbonylContact C-O 3.55Å; E95-H113 WeakPolarHBondContact CA-O 3.45Å; E95-K114 HydrophobicContact CB-CD 4.4Å; E95-K114 HydrophobicContact CB-CG 4.16Å; E95-K114 HydrophobicContact CG-CD 4.23Å; E95-K114 HydrophobicContact CG-CG 4.03Å; E95-K114 WeakPolarHBondContact OE1-CE 3.38Å; E95-K114 IonicContact OE1-NZ 3.53Å; E95-K114 PolarHBondContact OE1-NZ 3.26Å; E95-K114 WeakPolarHBondContact OE2-CE 3.45Å; E95-K114 IonicContact OE2-NZ 2.77Å; E95-K114 PolarHBondContact OE2-NZ 2.93Å |
| 96 | V | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.4 | 169.5 | -179.8 | 0 | 0 | 0 | 0 | 107.1 | F73 V75 V77 V85 I86 V87 I94 F111 T112 H113 L136 | F73-V96 HydrophobicContact CE1-CG2 3.71Å; V75-V96 HydrophobicContact CG2-CB 4.46Å; V75-V96 HydrophobicContact CG2-CG1 4.22Å; V75-V96 HydrophobicContact CG2-CG2 4.23Å; V77-V96 HydrophobicContact CG1-CG1 4.33Å; V85-V96 HydrophobicContact CG1-CG1 3.93Å; I86-V96 WeakPolarHBondContact O-CA 3.22Å; V87-V96 HydrophobicContact CG1-CG2 4.47Å; V87-V96 HydrophobicContact CG2-CG2 4.28Å; I94-V96 HydrophobicContact CG2-CG2 4.35Å; V96-F111 HydrophobicContact CB-CE1 4.38Å; V96-F111 HydrophobicContact CG1-CD1 4.39Å; V96-F111 HydrophobicContact CG1-CE1 3.99Å; V96-T112 CarbonylContact O-C 3.52Å; V96-T112 WeakPolarHBondContact O-CA 3.39Å; V96-H113 HydrophobicContact CB-CB 4.46Å; V96-H113 PolarHBondContact N-O 2.85Å; V96-H113 PolarHBondContact O-N 2.83Å; V96-L136 HydrophobicContact CB-CD2 4.41Å; V96-L136 HydrophobicContact CG1-CD2 3.68Å; V96-L136 HydrophobicContact CG2-CD2 3.78Å |
| 97 | H | 95.9 | Very high | 93.9 | Very high | 51 Ų | 51 | 60.2 Ų | 60.2 | 24% | 0.236 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.8 | 176.2 | -177 | -93.1 | 0 | 0 | 0 | 109 | I86 F111 | I86-H97 PolarHBondContact N-O 3.19Å; I86-H97 PolarHBondContact O-N 2.83Å; H97-F111 CarbonylContact C-O 3.49Å; H97-F111 VanDerWaalsContact CA-O 3.31Å; H97-F111 WeakPolarHBondContact CA-O 3.27Å |
| 98 | A | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 139.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F80 D84 V85 T110 F111 | F80-A98 HydrophobicContact CB-CB 4.07Å; F80-A98 HydrophobicContact CD1-CB 3.6Å; F80-A98 HydrophobicContact CD2-CB 3.99Å; F80-A98 HydrophobicContact CE1-CB 3.99Å; F80-A98 HydrophobicContact CE2-CB 4.35Å; F80-A98 HydrophobicContact CG-CB 3.6Å; F80-A98 HydrophobicContact CZ-CB 4.35Å; D84-A98 VanDerWaalsContact O-CA 3.3Å; D84-A98 WeakPolarHBondContact O-CA 3.41Å; V85-A98 HydrophobicContact CB-CB 4.47Å; V85-A98 HydrophobicContact CG2-CB 3.92Å; A98-T110 CarbonylContact O-C 3.54Å; A98-T110 WeakPolarHBondContact O-CA 3.41Å; A98-F111 HydrophobicContact CB-CB 4.28Å; A98-F111 PolarHBondContact N-O 2.79Å; A98-F111 PolarHBondContact O-N 2.97Å |
| 99 | E | 95.9 | Very high | 93.9 | Very high | 68 Ų | 68 | 62.6 Ų | 62.6 | 32% | 0.318 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 123 | -179.5 | -170.4 | 174 | 113.8 | 0 | 0 | 109.7 | D84 L101 V107 N109 | D84-E99 WeakPolarHBondContact CB-O 3.3Å; E99-L101 HydrophobicContact CG-CD2 4.09Å; E99-L101 VanDerWaalsContact OE1-CD2 3.29Å; E99-L101 WeakPolarHBondContact OE1-CD2 3.18Å; E99-V107 HydrophobicContact CG-CG1 3.74Å; E99-V107 HydrophobicContact CG-CG2 4.19Å; E99-V107 WeakPolarHBondContact OE1-CG2 3.44Å; E99-N109 CarbonylContact C-O 3.55Å; E99-N109 WeakPolarHBondContact CA-O 3.26Å |
| 100 | K | 95.2 | Very high | 94 | Very high | 81 Ų | 81 | 62.9 Ų | 62.9 | 35% | 0.352 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.6 | 176.9 | -172.5 | 174.4 | -169.3 | 158.7 | 0 | 108.9 | D79 F80 M108 N109 | D79-K100 PolarHBondContact O-NZ 3.48Å; D79-K100 VanDerWaalsContact O-NZ 3.14Å; F80-K100 HydrophobicContact CD1-CB 3.94Å; F80-K100 HydrophobicContact CE1-CB 3.98Å; K100-M108 WeakPolarHBondContact O-CB 3.1Å; K100-M108 PolarHBondContact O-N 2.95Å; K100-N109 HydrophobicContact CB-CB 3.92Å; K100-N109 PolarHBondContact N-O 3.43Å; K100-N109 PolarHBondContact O-N 3.09Å |
| 101 | L | 94.4 | Very high | 94.2 | Very high | 84 Ų | 84 | 62.2 Ų | 62.2 | 44% | 0.44 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 146.3 | 178.4 | -60.8 | -178.7 | 0 | 0 | 0 | 111.6 | E99 T106 V107 | E99-L101 HydrophobicContact CG-CD2 4.09Å; E99-L101 VanDerWaalsContact OE1-CD2 3.29Å; E99-L101 WeakPolarHBondContact OE1-CD2 3.18Å; L101-T106 CarbonylContact C-O 3.57Å; L101-T106 WeakPolarHBondContact CA-O 3.21Å; L101-V107 HydrophobicContact CD2-CB 4.31Å; L101-V107 HydrophobicContact CD2-CG2 3.76Å |
| 102 | A | 94 | Very high | 94.4 | Very high | 30 Ų | 30 | 57.5 Ų | 57.5 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 169.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | D104 G105 T106 M108 | A102-D104 VanDerWaalsContact CB-OD1 3.24Å; A102-D104 WeakPolarHBondContact CB-OD1 3.37Å; A102-D104 PolarHBondContact O-N 3.38Å; A102-D104 VanDerWaalsContact O-N 3.16Å; A102-G105 PolarHBondContact O-N 2.82Å; A102-T106 PolarHBondContact N-O 3.26Å; A102-M108 HydrophobicContact CB-CG 3.75Å; A102-M108 HydrophobicContact CB-SD 3.7Å |
| 103 | A | 94 | Very high | 94.6 | Very high | 119 Ų | 119 | 55.5 Ų | 55.5 | 98% | 0.983 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G105 | A103-G105 VanDerWaalsContact C-N 3.33Š|
| 104 | D | 95.3 | Very high | 94.7 | Very high | 124 Ų | 124 | 57.1 Ų | 57.1 | 66% | 0.663 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 2.1 | 176 | 65.6 | -6.6 | 0 | 0 | 0 | 113.3 | A102 T106 | A102-D104 VanDerWaalsContact CB-OD1 3.24Å; A102-D104 WeakPolarHBondContact CB-OD1 3.37Å; A102-D104 PolarHBondContact O-N 3.38Å; A102-D104 VanDerWaalsContact O-N 3.16Å; D104-T106 VanDerWaalsContact CG-OG1 3.25Å; D104-T106 VanDerWaalsContact OD1-CB 3.23Å; D104-T106 WeakPolarHBondContact OD1-CB 3.36Å; D104-T106 PolarHBondContact OD1-N 2.92Å; D104-T106 PolarHBondContact OD1-OG1 2.77Å; D104-T106 PolarHBondContact OD2-OG1 3Å; D104-T106 VanDerWaalsContact OD2-OG1 3.1Å |
| 105 | G | 92.4 | Very high | 94.6 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 49% | 0.485 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 84.5 | 5.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A102 A103 | A102-G105 PolarHBondContact O-N 2.82Å; A103-G105 VanDerWaalsContact C-N 3.33Å |
| 106 | T | 95.4 | Very high | 94.4 | Very high | 73 Ų | 73 | 60.3 Ų | 60.3 | 45% | 0.448 | 34% | 0.343 | S | S | . | . | trans | -70.7 | 132.2 | 175.9 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | L101 A102 D104 M108 | L101-T106 CarbonylContact C-O 3.57Å; L101-T106 WeakPolarHBondContact CA-O 3.21Å; A102-T106 PolarHBondContact N-O 3.26Å; D104-T106 VanDerWaalsContact CG-OG1 3.25Å; D104-T106 VanDerWaalsContact OD1-CB 3.23Å; D104-T106 WeakPolarHBondContact OD1-CB 3.36Å; D104-T106 PolarHBondContact OD1-N 2.92Å; D104-T106 PolarHBondContact OD1-OG1 2.77Å; D104-T106 PolarHBondContact OD2-OG1 3Å; D104-T106 VanDerWaalsContact OD2-OG1 3.1Å; T106-M108 PolarHBondContact O-N 3.06Å | ||
| 107 | V | 95 | Very high | 94.2 | Very high | 49 Ų | 49 | 60.7 Ų | 60.7 | 30% | 0.297 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 117.4 | 174.3 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | F54 E99 L101 T110 | F54-V107 WeakPolarHBondContact CE1-O 3.35Å; F54-V107 WeakPolarHBondContact CZ-O 3.44Å; E99-V107 HydrophobicContact CG-CG1 3.74Å; E99-V107 HydrophobicContact CG-CG2 4.19Å; E99-V107 WeakPolarHBondContact OE1-CG2 3.44Å; L101-V107 HydrophobicContact CD2-CB 4.31Å; L101-V107 HydrophobicContact CD2-CG2 3.76Å; V107-T110 WeakPolarHBondContact CG1-OG1 2.82Å |
| 108 | M | 95.3 | Very high | 93.9 | Very high | 102 Ų | 102 | 60.2 Ų | 60.2 | 50% | 0.502 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -35.9 | 178 | -64.2 | -174.2 | 70.8 | 0 | 0 | 112.6 | F54 K100 A102 T106 | F54-M108 WeakPolarHBondContact CD1-O 3.18Å; F54-M108 WeakPolarHBondContact CE1-O 3.49Å; K100-M108 WeakPolarHBondContact O-CB 3.1Å; K100-M108 PolarHBondContact O-N 2.95Å; A102-M108 HydrophobicContact CB-CG 3.75Å; A102-M108 HydrophobicContact CB-SD 3.7Å; T106-M108 PolarHBondContact O-N 3.06Å |
| 109 | N | 94.9 | Very high | 93.6 | Very high | 57 Ų | 57 | 68.1 Ų | 68.1 | 31% | 0.305 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 147.2 | -178.6 | -165.4 | 10.7 | 0 | 0 | 0 | 110.3 | F80 E99 K100 | F80-N109 HydrophobicContact CE1-CB 4.05Å; F80-N109 HydrophobicContact CZ-CB 4.18Å; F80-N109 VanDerWaalsContact CZ-ND2 3.33Å; F80-N109 WeakPolarHBondContact CZ-ND2 3.31Å; E99-N109 CarbonylContact C-O 3.55Å; E99-N109 WeakPolarHBondContact CA-O 3.26Å; K100-N109 HydrophobicContact CB-CB 3.92Å; K100-N109 PolarHBondContact N-O 3.43Å; K100-N109 PolarHBondContact O-N 3.09Å |
| 110 | T | 95 | Very high | 93.3 | Very high | 64 Ų | 64 | 66.1 Ų | 66.1 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 138.2 | 175.5 | -51.4 | 0 | 0 | 0 | 0 | 109 | A98 V107 | A98-T110 CarbonylContact O-C 3.54Å; A98-T110 WeakPolarHBondContact O-CA 3.41Å; V107-T110 WeakPolarHBondContact CG1-OG1 2.82Å |
| 111 | F | 95.1 | Very high | 93.1 | Very high | 43 Ų | 43 | 62.4 Ų | 62.4 | 19% | 0.189 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.7 | 175.3 | 172.1 | -92.9 | 0 | 0 | 0 | 109.5 | V75 V77 F80 V96 H97 A98 H113 | V75-F111 HydrophobicContact CB-CZ 4.24Å; V75-F111 HydrophobicContact CG2-CE1 4.47Å; V77-F111 HydrophobicContact CG1-CD1 4.1Å; V77-F111 HydrophobicContact CG1-CE1 3.79Å; V77-F111 HydrophobicContact CG1-CZ 4.35Å; F80-F111 HydrophobicContact CD2-CB 4.36Å; F80-F111 HydrophobicContact CE1-CB 4.32Å; F80-F111 HydrophobicContact CE2-CB 3.42Å; F80-F111 VanDerWaalsContact CE2-CB 3.42Å; F80-F111 HydrophobicContact CE2-CG 4.16Å; F80-F111 HydrophobicContact CZ-CB 3.39Å; V96-F111 HydrophobicContact CB-CE1 4.38Å; V96-F111 HydrophobicContact CG1-CD1 4.39Å; V96-F111 HydrophobicContact CG1-CE1 3.99Å; H97-F111 CarbonylContact C-O 3.49Å; H97-F111 VanDerWaalsContact CA-O 3.31Å; H97-F111 WeakPolarHBondContact CA-O 3.27Å; A98-F111 HydrophobicContact CB-CB 4.28Å; A98-F111 PolarHBondContact N-O 2.79Å; A98-F111 PolarHBondContact O-N 2.97Å; F111-H113 HydrophobicContact CE1-CB 3.61Å; F111-H113 HydrophobicContact CE2-CB 4.41Å; F111-H113 HydrophobicContact CZ-CB 3.55Å; F111-H113 AromaticContact CZ-CG 3.94Å; F111-H113 AromaticContact CZ-ND1 3.6Å |
| 112 | T | 94.9 | Very high | 92.9 | Very high | 48 Ų | 48 | 60.5 Ų | 60.5 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 129.8 | 173.2 | -51.3 | 0 | 0 | 0 | 0 | 109.4 | E95 V96 K114 | E95-T112 HydrophobicContact CG-CG2 4.35Å; V96-T112 CarbonylContact O-C 3.52Å; V96-T112 WeakPolarHBondContact O-CA 3.39Å; T112-K114 HydrophobicContact CG2-CG 4.29Å |
| 113 | H | 93.1 | Very high | 92.5 | Very high | 20 Ų | 20 | 63 Ų | 63 | 9% | 0.093 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 125.1 | -179.4 | -151.8 | 115.5 | 0 | 0 | 0 | 110.5 | T60 G62 F73 V75 E95 V96 F111 | T60-H113 PolarHBondContact O-CE1 3.18Å; T60-H113 PolarHBondContact O-NE2 3.06Å; G62-H113 WeakPolarHBondContact CA-NE2 3.31Å; G62-H113 PolarHBondContact N-NE2 2.81Å; F73-H113 AromaticContact CE2-CD2 3.66Å; F73-H113 AromaticContact CE2-NE2 3.92Å; F73-H113 HydrophobicContact CZ-CB 4.46Å; F73-H113 AromaticContact CZ-CD2 3.37Å; F73-H113 WeakPolarHBondContact CZ-CD2 3.41Å; F73-H113 AromaticContact CZ-NE2 4Å; V75-H113 HydrophobicContact CG1-CB 4.32Å; E95-H113 CarbonylContact C-O 3.55Å; E95-H113 WeakPolarHBondContact CA-O 3.45Å; V96-H113 HydrophobicContact CB-CB 4.46Å; V96-H113 PolarHBondContact N-O 2.85Å; V96-H113 PolarHBondContact O-N 2.83Å; F111-H113 HydrophobicContact CE1-CB 3.61Å; F111-H113 HydrophobicContact CE2-CB 4.41Å; F111-H113 HydrophobicContact CZ-CB 3.55Å; F111-H113 AromaticContact CZ-CG 3.94Å; F111-H113 AromaticContact CZ-ND1 3.6Å |
| 114 | K | 92.9 | Very high | 92.2 | Very high | 90 Ų | 90 | 63.2 Ų | 63.2 | 39% | 0.391 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 143.8 | -176 | -49.9 | -165.4 | -169 | -152.7 | 0 | 110.9 | Q93 I94 E95 T112 | Q93-K114 HydrophobicContact CG-CB 4.49Å; I94-K114 CarbonylContact O-C 3.59Å; I94-K114 VanDerWaalsContact O-CA 3.27Å; I94-K114 WeakPolarHBondContact O-CA 3.42Å; E95-K114 HydrophobicContact CB-CD 4.4Å; E95-K114 HydrophobicContact CB-CG 4.16Å; E95-K114 HydrophobicContact CG-CD 4.23Å; E95-K114 HydrophobicContact CG-CG 4.03Å; E95-K114 WeakPolarHBondContact OE1-CE 3.38Å; E95-K114 IonicContact OE1-NZ 3.53Å; E95-K114 PolarHBondContact OE1-NZ 3.26Å; E95-K114 WeakPolarHBondContact OE2-CE 3.45Å; E95-K114 IonicContact OE2-NZ 2.77Å; E95-K114 PolarHBondContact OE2-NZ 2.93Å; T112-K114 HydrophobicContact CG2-CG 4.29Å |
| 115 | C | 91.3 | Very high | 92.1 | Very high | 7 Ų | 7 | 58.4 Ų | 58.4 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 140.2 | 168 | 70.3 | 0 | 0 | 0 | 0 | 111.3 | F73 Q93 I94 | F73-C115 HydrophobicContact CD2-CB 3.8Å; F73-C115 WeakPolarHBondContact CD2-SG 3.34Å; F73-C115 HydrophobicContact CE2-CB 3.66Å; F73-C115 HydrophobicContact CZ-CB 4.43Å; Q93-C115 WeakPolarHBondContact CA-O 3.34Å; Q93-C115 WeakPolarHBondContact CG-O 3.41Å; I94-C115 PolarHBondContact N-O 3.26Å; I94-C115 PolarHBondContact O-N 2.69Å |
| 116 | Q | 92 | Very high | 92.1 | Very high | 109 Ų | 109 | 58.1 Ų | 58.1 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 126.6 | 172.6 | -162.3 | 65 | 30.7 | 0 | 0 | 109.6 | N91 N92 | N91-Q116 PolarHBondContact O-NE2 2.99Å; N92-Q116 VanDerWaalsContact O-CD 3.27Å; N92-Q116 PolarHBondContact O-NE2 3.33Å |
| 117 | L | 90.4 | Very high | 92.1 | Very high | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 145 | 166.5 | -65.6 | 172.2 | 0 | 0 | 0 | 109.7 | I64 T89 N92 I94 V121 | I64-L117 HydrophobicContact CD1-CD2 3.45Å; I64-L117 VanDerWaalsContact CD1-CD2 3.45Å; T89-L117 HydrophobicContact CG2-CD1 3.96Å; N92-L117 HydrophobicContact CB-CB 4.37Å; N92-L117 WeakPolarHBondContact O-CA 3.41Å; N92-L117 WeakPolarHBondContact O-CB 3.43Å; N92-L117 PolarHBondContact O-N 2.84Å; I94-L117 HydrophobicContact CD1-CD1 4.04Å; I94-L117 HydrophobicContact CD1-CD2 3.5Å; I94-L117 VanDerWaalsContact CD1-CD2 3.5Å; I94-L117 HydrophobicContact CD1-CG 3.96Å; I94-L117 HydrophobicContact CG1-CD1 3.79Å; I94-L117 HydrophobicContact CG1-CD2 4.07Å; I94-L117 HydrophobicContact CG1-CG 3.94Å; L117-V121 HydrophobicContact CB-CB 4.48Å; L117-V121 HydrophobicContact CB-CG2 4.02Å; L117-V121 HydrophobicContact CD1-CG1 4.18Å; L117-V121 HydrophobicContact CD2-CG2 4.37Å |
| 118 | P | 90.6 | Very high | 92.1 | Very high | 41 Ų | 41 | 60 Ų | 60 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 165.5 | 167.6 | -30.7 | 43.3 | 0 | 0 | 0 | 113.6 | Y71 N92 D120 V121 | Y71-P118 HydrophobicContact CD1-CG 4.33Å; Y71-P118 HydrophobicContact CE1-CB 4.49Å; Y71-P118 HydrophobicContact CE1-CG 3.65Å; Y71-P118 HydrophobicContact CE2-CB 4.04Å; Y71-P118 HydrophobicContact CE2-CG 3.9Å; Y71-P118 VanDerWaalsContact CZ-CG 3.42Å; N92-P118 PolarHBondContact ND2-O 3.41Å; P118-D120 VanDerWaalsContact C-N 3.34Å; P118-D120 WeakPolarHBondContact CB-OD1 3.35Å; P118-V121 HydrophobicContact CB-CG2 4.45Å; P118-V121 WeakPolarHBondContact O-CG2 3.42Å |
| 119 | E | 88.1 | Confident | 92.1 | Very high | 166 Ų | 166 | 58.4 Ų | 58.4 | 78% | 0.776 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -28.5 | -180 | -64.3 | -170.6 | 162.3 | 0 | 0 | 112.7 | V121 K146 | E119-V121 PolarHBondContact O-N 3.41Å; E119-V121 VanDerWaalsContact O-N 3.09Å; E119-K146 WeakPolarHBondContact O-CD 3.23Å |
| 120 | D | 90.1 | Very high | 92.1 | Very high | 26 Ų | 26 | 58.9 Ų | 58.9 | 14% | 0.139 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 25 | 176.1 | 67.4 | -50.1 | 0 | 0 | 0 | 112.9 | Y71 P118 R142 N143 | Y71-D120 PolarHBondContact OH-OD1 2.87Å; Y71-D120 PolarHBondContact OH-OD2 3.38Å; Y71-D120 VanDerWaalsContact OH-OD2 3.11Å; P118-D120 VanDerWaalsContact C-N 3.34Å; P118-D120 WeakPolarHBondContact CB-OD1 3.35Å; D120-R142 CarbonylContact O-C 3.56Å; D120-R142 WeakPolarHBondContact O-CA 3.47Å; D120-R142 IonicContact OD2-CZ 3.35Å; D120-R142 IonicContact OD2-NE 2.87Å; D120-R142 PolarHBondContact OD2-NE 2.87Å; D120-R142 IonicContact OD2-NH2 2.91Å; D120-R142 PolarHBondContact OD2-NH2 3.16Å; D120-N143 VanDerWaalsContact CA-OD1 3.26Å; D120-N143 WeakPolarHBondContact CA-OD1 3.37Å; D120-N143 PolarHBondContact O-N 2.95Å; D120-N143 PolarHBondContact O-OD1 2.75Å |
| 121 | V | 91.4 | Very high | 92 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -89.7 | 137.5 | 171.6 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | Y71 L117 P118 E119 P123 A140 N143 K146 | Y71-V121 HydrophobicContact CD2-CG2 3.35Å; Y71-V121 HydrophobicContact CE2-CG2 3.37Å; Y71-V121 HydrophobicContact CG-CG2 4.47Å; L117-V121 HydrophobicContact CB-CB 4.48Å; L117-V121 HydrophobicContact CB-CG2 4.02Å; L117-V121 HydrophobicContact CD1-CG1 4.18Å; L117-V121 HydrophobicContact CD2-CG2 4.37Å; P118-V121 HydrophobicContact CB-CG2 4.45Å; P118-V121 WeakPolarHBondContact O-CG2 3.42Å; E119-V121 PolarHBondContact O-N 3.41Å; E119-V121 VanDerWaalsContact O-N 3.09Å; V121-P123 WeakPolarHBondContact O-CD 3.34Å; V121-A140 HydrophobicContact CG1-CB 3.71Å; V121-N143 PolarHBondContact N-OD1 2.77Å; V121-N143 PolarHBondContact O-ND2 2.77Å; V121-N143 PolarHBondContact O-OD1 2.92Å; V121-K146 PolarHBondContact O-NZ 2.95Å |
| 122 | D | 89.5 | Confident | 91.9 | Very high | 45 Ų | 45 | 62.3 Ų | 62.3 | 24% | 0.241 | 37% | 0.365 | C | S | . | . | trans | -84.1 | 109 | 165.7 | -179.2 | 4.1 | 0 | 0 | 0 | 110.5 | T124 S125 R141 N143 | D122-T124 VanDerWaalsContact CG-OG1 3.27Å; D122-T124 PolarHBondContact O-N 2.78Å; D122-T124 PolarHBondContact OD1-N 2.97Å; D122-T124 PolarHBondContact OD1-OG1 2.84Å; D122-T124 PolarHBondContact OD2-OG1 3.46Å; D122-S125 PolarHBondContact O-N 2.87Å; D122-S125 PolarHBondContact O-OG 2.8Å; D122-R141 PolarHBondContact N-O 3.17Å; D122-N143 WeakPolarHBondContact CA-ND2 3.41Å; D122-N143 HydrophobicContact CB-CB 4.13Å; D122-N143 PolarHBondContact N-ND2 2.76Å | ||
| 123 | P | 85.7 | Confident | 91.7 | Very high | 82 Ų | 82 | 67.1 Ų | 67.1 | 53% | 0.532 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -65.5 | -21.5 | -178.5 | 29.1 | -36 | 0 | 0 | 0 | 113.1 | V121 S125 V126 | V121-P123 WeakPolarHBondContact O-CD 3.34Å; P123-S125 VanDerWaalsContact C-N 3.28Å; P123-V126 WeakPolarHBondContact O-CG2 3.41Å |
| 124 | T | 88.2 | Confident | 91.6 | Very high | 124 Ų | 124 | 66.6 Ų | 66.6 | 76% | 0.761 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -80 | -14.9 | -179.8 | 68.5 | 0 | 0 | 0 | 0 | 113 | D122 | D122-T124 VanDerWaalsContact CG-OG1 3.27Å; D122-T124 PolarHBondContact O-N 2.78Å; D122-T124 PolarHBondContact OD1-N 2.97Å; D122-T124 PolarHBondContact OD1-OG1 2.84Å; D122-T124 PolarHBondContact OD2-OG1 3.46Å |
| 125 | S | 91.9 | Very high | 91.7 | Very high | 23 Ų | 23 | 65 Ų | 65 | 16% | 0.161 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -94.7 | 2.5 | -175.8 | 74 | 0 | 0 | 0 | 0 | 114.3 | D122 P123 T127 R141 | D122-S125 PolarHBondContact O-N 2.87Å; D122-S125 PolarHBondContact O-OG 2.8Å; P123-S125 VanDerWaalsContact C-N 3.28Å; S125-T127 PolarHBondContact O-N 2.91Å; S125-R141 WeakPolarHBondContact OG-CA 3.27Å; S125-R141 VanDerWaalsContact OG-CB 3.31Å; S125-R141 WeakPolarHBondContact OG-CB 3.44Å; S125-R141 PolarHBondContact OG-N 2.82Å |
| 126 | V | 93.6 | Very high | 91.9 | Very high | 40 Ų | 40 | 65 Ų | 65 | 24% | 0.242 | 38% | 0.381 | C | S | . | . | trans | -69.3 | 126.3 | -176.7 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | T89 P123 V138 K139 A140 | T89-V126 HydrophobicContact CG2-CG2 4.33Å; P123-V126 WeakPolarHBondContact O-CG2 3.41Å; V126-V138 HydrophobicContact CG1-CG1 3.95Å; V126-K139 CarbonylContact C-O 3.59Å; V126-K139 WeakPolarHBondContact CA-O 3.48Å; V126-A140 HydrophobicContact CG2-CB 3.95Å | ||
| 127 | T | 94.9 | Very high | 92.1 | Very high | 86 Ų | 86 | 60.7 Ų | 60.7 | 53% | 0.528 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 150.4 | 179 | 52.8 | 0 | 0 | 0 | 0 | 109.6 | S125 V138 K139 | S125-T127 PolarHBondContact O-N 2.91Å; T127-V138 CarbonylContact O-C 3.43Å; T127-V138 WeakPolarHBondContact O-CA 3.44Å; T127-K139 PolarHBondContact N-O 3.17Å; T127-K139 PolarHBondContact O-N 2.79Å; T127-K139 PolarHBondContact OG1-O 3.17Å |
| 128 | S | 94.9 | Very high | 92.3 | Very high | 77 Ų | 77 | 60.4 Ų | 60.4 | 54% | 0.538 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 150.7 | 177.1 | 59.1 | 0 | 0 | 0 | 0 | 111.2 | T137 | S128-T137 CarbonylContact C-O 3.6Å; S128-T137 VanDerWaalsContact CA-O 3.29Å; S128-T137 WeakPolarHBondContact CA-O 3.35Å |
| 129 | S | 95.4 | Very high | 92.5 | Very high | 67 Ų | 67 | 62.9 Ų | 62.9 | 47% | 0.469 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 129.2 | 175.7 | 61.4 | 0 | 0 | 0 | 0 | 109.7 | T137 | S129-T137 PolarHBondContact N-O 2.93Å; S129-T137 PolarHBondContact O-N 2.82Å |
| 130 | L | 94.8 | Very high | 92.8 | Very high | 67 Ų | 67 | 55.1 Ų | 55.1 | 35% | 0.351 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.6 | 174.9 | -178.4 | 61.9 | 0 | 0 | 0 | 109.7 | V77 P82 L136 | V77-L130 HydrophobicContact CG2-CD1 3.56Å; P82-L130 HydrophobicContact CB-CD2 3.69Å; P82-L130 HydrophobicContact CG-CD2 3.76Å; L130-L136 HydrophobicContact CB-CD1 4.28Å; L130-L136 HydrophobicContact CD1-CB 3.95Å |
| 131 | G | 93.8 | Very high | 93 | Very high | 38 Ų | 38 | 60 Ų | 60 | 39% | 0.392 | 35% | 0.348 | S | S | . | . | trans | -78.7 | 162.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E133 G134 T135 | G131-E133 PolarHBondContact O-N 3.44Å; G131-G134 PolarHBondContact O-N 3.05Å; G131-G134 VanDerWaalsContact O-N 3.09Å; G131-T135 PolarHBondContact N-O 3.29Å | ||
| 132 | T | 91.9 | Very high | 93 | Very high | 142 Ų | 142 | 64.3 Ų | 64.3 | 87% | 0.871 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -29.4 | 177.5 | 51.4 | 0 | 0 | 0 | 0 | 113.3 | G134 | T132-G134 PolarHBondContact O-N 3.14Š|
| 133 | E | 90.9 | Very high | 92.8 | Very high | 148 Ų | 148 | 63.1 Ų | 63.1 | 69% | 0.692 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 15.6 | 177.6 | -52.6 | -57.2 | 107.8 | 0 | 0 | 112.9 | G131 T135 | G131-E133 PolarHBondContact O-N 3.44Å; E133-T135 PolarHBondContact O-N 3.06Å |
| 134 | G | 91.3 | Very high | 92 | Very high | 10 Ų | 10 | 64.2 Ų | 64.2 | 10% | 0.103 | 37% | 0.365 | C | S | . | . | S | Bend | trans | 74.9 | 9.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V77 G131 T132 L136 | V77-G134 WeakPolarHBondContact CG2-O 3.3Å; V77-G134 PolarHBondContact N-O 2.84Å; G131-G134 PolarHBondContact O-N 3.05Å; G131-G134 VanDerWaalsContact O-N 3.09Å; T132-G134 PolarHBondContact O-N 3.14Å; G134-L136 PolarHBondContact O-N 2.85Å |
| 135 | T | 94.8 | Very high | 90.9 | Very high | 56 Ų | 56 | 62.6 Ų | 62.6 | 34% | 0.344 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 107.9 | 176.1 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | T74 G131 E133 | T74-T135 HydrophobicContact CG2-CG2 3.35Å; G131-T135 PolarHBondContact N-O 3.29Å; E133-T135 PolarHBondContact O-N 3.06Å |
| 136 | L | 95.6 | Very high | 89.1 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 4% | 0.037 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 129.1 | 172.3 | 177.9 | 67.2 | 0 | 0 | 0 | 110 | T74 V75 V77 V85 V87 V96 L130 G134 V138 | T74-L136 CarbonylContact C-O 3.58Å; T74-L136 VanDerWaalsContact CA-O 3.3Å; T74-L136 WeakPolarHBondContact CA-O 3.31Å; V75-L136 HydrophobicContact CG2-CB 3.87Å; V75-L136 HydrophobicContact CG2-CD2 3.95Å; V75-L136 HydrophobicContact CG2-CG 4.29Å; V75-L136 PolarHBondContact N-O 2.88Å; V75-L136 PolarHBondContact O-N 2.9Å; V77-L136 HydrophobicContact CG2-CB 3.99Å; V85-L136 HydrophobicContact CG1-CD2 4.06Å; V87-L136 HydrophobicContact CG2-CD2 3.74Å; V96-L136 HydrophobicContact CB-CD2 4.41Å; V96-L136 HydrophobicContact CG1-CD2 3.68Å; V96-L136 HydrophobicContact CG2-CD2 3.78Å; L130-L136 HydrophobicContact CB-CD1 4.28Å; L130-L136 HydrophobicContact CD1-CB 3.95Å; G134-L136 PolarHBondContact O-N 2.85Å; L136-V138 HydrophobicContact CD2-CG2 4.46Å; L136-V138 HydrophobicContact CG-CG2 4.39Å |
| 137 | T | 95.3 | Very high | 87.1 | Confident | 19 Ų | 19 | 69.7 Ų | 69.7 | 12% | 0.117 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.4 | 173.4 | -61.5 | 0 | 0 | 0 | 0 | 110.2 | Q72 F73 S128 S129 K139 | Q72-T137 HydrophobicContact CG-CG2 3.64Å; F73-T137 CarbonylContact O-C 3.58Å; F73-T137 WeakPolarHBondContact O-CA 3.21Å; S128-T137 CarbonylContact C-O 3.6Å; S128-T137 VanDerWaalsContact CA-O 3.29Å; S128-T137 WeakPolarHBondContact CA-O 3.35Å; S129-T137 PolarHBondContact N-O 2.93Å; S129-T137 PolarHBondContact O-N 2.82Å; T137-K139 HydrophobicContact CG2-CG 4.09Å |
| 138 | V | 95.6 | Very high | 85.1 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.006 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.2 | 172.7 | -172.1 | 0 | 0 | 0 | 0 | 108.4 | Q72 F73 V87 I94 V126 T127 L136 | Q72-V138 CarbonylContact C-O 3.42Å; Q72-V138 WeakPolarHBondContact CA-O 3.22Å; F73-V138 HydrophobicContact CB-CB 4.4Å; F73-V138 HydrophobicContact CD1-CB 4.22Å; F73-V138 HydrophobicContact CD1-CG2 4.11Å; F73-V138 PolarHBondContact N-O 2.8Å; F73-V138 PolarHBondContact O-N 3.17Å; V87-V138 HydrophobicContact CG1-CG2 4.02Å; I94-V138 HydrophobicContact CD1-CB 4.3Å; I94-V138 HydrophobicContact CD1-CG1 3.68Å; I94-V138 HydrophobicContact CG1-CG1 4.47Å; I94-V138 HydrophobicContact CG2-CG1 4.48Å; I94-V138 HydrophobicContact CG2-CG2 4.47Å; V126-V138 HydrophobicContact CG1-CG1 3.95Å; T127-V138 CarbonylContact O-C 3.43Å; T127-V138 WeakPolarHBondContact O-CA 3.44Å; L136-V138 HydrophobicContact CD2-CG2 4.46Å; L136-V138 HydrophobicContact CG-CG2 4.39Å |
| 139 | K | 94.9 | Very high | 83.1 | Confident | 94 Ų | 94 | 77.4 Ų | 77.4 | 41% | 0.409 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 143.5 | 179.7 | -67.8 | 179.4 | -178.9 | 174.4 | 0 | 110.6 | Y71 Q72 V126 T127 T137 | Y71-K139 CarbonylContact O-C 3.59Å; Y71-K139 VanDerWaalsContact O-CA 3.27Å; Y71-K139 WeakPolarHBondContact O-CA 3.33Å; Q72-K139 HydrophobicContact CB-CG 4.42Å; Q72-K139 HydrophobicContact CG-CG 4.17Å; V126-K139 CarbonylContact C-O 3.59Å; V126-K139 WeakPolarHBondContact CA-O 3.48Å; T127-K139 PolarHBondContact N-O 3.17Å; T127-K139 PolarHBondContact O-N 2.79Å; T127-K139 PolarHBondContact OG1-O 3.17Å; T137-K139 HydrophobicContact CG2-CG 4.09Å |
| 140 | A | 94.7 | Very high | 81.1 | Confident | 3 Ų | 3 | 79.6 Ų | 79.6 | 3% | 0.025 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 141.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | S70 Y71 V121 V126 | S70-A140 CarbonylContact C-O 3.52Å; S70-A140 WeakPolarHBondContact CA-O 3.24Å; S70-A140 VanDerWaalsContact CB-O 3.3Å; S70-A140 WeakPolarHBondContact CB-O 3.29Å; Y71-A140 PolarHBondContact N-O 2.82Å; Y71-A140 PolarHBondContact O-N 2.8Å; V121-A140 HydrophobicContact CG1-CB 3.71Å; V126-A140 HydrophobicContact CG2-CB 3.95Å |
| 141 | R | 94.6 | Very high | 79.2 | Confident | 127 Ų | 127 | 81.9 Ų | 81.9 | 48% | 0.479 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 151 | 175.8 | -60.6 | -83.7 | -67.3 | 174.9 | 12.7 | 110.6 | D69 D122 S125 | D69-R141 IonicContact OD1-NH1 3.68Å; D69-R141 IonicContact OD2-CZ 3.03Å; D69-R141 IonicContact OD2-NH1 2.62Å; D69-R141 PolarHBondContact OD2-NH1 3.01Å; D69-R141 IonicContact OD2-NH2 2.88Å; D69-R141 PolarHBondContact OD2-NH2 2.67Å; D122-R141 PolarHBondContact N-O 3.17Å; S125-R141 WeakPolarHBondContact OG-CA 3.27Å; S125-R141 VanDerWaalsContact OG-CB 3.31Å; S125-R141 WeakPolarHBondContact OG-CB 3.44Å; S125-R141 PolarHBondContact OG-N 2.82Å |
| 142 | R | 91.7 | Very high | 77.8 | Confident | 94 Ų | 94 | 86.7 Ų | 86.7 | 36% | 0.355 | 45% | 0.453 | S | S | . | . | B | Isolated β-bridge | trans | -84.2 | 133.9 | 170.3 | -62.3 | 179.2 | 67.2 | -158.3 | -2.3 | 109.6 | G68 D69 Y71 D120 P144 | G68-R142 WeakPolarHBondContact O-CD 3.3Å; G68-R142 PolarHBondContact O-NH1 2.74Å; D69-R142 WeakPolarHBondContact O-CB 3.42Å; D69-R142 WeakPolarHBondContact O-CG 3.37Å; D69-R142 PolarHBondContact O-N 2.89Å; Y71-R142 HydrophobicContact CD2-CG 3.83Å; Y71-R142 HydrophobicContact CE2-CG 3.39Å; Y71-R142 PolarHBondContact OH-NE 3.23Å; D120-R142 CarbonylContact O-C 3.56Å; D120-R142 WeakPolarHBondContact O-CA 3.47Å; D120-R142 IonicContact OD2-CZ 3.35Å; D120-R142 IonicContact OD2-NE 2.87Å; D120-R142 PolarHBondContact OD2-NE 2.87Å; D120-R142 IonicContact OD2-NH2 2.91Å; D120-R142 PolarHBondContact OD2-NH2 3.16Å; R142-P144 WeakPolarHBondContact O-CD 3.33Å |
| 143 | N | 85.2 | Confident | 77.3 | Confident | 20 Ų | 20 | 88.2 Ų | 88.2 | 11% | 0.107 | 45% | 0.448 | C | S | . | . | trans | -105.5 | 91.1 | 167.9 | 57.1 | 14.7 | 0 | 0 | 0 | 110.5 | D120 V121 D122 S145 K146 | D120-N143 VanDerWaalsContact CA-OD1 3.26Å; D120-N143 WeakPolarHBondContact CA-OD1 3.37Å; D120-N143 PolarHBondContact O-N 2.95Å; D120-N143 PolarHBondContact O-OD1 2.75Å; V121-N143 PolarHBondContact N-OD1 2.77Å; V121-N143 PolarHBondContact O-ND2 2.77Å; V121-N143 PolarHBondContact O-OD1 2.92Å; D122-N143 WeakPolarHBondContact CA-ND2 3.41Å; D122-N143 HydrophobicContact CB-CB 4.13Å; D122-N143 PolarHBondContact N-ND2 2.76Å; N143-S145 PolarHBondContact O-N 2.8Å; N143-K146 WeakPolarHBondContact ND2-CD 3.22Å; N143-K146 WeakPolarHBondContact ND2-CE 3.46Å; N143-K146 PolarHBondContact O-N 3.31Å; N143-K146 VanDerWaalsContact O-N 3.08Å | ||
| 144 | P | 68.3 | Low | 76.8 | Confident | 105 Ų | 105 | 90.6 Ų | 90.6 | 68% | 0.682 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -58.4 | -22.5 | 178.8 | 24.3 | -33.7 | 0 | 0 | 0 | 113.1 | R142 K146 H147 | R142-P144 WeakPolarHBondContact O-CD 3.33Å; P144-K146 VanDerWaalsContact C-N 3.33Å; P144-K146 PolarHBondContact O-N 3.1Å; P144-H147 WeakPolarHBondContact O-CB 3.25Å; P144-H147 PolarHBondContact O-N 2.96Å |
| 145 | S | 63.9 | Low | 76.5 | Confident | 90 Ų | 90 | 96 Ų | 96 | 63% | 0.629 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -71 | -13.9 | 178 | 32.2 | 0 | 0 | 0 | 0 | 115.4 | N143 H147 | N143-S145 PolarHBondContact O-N 2.8Å; S145-H147 VanDerWaalsContact C-N 3.28Å |
| 146 | K | 55.7 | Low | 75.8 | Confident | 106 Ų | 106 | 100.4 Ų | 100.4 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -74.7 | -18.5 | 169.9 | -90.5 | -169.6 | -178 | 172.9 | 0 | 113.3 | E119 V121 N143 P144 E148 | E119-K146 WeakPolarHBondContact O-CD 3.23Å; V121-K146 PolarHBondContact O-NZ 2.95Å; N143-K146 WeakPolarHBondContact ND2-CD 3.22Å; N143-K146 WeakPolarHBondContact ND2-CE 3.46Å; N143-K146 PolarHBondContact O-N 3.31Å; N143-K146 VanDerWaalsContact O-N 3.08Å; P144-K146 VanDerWaalsContact C-N 3.33Å; P144-K146 PolarHBondContact O-N 3.1Å; K146-E148 VanDerWaalsContact C-N 3.27Å; K146-E148 PolarHBondContact O-N 2.79Å |
| 147 | H | 51.5 | Low | 74.8 | Confident | 106 Ų | 106 | 107.6 Ų | 107.6 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -81 | -3.9 | -178.4 | -155.4 | -85.2 | 0 | 0 | 0 | 113.3 | P144 S145 L149 | P144-H147 WeakPolarHBondContact O-CB 3.25Å; P144-H147 PolarHBondContact O-N 2.96Å; S145-H147 VanDerWaalsContact C-N 3.28Å; H147-L149 VanDerWaalsContact C-N 3.33Å; H147-L149 PolarHBondContact O-N 3.23Å |
| 148 | E | 52.2 | Low | 73.1 | Confident | 161 Ų | 161 | 116.2 Ų | 116.2 | 75% | 0.752 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -77.9 | -6.7 | -175 | -88.9 | -154.9 | 101.4 | 0 | 0 | 115.5 | K146 | K146-E148 VanDerWaalsContact C-N 3.27Å; K146-E148 PolarHBondContact O-N 2.79Å |
| 149 | L | 53.9 | Low | 72.1 | Confident | 164 Ų | 164 | 127 Ų | 127 | 86% | 0.859 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -89.8 | -3.7 | -175.7 | -68 | 175.8 | 0 | 0 | 0 | 115.5 | H147 | H147-L149 VanDerWaalsContact C-N 3.33Å; H147-L149 PolarHBondContact O-N 3.23Å |
| 150 | T | 51.7 | Low | 71 | Confident | 113 Ų | 113 | 128.7 Ų | 128.7 | 69% | 0.693 | 64% | 0.637 | S | S | * | * | trans | -144.9 | 21.9 | -175.5 | 53.6 | 0 | 0 | 0 | 0 | 115.1 | T152 | T150-T152 PolarHBondContact O-N 2.95Š| ||
| 151 | Q | 55 | Low | 69.7 | Low | 115 Ų | 115 | 135.3 Ų | 135.3 | 54% | 0.537 | 67% | 0.669 | S | S | . | * | trans | -80.4 | 91.5 | 172.5 | -160.7 | 106.3 | 47.3 | 0 | 0 | 110.1 | F153 | Q151-F153 HydrophobicContact CB-CD2 4.5Å; Q151-F153 HydrophobicContact CB-CE2 3.89Å; Q151-F153 HydrophobicContact CB-CZ 4.13Å; Q151-F153 HydrophobicContact CG-CD1 4.48Å; Q151-F153 HydrophobicContact CG-CD2 4.32Å; Q151-F153 HydrophobicContact CG-CE1 3.94Å; Q151-F153 HydrophobicContact CG-CE2 3.76Å; Q151-F153 HydrophobicContact CG-CZ 3.57Å; Q151-F153 WeakPolarHBondContact O-CD2 3.33Å; Q151-F153 PolarHBondContact O-N 3.46Å; Q151-F153 VanDerWaalsContact O-N 3.14Å | ||
| 152 | T | 64.6 | Low | 68.3 | Low | 140 Ų | 140 | 135.8 Ų | 135.8 | 86% | 0.859 | 68% | 0.68 | S | S | * | * | trans | -73.7 | 102.4 | 173.7 | -30.5 | 0 | 0 | 0 | 0 | 109.3 | T150 R154 | T150-T152 PolarHBondContact O-N 2.95Å; T152-R154 PolarHBondContact O-N 2.8Å | ||
| 153 | F | 82.9 | Confident | 67 | Low | 174 Ų | 174 | 138.2 Ų | 138.2 | 76% | 0.763 | 70% | 0.699 | S | S | * | * | trans | -80 | 118.6 | 174 | -63.9 | -85.1 | 0 | 0 | 0 | 109.8 | Q151 | Q151-F153 HydrophobicContact CB-CD2 4.5Å; Q151-F153 HydrophobicContact CB-CE2 3.89Å; Q151-F153 HydrophobicContact CB-CZ 4.13Å; Q151-F153 HydrophobicContact CG-CD1 4.48Å; Q151-F153 HydrophobicContact CG-CD2 4.32Å; Q151-F153 HydrophobicContact CG-CE1 3.94Å; Q151-F153 HydrophobicContact CG-CE2 3.76Å; Q151-F153 HydrophobicContact CG-CZ 3.57Å; Q151-F153 WeakPolarHBondContact O-CD2 3.33Å; Q151-F153 PolarHBondContact O-N 3.46Å; Q151-F153 VanDerWaalsContact O-N 3.14Å | ||
| 154 | R | 80.4 | Confident | 65.8 | Low | 197 Ų | 197 | 145.6 Ų | 145.6 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | trans | -98.6 | 112.7 | 169.7 | -175 | 176.7 | -175.2 | -115.5 | -6.9 | 108.8 | T152 E156 | T152-R154 PolarHBondContact O-N 2.8Å; R154-E156 VanDerWaalsContact CZ-CD 3.42Å; R154-E156 IonicContact CZ-OE1 3.84Å; R154-E156 IonicContact CZ-OE2 2.67Å; R154-E156 IonicContact NH1-OE1 3.1Å; R154-E156 PolarHBondContact NH1-OE1 2.94Å; R154-E156 IonicContact NH1-OE2 3.31Å; R154-E156 PolarHBondContact NH1-OE2 2.77Å; R154-E156 VanDerWaalsContact NH1-OE2 3.1Å; R154-E156 IonicContact NH2-OE1 3.09Å; R154-E156 PolarHBondContact NH2-OE1 3.09Å | ||
| 155 | T | 84.7 | Confident | 65.7 | Low | 125 Ų | 125 | 148.3 Ų | 148.3 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | trans | -95.3 | 125 | 170.3 | 31.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 156 | E | 78.8 | Confident | 65.8 | Low | 147 Ų | 147 | 152.5 Ų | 152.5 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | trans | -111.4 | 122.8 | 167.5 | -66.7 | -179 | 118.1 | 0 | 0 | 108.1 | R154 | R154-E156 VanDerWaalsContact CZ-CD 3.42Å; R154-E156 IonicContact CZ-OE1 3.84Å; R154-E156 IonicContact CZ-OE2 2.67Å; R154-E156 IonicContact NH1-OE1 3.1Å; R154-E156 PolarHBondContact NH1-OE1 2.94Å; R154-E156 IonicContact NH1-OE2 3.31Å; R154-E156 PolarHBondContact NH1-OE2 2.77Å; R154-E156 VanDerWaalsContact NH1-OE2 3.1Å; R154-E156 IonicContact NH2-OE1 3.09Å; R154-E156 PolarHBondContact NH2-OE1 3.09Å | ||
| 157 | I | 75.8 | Confident | 66.6 | Low | 158 Ų | 158 | 156.1 Ų | 156.1 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -117.3 | 124.6 | 176.4 | -57.5 | 174.9 | 0 | 0 | 0 | 107 | ||||
| 158 | K | 59.8 | Low | 67.8 | Low | 200 Ų | 200 | 160.3 Ų | 160.3 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -114.2 | 128.3 | 175.8 | -176.9 | 175.5 | 169.4 | -177 | 0 | 109 | ||||
| 159 | I | 74.2 | Confident | 69.2 | Low | 229 Ų | 229 | 160.2 Ų | 160.2 | 100% | 1.174 | 80% | 0.797 | S | S | * | * | trans | -79 | 0 | 172.9 | 58 | 169.4 | 0 | 0 | 0 | 111.7 |
Retrieved 159 of 159 residues in 151.7 ms
(Link to these results)