| 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 | 50.9 | Low | 49.7 | Very low | 238 Ų | 238 | 123 Ų | 123 | 100% | 1.172 | 65% | 0.645 | S | S | * | * | 0 | 26.1 | 0 | -67 | -148 | -78.7 | 0 | 0 | 112.9 | |||||
| 2 | S | 55 | Low | 49.4 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 53% | 0.531 | 65% | 0.653 | S | S | . | * | trans | -102.5 | -3.8 | -169.4 | 49.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 3 | D | 52.9 | Low | 49.1 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 62% | 0.615 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -95.3 | -22.2 | -173.3 | -72.2 | -49.1 | 0 | 0 | 0 | 114.3 | A5 E7 | D3-A5 VanDerWaalsContact C-N 3.34Å; D3-A5 PolarHBondContact O-N 2.84Å; D3-E7 PolarHBondContact O-N 3.22Å |
| 4 | L | 46.8 | Very low | 48.7 | Very low | 123 Ų | 123 | 131 Ų | 131 | 64% | 0.644 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -73.5 | -25.8 | 178.5 | -164.3 | 68.1 | 0 | 0 | 0 | 113 | K8 | L4-K8 PolarHBondContact O-N 2.8Å |
| 5 | A | 49.5 | Very low | 48.4 | Very low | 72 Ų | 72 | 134.6 Ų | 134.6 | 60% | 0.595 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -76.2 | -34.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D3 E7 A9 | D3-A5 VanDerWaalsContact C-N 3.34Å; D3-A5 PolarHBondContact O-N 2.84Å; A5-E7 VanDerWaalsContact C-N 3.35Å; A5-A9 PolarHBondContact O-N 2.8Å |
| 6 | K | 51.7 | Low | 48 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 65% | 0.648 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -69.9 | -33.3 | 177.9 | -69 | 179.9 | 180 | 174.7 | 0 | 111.9 | A10 | K6-A10 PolarHBondContact O-N 3.02Å |
| 7 | E | 47.2 | Very low | 47 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 55% | 0.547 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -74.3 | -33.7 | 179.4 | -160.6 | 179.4 | 167.7 | 0 | 0 | 113.2 | D3 A5 A10 R11 | D3-E7 PolarHBondContact O-N 3.22Å; A5-E7 VanDerWaalsContact C-N 3.35Å; E7-A10 PolarHBondContact O-N 2.79Å; E7-R11 PolarHBondContact O-N 2.96Å |
| 8 | K | 51.8 | Low | 46.5 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 66% | 0.661 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -68.9 | -33.2 | 175.2 | -79.6 | -173.5 | 174.7 | -179.3 | 0 | 113 | L4 | L4-K8 PolarHBondContact O-N 2.8Å |
| 9 | A | 47.8 | Very low | 46 | Very low | 54 Ų | 54 | 136.1 Ų | 136.1 | 45% | 0.446 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -69.5 | -38.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A5 R11 L12 | A5-A9 PolarHBondContact O-N 2.8Å; A9-R11 VanDerWaalsContact C-N 3.32Å; A9-R11 PolarHBondContact O-N 2.98Å; A9-L12 PolarHBondContact O-N 3.38Å |
| 10 | A | 47.6 | Very low | 45.5 | Very low | 60 Ų | 60 | 135.2 Ų | 135.2 | 50% | 0.496 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -67.4 | -28.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K6 E7 | K6-A10 PolarHBondContact O-N 3.02Å; E7-A10 PolarHBondContact O-N 2.79Å |
| 11 | R | 46.2 | Very low | 45.1 | Very low | 197 Ų | 197 | 134.1 Ų | 134.1 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -78.3 | -25.2 | 178.4 | -87.6 | -175.8 | 168.6 | 173.4 | -1 | 114.3 | E7 A9 | E7-R11 PolarHBondContact O-N 2.96Å; A9-R11 VanDerWaalsContact C-N 3.32Å; A9-R11 PolarHBondContact O-N 2.98Å |
| 12 | L | 45.5 | Very low | 44.3 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -80.8 | -26.3 | 177.1 | -79.2 | 161.8 | 0 | 0 | 0 | 112.7 | A9 K14 K15 | A9-L12 PolarHBondContact O-N 3.38Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 2.94Å; L12-K15 PolarHBondContact O-N 3.35Å |
| 13 | L | 45.5 | Very low | 43.2 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -76.2 | -15.3 | 175.6 | -80.5 | 155.1 | 0 | 0 | 0 | 113.8 | K15 | L13-K15 VanDerWaalsContact C-N 3.29Å; L13-K15 PolarHBondContact O-N 3.07Å |
| 14 | K | 43.4 | Very low | 42.2 | Very low | 194 Ų | 194 | 131.4 Ų | 131.4 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -78 | -6.9 | 170.7 | -84.9 | -173.2 | 174.1 | -177.2 | 0 | 114.1 | L12 | L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 2.94Å |
| 15 | K | 44.9 | Very low | 41.6 | Very low | 185 Ų | 185 | 134.1 Ų | 134.1 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -105 | 4.5 | -174.4 | -152 | 172.4 | 178.5 | 179.7 | 0 | 115.8 | L12 L13 | L12-K15 PolarHBondContact O-N 3.35Å; L13-K15 VanDerWaalsContact C-N 3.29Å; L13-K15 PolarHBondContact O-N 3.07Å |
| 16 | R | 42.2 | Very low | 40.7 | Very low | 228 Ų | 228 | 138 Ų | 138 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -138.6 | 80.8 | 170.1 | -84.5 | -176.3 | 158.3 | 165.8 | -7.5 | 110.4 | S18 | R16-S18 PolarHBondContact O-N 3.25Š| ||
| 17 | G | 30.6 | Very low | 39.7 | Very low | 75 Ų | 75 | 136.5 Ų | 136.5 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -66.1 | 115 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | V19 | G17-V19 PolarHBondContact O-N 2.86Š| ||
| 18 | S | 37.9 | Very low | 38.9 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -69.3 | 119.3 | 163.9 | -65.2 | 0 | 0 | 0 | 0 | 108.4 | R16 | R16-S18 PolarHBondContact O-N 3.25Š| ||
| 19 | V | 36.8 | Very low | 37.9 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -96.2 | 108.4 | 161.2 | -76.9 | 0 | 0 | 0 | 0 | 107.7 | G17 | G17-V19 PolarHBondContact O-N 2.86Š| ||
| 20 | S | 36.2 | Very low | 37.3 | Very low | 119 Ų | 119 | 146 Ų | 146 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -81.1 | 130.4 | 156.7 | 52 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 21 | S | 37.1 | Very low | 36.6 | Very low | 112 Ų | 112 | 152.8 Ų | 152.8 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | trans | -143.4 | 111.4 | 156.1 | 55.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 22 | L | 34.7 | Very low | 36 | Very low | 177 Ų | 177 | 149.7 Ų | 149.7 | 93% | 0.927 | 82% | 0.824 | S | S | * | * | trans | -66.9 | 145.8 | 146.4 | -82.9 | 152.4 | 0 | 0 | 0 | 107.9 | ||||
| 23 | G | 31.6 | Very low | 35.4 | Very low | 69 Ų | 69 | 146.9 Ų | 146.9 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | trans | -68 | 165 | -156.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 24 | S | 32.2 | Very low | 34.7 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 89% | 0.888 | 83% | 0.833 | S | S | * | * | trans | -169.9 | 145 | 133.7 | -78.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 25 | H | 34.1 | Very low | 34.4 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 83% | 0.833 | 83% | 0.834 | S | S | * | * | trans | -64.2 | 128 | -176 | -139.6 | -103 | 0 | 0 | 0 | 110.9 | ||||
| 26 | D | 29.3 | Very low | 33.9 | Very low | 153 Ų | 153 | 143.1 Ų | 143.1 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -168.2 | 159.1 | 143.2 | -113.3 | -40.1 | 0 | 0 | 0 | 113.6 | ||||
| 27 | V | 31 | Very low | 34.1 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 72% | 0.715 | 84% | 0.835 | S | S | * | * | trans | -91.2 | 152.6 | -147.7 | -77.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 28 | R | 29.9 | Very low | 34.4 | Very low | 248 Ų | 248 | 145 Ų | 145 | 94% | 0.936 | 84% | 0.835 | S | S | * | * | trans | 78.8 | 119.2 | 141.5 | -163.9 | 174.1 | -172.4 | -178.6 | 2.7 | 120.7 | ||||
| 29 | A | 31 | Very low | 34.7 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 87% | 0.868 | 84% | 0.837 | S | S | * | * | -173.2 | 146.8 | 121.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 30 | K | 36.4 | Very low | 34.7 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 74% | 0.739 | 83% | 0.833 | S | S | * | * | trans | -107.3 | 128.7 | -163.8 | -177.7 | -178.6 | -173.3 | 169.2 | 0 | 108.9 | ||||
| 31 | E | 31.5 | Very low | 35.1 | Very low | 202 Ų | 202 | 145.3 Ų | 145.3 | 94% | 0.944 | 83% | 0.831 | S | S | * | * | trans | -142.8 | 145.8 | 158.5 | -77.6 | -160.1 | 143.2 | 0 | 0 | 112 | ||||
| 32 | T | 35 | Very low | 36.1 | Very low | 132 Ų | 132 | 146 Ų | 146 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | trans | -103.2 | 142.6 | -154.9 | 44.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 33 | G | 31 | Very low | 36.5 | Very low | 81 Ų | 81 | 142.4 Ų | 142.4 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | 179.2 | 104.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 34 | G | 32 | Very low | 37.5 | Very low | 83 Ų | 83 | 144.2 Ų | 144.2 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | 77.4 | 104.9 | 138.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 35 | K | 36 | Very low | 37.9 | Very low | 202 Ų | 202 | 148.2 Ų | 148.2 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | trans | -39.3 | 150.9 | 166.2 | -60.1 | 169.3 | 179.1 | 178.4 | 0 | 114.9 | ||||
| 36 | I | 34.5 | Very low | 38.8 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | -144.1 | 128.7 | 77.9 | -71.9 | 150 | 0 | 0 | 0 | 110.8 | |||||
| 37 | K | 46.3 | Very low | 39.8 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | trans | -108 | 140.5 | 164.4 | -73.4 | -179.5 | 175.5 | -177.3 | 0 | 107 | ||||
| 38 | D | 37.4 | Very low | 40.5 | Very low | 146 Ų | 146 | 150.1 Ų | 150.1 | 78% | 0.781 | 82% | 0.819 | S | S | * | * | trans | -142.9 | 106.3 | 147.2 | -82.1 | -39 | 0 | 0 | 0 | 109.7 | ||||
| 39 | S | 43.8 | Very low | 41.5 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -172.6 | 96 | 150.9 | -79 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 40 | I | 38.2 | Very low | 42.2 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -86.6 | 122.2 | 176.6 | -73.6 | 168.9 | 0 | 0 | 0 | 108.1 | ||||
| 41 | S | 44.9 | Very low | 43 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -109 | 108 | 157.2 | 59.1 | 0 | 0 | 0 | 0 | 108.1 | V43 | S41-V43 PolarHBondContact O-N 2.95Š| ||
| 42 | T | 56.7 | Low | 44.2 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 77% | 0.767 | 80% | 0.802 | S | S | * | * | trans | -68.4 | 119 | 178.1 | -59 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 43 | V | 44.1 | Very low | 44.9 | Very low | 103 Ų | 103 | 142 Ų | 142 | 62% | 0.624 | 80% | 0.799 | S | S | * | * | trans | -129.7 | 123.2 | 159.5 | 176.8 | 0 | 0 | 0 | 0 | 107.1 | S41 Y45 | S41-V43 PolarHBondContact O-N 2.95Å; V43-Y45 HydrophobicContact CB-CE2 4.36Å; V43-Y45 HydrophobicContact CG1-CD2 4.09Å; V43-Y45 HydrophobicContact CG1-CE2 3.47Å; V43-Y45 VanDerWaalsContact CG1-CE2 3.47Å | ||
| 44 | S | 52.8 | Low | 46.3 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -72.3 | 131 | 179.7 | 49.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 45 | Y | 39.8 | Very low | 47.8 | Very low | 211 Ų | 211 | 146 Ų | 146 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -130.2 | 136.7 | 163.4 | -77.4 | -81.4 | 0 | 0 | 0 | 111 | V43 | V43-Y45 HydrophobicContact CB-CE2 4.36Å; V43-Y45 HydrophobicContact CG1-CD2 4.09Å; V43-Y45 HydrophobicContact CG1-CE2 3.47Å; V43-Y45 VanDerWaalsContact CG1-CE2 3.47Å | ||
| 46 | I | 52.3 | Low | 49.2 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -58.5 | 134.8 | 164.1 | -76.7 | 157.4 | 0 | 0 | 0 | 108.3 | ||||
| 47 | D | 50.2 | Low | 50.9 | Low | 150 Ų | 150 | 145 Ų | 145 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -78.5 | 115 | -175.1 | -164.2 | 30.2 | 0 | 0 | 0 | 110.4 | ||||
| 48 | E | 45.9 | Very low | 52.2 | Low | 177 Ų | 177 | 141.1 Ų | 141.1 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -123.8 | 124.7 | 161.3 | -92.4 | -147.5 | 115.9 | 0 | 0 | 109 | G50 | E48-G50 PolarHBondContact O-N 3.32Š| ||
| 49 | P | 51.5 | Low | 53.9 | Low | 129 Ų | 129 | 138.8 Ų | 138.8 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | -86.3 | 100.3 | -171.2 | 32.6 | -31.2 | 0 | 0 | 0 | 110.7 | ||||
| 50 | G | 45.4 | Very low | 55.5 | Low | 65 Ų | 65 | 138.5 Ų | 138.5 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | trans | -160.8 | 106 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E48 | E48-G50 PolarHBondContact O-N 3.32Š| ||
| 51 | H | 53.5 | Low | 57.1 | Low | 183 Ų | 183 | 140.2 Ų | 140.2 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | 55.6 | 102.7 | 159.4 | -93.9 | 61.1 | 0 | 0 | 0 | 118.1 | D53 | H51-D53 PolarHBondContact O-N 3.28Š| ||
| 52 | H | 56 | Low | 58.3 | Low | 169 Ų | 169 | 142.6 Ų | 142.6 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | trans | -73 | 88.7 | 167.3 | -147.5 | -84.8 | 0 | 0 | 0 | 109.2 | D54 | H52-D54 IonicContact CE1-OD1 3.92Å; H52-D54 PolarHBondContact CE1-OD1 2.89Å; H52-D54 IonicContact ND1-OD1 2.88Å; H52-D54 PolarHBondContact ND1-OD1 2.88Å; H52-D54 PolarHBondContact O-N 2.77Å | ||
| 53 | D | 50.5 | Low | 58.9 | Low | 139 Ų | 139 | 144.8 Ų | 144.8 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | -68.9 | 97 | 166.2 | -90.9 | -28.7 | 0 | 0 | 0 | 108.7 | H51 N55 | H51-D53 PolarHBondContact O-N 3.28Å; D53-N55 PolarHBondContact O-N 2.78Å | ||
| 54 | D | 61.3 | Low | 60.1 | Low | 114 Ų | 114 | 144.3 Ų | 144.3 | 61% | 0.61 | 77% | 0.766 | S | S | * | * | trans | -69.7 | 45.6 | 169 | -81.2 | -15.1 | 0 | 0 | 0 | 111.1 | H52 P56 | H52-D54 IonicContact CE1-OD1 3.92Å; H52-D54 PolarHBondContact CE1-OD1 2.89Å; H52-D54 IonicContact ND1-OD1 2.88Å; H52-D54 PolarHBondContact ND1-OD1 2.88Å; H52-D54 PolarHBondContact O-N 2.77Å; D54-P56 WeakPolarHBondContact O-CD 3.39Å | ||
| 55 | N | 63 | Low | 61.2 | Low | 134 Ų | 134 | 144.1 Ų | 144.1 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 116.7 | 176.9 | -144 | 24.2 | 0 | 0 | 0 | 108.7 | D53 R57 | D53-N55 PolarHBondContact O-N 2.78Å; N55-R57 PolarHBondContact O-N 2.87Å |
| 56 | P | 66.2 | Low | 62.9 | Low | 108 Ų | 108 | 140.9 Ų | 140.9 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 117.7 | 176 | 23.5 | -30.3 | 0 | 0 | 0 | 108.1 | D54 P58 | D54-P56 WeakPolarHBondContact O-CD 3.39Å; P56-P58 VanDerWaalsContact O-N 3.15Å |
| 57 | R | 69.3 | Low | 64.2 | Low | 237 Ų | 237 | 135.5 Ų | 135.5 | 89% | 0.894 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -53 | 124.6 | 173.5 | -69.9 | -177.5 | -179.1 | -179.1 | -0.3 | 107.3 | N55 A59 | N55-R57 PolarHBondContact O-N 2.87Å; R57-A59 PolarHBondContact O-N 3.19Å |
| 58 | P | 72.6 | Confident | 65.6 | Low | 114 Ų | 114 | 135.2 Ų | 135.2 | 74% | 0.74 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 134.7 | 177.7 | 19.3 | -28.8 | 0 | 0 | 0 | 108.4 | P56 V60 | P56-P58 VanDerWaalsContact O-N 3.15Å; P58-V60 PolarHBondContact O-N 2.81Å |
| 59 | A | 74.4 | Confident | 67.3 | Low | 97 Ų | 97 | 129.1 Ų | 129.1 | 80% | 0.802 | 70% | 0.699 | S | S | * | * | trans | -54.5 | 114.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | R57 Q61 | R57-A59 PolarHBondContact O-N 3.19Å; A59-Q61 PolarHBondContact O-N 2.97Å | ||
| 60 | V | 77.1 | Confident | 69 | Low | 118 Ų | 118 | 123.7 Ų | 123.7 | 72% | 0.715 | 66% | 0.664 | S | S | * | * | trans | -62 | 108 | 178.6 | 178.6 | 0 | 0 | 0 | 0 | 106.4 | P58 M62 | P58-V60 PolarHBondContact O-N 2.81Å; V60-M62 VanDerWaalsContact C-N 3.35Å; V60-M62 HydrophobicContact CG1-CG 4.44Å; V60-M62 HydrophobicContact CG1-SD 3.96Å; V60-M62 PolarHBondContact O-N 2.91Å | ||
| 61 | Q | 70.9 | Confident | 70.9 | Confident | 189 Ų | 189 | 127.7 Ų | 127.7 | 88% | 0.883 | 67% | 0.67 | S | S | * | * | trans | -68.1 | 100.5 | 167.8 | -105.5 | 178.5 | -8.8 | 0 | 0 | 106.4 | A59 | A59-Q61 PolarHBondContact O-N 2.97Š| ||
| 62 | M | 70.4 | Confident | 72.7 | Confident | 162 Ų | 162 | 125.9 Ų | 125.9 | 80% | 0.798 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 134.8 | 171.7 | -62.7 | -74.2 | -82.3 | 0 | 0 | 107.8 | V60 | V60-M62 VanDerWaalsContact C-N 3.35Å; V60-M62 HydrophobicContact CG1-CG 4.44Å; V60-M62 HydrophobicContact CG1-SD 3.96Å; V60-M62 PolarHBondContact O-N 2.91Å |
| 63 | E | 69.8 | Low | 74.4 | Confident | 171 Ų | 171 | 124 Ų | 124 | 80% | 0.799 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 155.5 | 170.8 | -70.3 | -62.4 | 154.4 | 0 | 0 | 110.8 | T65 | E63-T65 PolarHBondContact O-N 3.28Š|
| 64 | N | 68.4 | Low | 76.5 | Confident | 93 Ų | 93 | 117.9 Ų | 117.9 | 50% | 0.497 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 126.6 | 174.9 | -162.1 | -13.6 | 0 | 0 | 0 | 109 | F66 R123 E177 | N64-F66 VanDerWaalsContact C-N 3.33Å; N64-F66 PolarHBondContact O-N 3.47Å; N64-R123 PolarHBondContact OD1-NH2 2.86Å; N64-R123 VanDerWaalsContact OD1-NH2 3.1Å; N64-E177 PolarHBondContact ND2-O 3.05Å; N64-E177 PolarHBondContact ND2-OXT 3.01Å; N64-E177 PolarHBondContact OD1-OXT 3.04Å |
| 65 | T | 76.3 | Confident | 78.1 | Confident | 102 Ų | 102 | 114.5 Ų | 114.5 | 63% | 0.626 | 59% | 0.592 | S | S | * | * | trans | -69.9 | 97.5 | 174.5 | -54.3 | 0 | 0 | 0 | 0 | 106.8 | E63 Q67 R123 | E63-T65 PolarHBondContact O-N 3.28Å; T65-Q67 VanDerWaalsContact O-CG 3.3Å; T65-Q67 WeakPolarHBondContact O-CG 3.29Å; T65-Q67 PolarHBondContact O-N 3.16Å; T65-R123 PolarHBondContact O-NH2 2.8Å | ||
| 66 | F | 76.6 | Confident | 79.8 | Confident | 142 Ų | 142 | 110.5 Ų | 110.5 | 62% | 0.623 | 57% | 0.573 | S | S | * | * | trans | -52.8 | 124.1 | -180 | -173.1 | -101 | 0 | 0 | 0 | 109.9 | N64 L68 E177 | N64-F66 VanDerWaalsContact C-N 3.33Å; N64-F66 PolarHBondContact O-N 3.47Å; F66-L68 HydrophobicContact CD1-CD2 4.47Å; F66-L68 HydrophobicContact CE1-CD2 3.38Å; F66-L68 HydrophobicContact CE1-CG 3.81Å; F66-L68 HydrophobicContact CZ-CD2 3.54Å; F66-L68 HydrophobicContact CZ-CG 4.42Å; F66-E177 WeakPolarHBondContact CD2-OE1 3.01Å; F66-E177 WeakPolarHBondContact CE2-OE1 3.38Å; F66-E177 WeakPolarHBondContact CE2-OE2 3.4Å; F66-E177 WeakPolarHBondContact CG-OE1 3.06Å | ||
| 67 | Q | 79 | Confident | 81.2 | Confident | 53 Ų | 53 | 112 Ų | 112 | 25% | 0.248 | 57% | 0.574 | C | S | . | * | trans | -139.3 | 122.2 | 175 | -30.6 | 167.4 | -1.1 | 0 | 0 | 109.3 | T65 A69 R123 Y175 E177 | T65-Q67 VanDerWaalsContact O-CG 3.3Å; T65-Q67 WeakPolarHBondContact O-CG 3.29Å; T65-Q67 PolarHBondContact O-N 3.16Å; Q67-A69 PolarHBondContact O-N 3.36Å; Q67-R123 PolarHBondContact O-NH1 2.67Å; Q67-R123 VanDerWaalsContact O-NH1 3.11Å; Q67-Y175 PolarHBondContact O-OH 3.3Å; Q67-E177 PolarHBondContact N-OE1 3.49Å; Q67-E177 VanDerWaalsContact N-OE1 3.17Å | ||
| 68 | L | 79.2 | Confident | 82.6 | Confident | 144 Ų | 144 | 103.9 Ų | 103.9 | 75% | 0.754 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -70.8 | -14.2 | -178.6 | -64.9 | 172.7 | 0 | 0 | 0 | 113.7 | F66 | F66-L68 HydrophobicContact CD1-CD2 4.47Å; F66-L68 HydrophobicContact CE1-CD2 3.38Å; F66-L68 HydrophobicContact CE1-CG 3.81Å; F66-L68 HydrophobicContact CZ-CD2 3.54Å; F66-L68 HydrophobicContact CZ-CG 4.42Å |
| 69 | A | 82.4 | Confident | 83.8 | Confident | 48 Ų | 48 | 98.5 Ų | 98.5 | 40% | 0.397 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -153.4 | 151.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q67 L71 Y175 | Q67-A69 PolarHBondContact O-N 3.36Å; A69-L71 PolarHBondContact O-N 3.38Å; A69-Y175 VanDerWaalsContact C-OH 3.3Å; A69-Y175 PolarHBondContact O-OH 2.91Å |
| 70 | P | 85.9 | Confident | 84.9 | Confident | 16 Ų | 16 | 96.1 Ų | 96.1 | 10% | 0.104 | 49% | 0.49 | C | S | . | . | trans | -66.5 | 132.1 | 176.4 | 25.9 | -33.4 | 0 | 0 | 0 | 111.4 | R72 Y124 N152 Y175 | P70-R72 PolarHBondContact O-N 2.98Å; P70-Y124 HydrophobicContact CB-CE2 3.96Å; P70-N152 WeakPolarHBondContact CD-OD1 3.36Å; P70-N152 HydrophobicContact CG-CB 4.43Å; P70-Y175 HydrophobicContact CB-CD2 3.8Å; P70-Y175 HydrophobicContact CB-CE2 3.6Å; P70-Y175 HydrophobicContact CG-CD2 4.23Å; P70-Y175 HydrophobicContact CG-CE2 4.26Å | ||
| 71 | L | 87.1 | Confident | 85.9 | Confident | 149 Ų | 149 | 95.4 Ų | 95.4 | 78% | 0.78 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -62.6 | -34 | 171.1 | -67.2 | 171.7 | 0 | 0 | 0 | 112.4 | A69 | A69-L71 PolarHBondContact O-N 3.38Š|
| 72 | R | 89.6 | Confident | 87.2 | Confident | 145 Ų | 145 | 87.5 Ų | 87.5 | 55% | 0.547 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -131.5 | 123.8 | 178 | -177.1 | -178.8 | -71 | 169.8 | -3 | 108.9 | P70 | P70-R72 PolarHBondContact O-N 2.98Š|
| 73 | R | 91.9 | Very high | 88.6 | Confident | 128 Ų | 128 | 79.8 Ų | 79.8 | 48% | 0.483 | 41% | 0.408 | S | S | . | . | trans | -69.4 | 152.3 | 175.1 | -65.2 | -73.3 | -178.9 | -177.3 | -11.8 | 110.8 | P75 S151 N152 | R73-P75 WeakPolarHBondContact O-CD 3.49Å; R73-S151 VanDerWaalsContact NH1-C 3.29Å; R73-S151 PolarHBondContact NH1-O 3.31Å; R73-N152 PolarHBondContact NH1-OD1 2.82Å; R73-N152 PolarHBondContact NH2-OD1 3.38Å | ||
| 74 | F | 95.1 | Very high | 89.9 | Confident | 11 Ų | 11 | 76.6 Ų | 76.6 | 5% | 0.048 | 39% | 0.391 | C | S | . | . | trans | -64.8 | 123.6 | 173.4 | -175.2 | -101.6 | 0 | 0 | 0 | 111.2 | V76 V79 V116 Y124 I126 T154 V171 A173 | F74-V76 HydrophobicContact CD1-CG2 3.94Å; F74-V76 PolarHBondContact O-N 2.68Å; F74-V79 HydrophobicContact CE1-CB 4.12Å; F74-V79 HydrophobicContact CE1-CG1 4.25Å; F74-V79 HydrophobicContact CE1-CG2 3.9Å; F74-V79 HydrophobicContact CE2-CG2 4.04Å; F74-V79 HydrophobicContact CZ-CB 4.05Å; F74-V79 HydrophobicContact CZ-CG1 3.95Å; F74-V79 HydrophobicContact CZ-CG2 3.53Å; F74-V116 HydrophobicContact CE2-CG1 3.78Å; F74-V116 HydrophobicContact CZ-CG1 4.14Å; F74-Y124 HydrophobicContact CB-CE1 4.31Å; F74-I126 HydrophobicContact CD2-CD1 4.24Å; F74-I126 HydrophobicContact CE2-CD1 3.75Å; F74-T154 HydrophobicContact CB-CG2 3.68Å; F74-T154 HydrophobicContact CD1-CG2 3.42Å; F74-T154 VanDerWaalsContact CD1-CG2 3.42Å; F74-T154 HydrophobicContact CE1-CG2 4.32Å; F74-T154 HydrophobicContact CG-CG2 3.87Å; F74-V171 HydrophobicContact CZ-CG1 3.91Å; F74-A173 HydrophobicContact CB-CB 4.05Å; F74-A173 HydrophobicContact CD1-CB 3.81Å; F74-A173 HydrophobicContact CD2-CB 3.35Å; F74-A173 HydrophobicContact CE1-CB 3.97Å; F74-A173 HydrophobicContact CE2-CB 3.55Å; F74-A173 HydrophobicContact CG-CB 3.45Å; F74-A173 VanDerWaalsContact CG-CB 3.45Å; F74-A173 HydrophobicContact CZ-CB 3.81Å | ||
| 75 | P | 95.9 | Very high | 91.4 | Very high | 43 Ų | 43 | 76.1 Ų | 76.1 | 28% | 0.279 | 39% | 0.388 | S | S | . | . | trans | -81.7 | 80 | -174.6 | 33.6 | -35.8 | 0 | 0 | 0 | 111.3 | R73 L77 T78 V79 L119 V121 | R73-P75 WeakPolarHBondContact O-CD 3.49Å; P75-L77 VanDerWaalsContact C-N 3.29Å; P75-L77 PolarHBondContact O-N 3.15Å; P75-T78 PolarHBondContact O-N 3.41Å; P75-V79 HydrophobicContact CG-CG2 4.46Å; P75-V79 WeakPolarHBondContact O-CG2 3.47Å; P75-V79 PolarHBondContact O-N 3Å; P75-L119 HydrophobicContact CG-CD1 3.76Å; P75-V121 HydrophobicContact CG-CG2 4.25Å | ||
| 76 | V | 96.8 | Very high | 92.4 | Very high | 51 Ų | 51 | 71.3 Ų | 71.3 | 31% | 0.309 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -52.5 | -42.7 | -174.1 | 177.8 | 0 | 0 | 0 | 0 | 113.2 | F74 V79 N80 T154 S156 | F74-V76 HydrophobicContact CD1-CG2 3.94Å; F74-V76 PolarHBondContact O-N 2.68Å; V76-V79 PolarHBondContact O-N 2.7Å; V76-N80 PolarHBondContact O-N 3.2Å; V76-T154 HydrophobicContact CG2-CG2 3.89Å; V76-S156 PolarHBondContact O-OG 3.19Å |
| 77 | L | 97.1 | Very high | 93.5 | Very high | 139 Ų | 139 | 64.5 Ų | 64.5 | 73% | 0.728 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.9 | -51.5 | -178.1 | -63 | 179.2 | 0 | 0 | 0 | 111.8 | P75 V79 N80 D81 | P75-L77 VanDerWaalsContact C-N 3.29Å; P75-L77 PolarHBondContact O-N 3.15Å; L77-V79 PolarHBondContact O-N 2.97Å; L77-N80 WeakPolarHBondContact O-CA 3.26Å; L77-N80 VanDerWaalsContact O-CB 3.27Å; L77-N80 WeakPolarHBondContact O-CB 3.18Å; L77-N80 PolarHBondContact O-N 3.42Å; L77-D81 PolarHBondContact O-N 2.89Å |
| 78 | T | 97.7 | Very high | 94.3 | Very high | 67 Ų | 67 | 64.6 Ų | 64.6 | 41% | 0.411 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58 | -38.9 | 176.3 | -51.6 | 0 | 0 | 0 | 0 | 111.5 | P75 D81 I82 L119 | P75-T78 PolarHBondContact O-N 3.41Å; T78-D81 PolarHBondContact O-N 3.27Å; T78-I82 WeakPolarHBondContact O-CG1 3.48Å; T78-I82 PolarHBondContact O-N 2.96Å; T78-L119 HydrophobicContact CG2-CD1 4.24Å; T78-L119 HydrophobicContact CG2-CD2 4.07Å |
| 79 | V | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.5 | -38.9 | 175.6 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | F74 P75 V76 L77 D81 I82 L83 V116 L119 V171 | F74-V79 HydrophobicContact CE1-CB 4.12Å; F74-V79 HydrophobicContact CE1-CG1 4.25Å; F74-V79 HydrophobicContact CE1-CG2 3.9Å; F74-V79 HydrophobicContact CE2-CG2 4.04Å; F74-V79 HydrophobicContact CZ-CB 4.05Å; F74-V79 HydrophobicContact CZ-CG1 3.95Å; F74-V79 HydrophobicContact CZ-CG2 3.53Å; P75-V79 HydrophobicContact CG-CG2 4.46Å; P75-V79 WeakPolarHBondContact O-CG2 3.47Å; P75-V79 PolarHBondContact O-N 3Å; V76-V79 PolarHBondContact O-N 2.7Å; L77-V79 PolarHBondContact O-N 2.97Å; V79-D81 VanDerWaalsContact C-N 3.3Å; V79-D81 PolarHBondContact O-N 2.91Å; V79-I82 WeakPolarHBondContact O-CB 3.24Å; V79-I82 PolarHBondContact O-N 3.24Å; V79-I82 VanDerWaalsContact O-N 3.16Å; V79-L83 HydrophobicContact CG1-CG 4.45Å; V79-L83 VanDerWaalsContact O-CG 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.49Å; V79-L83 PolarHBondContact O-N 2.84Å; V79-V116 HydrophobicContact CG1-CG2 3.87Å; V79-V116 HydrophobicContact CG2-CG1 4.29Å; V79-V116 HydrophobicContact CG2-CG2 4.14Å; V79-L119 HydrophobicContact CG2-CD1 3.68Å; V79-V171 HydrophobicContact CG1-CB 4.18Å; V79-V171 HydrophobicContact CG1-CG1 4.27Å; V79-V171 HydrophobicContact CG1-CG2 4.32Å |
| 80 | N | 98.3 | Very high | 95.9 | Very high | 48 Ų | 48 | 62.9 Ų | 62.9 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 174.7 | -157.4 | -94.1 | 0 | 0 | 0 | 111.9 | V76 L77 I82 L83 K84 S156 S157 | V76-N80 PolarHBondContact O-N 3.2Å; L77-N80 WeakPolarHBondContact O-CA 3.26Å; L77-N80 VanDerWaalsContact O-CB 3.27Å; L77-N80 WeakPolarHBondContact O-CB 3.18Å; L77-N80 PolarHBondContact O-N 3.42Å; N80-I82 VanDerWaalsContact C-N 3.34Å; N80-I82 PolarHBondContact O-N 2.94Å; N80-L83 WeakPolarHBondContact O-CB 3.21Å; N80-L83 PolarHBondContact O-N 3.23Å; N80-L83 VanDerWaalsContact O-N 3.15Å; N80-K84 PolarHBondContact O-N 3.15Å; N80-S156 WeakPolarHBondContact CA-OG 3.36Å; N80-S156 PolarHBondContact N-OG 3.34Å; N80-S156 PolarHBondContact ND2-OG 3.39Å; N80-S157 PolarHBondContact ND2-O 3.48Å |
| 81 | D | 98.4 | Very high | 96.4 | Very high | 103 Ų | 103 | 62.2 Ų | 62.2 | 55% | 0.551 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.4 | -40.8 | 175.8 | -63.3 | -33.6 | 0 | 0 | 0 | 111.6 | L77 T78 V79 L83 K84 D85 | L77-D81 PolarHBondContact O-N 2.89Å; T78-D81 PolarHBondContact O-N 3.27Å; V79-D81 VanDerWaalsContact C-N 3.3Å; V79-D81 PolarHBondContact O-N 2.91Å; D81-L83 PolarHBondContact O-N 3.41Å; D81-K84 PolarHBondContact O-N 2.94Å; D81-D85 WeakPolarHBondContact O-CB 3.35Å; D81-D85 PolarHBondContact O-N 3.5Å |
| 82 | I | 98.4 | Very high | 96.9 | Very high | 23 Ų | 23 | 60.5 Ų | 60.5 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 172.6 | -68.4 | 166 | 0 | 0 | 0 | 110.9 | T78 V79 N80 K84 V86 R115 L119 | T78-I82 WeakPolarHBondContact O-CG1 3.48Å; T78-I82 PolarHBondContact O-N 2.96Å; V79-I82 WeakPolarHBondContact O-CB 3.24Å; V79-I82 PolarHBondContact O-N 3.24Å; V79-I82 VanDerWaalsContact O-N 3.16Å; N80-I82 VanDerWaalsContact C-N 3.34Å; N80-I82 PolarHBondContact O-N 2.94Å; I82-K84 VanDerWaalsContact C-N 3.34Å; I82-K84 PolarHBondContact O-N 3.42Å; I82-V86 HydrophobicContact CG2-CG2 4.23Å; I82-V86 WeakPolarHBondContact O-CB 3.2Å; I82-V86 VanDerWaalsContact O-CG2 3.25Å; I82-V86 WeakPolarHBondContact O-CG2 3.43Å; I82-V86 PolarHBondContact O-N 2.92Å; I82-R115 HydrophobicContact CD1-CB 4.34Å; I82-R115 HydrophobicContact CG2-CB 3.79Å; I82-L119 HydrophobicContact CD1-CD1 3.98Å; I82-L119 HydrophobicContact CD1-CD2 4.33Å; I82-L119 HydrophobicContact CD1-CG 4.33Å |
| 83 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 178.6 | -59.6 | -175.6 | 0 | 0 | 0 | 111.1 | V79 N80 D81 L87 I112 H158 A169 V171 | V79-L83 HydrophobicContact CG1-CG 4.45Å; V79-L83 VanDerWaalsContact O-CG 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.49Å; V79-L83 PolarHBondContact O-N 2.84Å; N80-L83 WeakPolarHBondContact O-CB 3.21Å; N80-L83 PolarHBondContact O-N 3.23Å; N80-L83 VanDerWaalsContact O-N 3.15Å; D81-L83 PolarHBondContact O-N 3.41Å; L83-L87 WeakPolarHBondContact O-CB 3.28Å; L83-L87 VanDerWaalsContact O-CG 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.47Å; L83-L87 PolarHBondContact O-N 2.83Å; L83-I112 HydrophobicContact CD2-CB 4.45Å; L83-I112 HydrophobicContact CD2-CD1 3.78Å; L83-I112 HydrophobicContact CD2-CG1 4.11Å; L83-I112 HydrophobicContact CD2-CG2 3.48Å; L83-I112 VanDerWaalsContact CD2-CG2 3.48Å; L83-H158 HydrophobicContact CB-CB 3.63Å; L83-H158 HydrophobicContact CD1-CB 4Å; L83-H158 HydrophobicContact CG-CB 4.46Å; L83-A169 HydrophobicContact CB-CB 4.44Å; L83-A169 HydrophobicContact CD1-CB 4.3Å; L83-A169 HydrophobicContact CD2-CB 4.11Å; L83-A169 HydrophobicContact CG-CB 4.49Å; L83-V171 HydrophobicContact CD1-CG2 4.39Å; L83-V171 HydrophobicContact CD2-CG2 3.58Å; L83-V171 HydrophobicContact CG-CG2 4.5Å |
| 84 | K | 98.4 | Very high | 97.3 | Very high | 104 Ų | 104 | 60.1 Ų | 60.1 | 45% | 0.452 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.9 | -53.7 | 177.9 | -176.7 | -179 | 176.9 | -169.8 | 0 | 111.2 | N80 D81 I82 V86 L87 D88 | N80-K84 PolarHBondContact O-N 3.15Å; D81-K84 PolarHBondContact O-N 2.94Å; I82-K84 VanDerWaalsContact C-N 3.34Å; I82-K84 PolarHBondContact O-N 3.42Å; K84-V86 PolarHBondContact O-N 3.15Å; K84-L87 PolarHBondContact O-N 2.72Å; K84-D88 WeakPolarHBondContact CG-OD2 3.45Å; K84-D88 WeakPolarHBondContact O-CB 3.37Å; K84-D88 PolarHBondContact O-N 3.39Å |
| 85 | D | 98.4 | Very high | 97.3 | Very high | 83 Ų | 83 | 67 Ų | 67 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | -178.3 | 179.9 | 58.2 | 0 | 0 | 0 | 112.4 | D81 S89 R115 | D81-D85 WeakPolarHBondContact O-CB 3.35Å; D81-D85 PolarHBondContact O-N 3.5Å; D85-S89 VanDerWaalsContact O-CB 3.26Å; D85-S89 WeakPolarHBondContact O-CB 3.36Å; D85-S89 PolarHBondContact O-N 2.98Å; D85-S89 PolarHBondContact O-OG 2.72Å; D85-R115 IonicContact OD2-CZ 3.72Å; D85-R115 IonicContact OD2-NH1 2.6Å; D85-R115 PolarHBondContact OD2-NH1 2.83Å; D85-R115 IonicContact OD2-NH2 2.73Å |
| 86 | V | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.1 | -41.5 | 178.2 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | I82 K84 S89 Y90 I108 V111 I112 | I82-V86 HydrophobicContact CG2-CG2 4.23Å; I82-V86 WeakPolarHBondContact O-CB 3.2Å; I82-V86 VanDerWaalsContact O-CG2 3.25Å; I82-V86 WeakPolarHBondContact O-CG2 3.43Å; I82-V86 PolarHBondContact O-N 2.92Å; K84-V86 PolarHBondContact O-N 3.15Å; V86-S89 WeakPolarHBondContact CA-OG 3.27Å; V86-S89 PolarHBondContact O-OG 3.02Å; V86-Y90 HydrophobicContact CG1-CD2 3.83Å; V86-Y90 HydrophobicContact CG1-CE2 4.04Å; V86-Y90 WeakPolarHBondContact O-CB 3.39Å; V86-Y90 VanDerWaalsContact O-CD2 3.25Å; V86-Y90 WeakPolarHBondContact O-CD2 3.43Å; V86-Y90 PolarHBondContact O-N 2.9Å; V86-I108 HydrophobicContact CG1-CG1 4.48Å; V86-I108 HydrophobicContact CG1-CG2 4Å; V86-V111 HydrophobicContact CG1-CB 4.5Å; V86-V111 HydrophobicContact CG1-CG1 4.03Å; V86-V111 HydrophobicContact CG2-CG1 3.99Å; V86-I112 HydrophobicContact CB-CD1 4.36Å; V86-I112 HydrophobicContact CB-CG1 3.95Å; V86-I112 HydrophobicContact CG1-CD1 4.21Å; V86-I112 HydrophobicContact CG1-CG1 3.88Å; V86-I112 HydrophobicContact CG2-CG1 4.07Å |
| 87 | L | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.5 | -44.9 | 178.8 | -70.8 | 174.8 | 0 | 0 | 0 | 111.5 | L83 K84 L91 I108 F160 A167 A169 | L83-L87 WeakPolarHBondContact O-CB 3.28Å; L83-L87 VanDerWaalsContact O-CG 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.47Å; L83-L87 PolarHBondContact O-N 2.83Å; K84-L87 PolarHBondContact O-N 2.72Å; L87-L91 HydrophobicContact CD2-CD1 3.83Å; L87-L91 VanDerWaalsContact O-CB 3.24Å; L87-L91 WeakPolarHBondContact O-CB 3.39Å; L87-L91 PolarHBondContact O-N 3.34Å; L87-I108 HydrophobicContact CD2-CG2 4.17Å; L87-F160 HydrophobicContact CB-CB 3.93Å; L87-F160 HydrophobicContact CB-CD2 4.43Å; L87-F160 HydrophobicContact CB-CG 4.2Å; L87-F160 HydrophobicContact CD1-CB 3.96Å; L87-F160 HydrophobicContact CG-CB 4.47Å; L87-A167 HydrophobicContact CD2-CB 4.02Å; L87-A169 HydrophobicContact CD1-CB 3.73Å; L87-A169 HydrophobicContact CD2-CB 4.44Å; L87-A169 HydrophobicContact CG-CB 4.34Å |
| 88 | D | 97.8 | Very high | 97.3 | Very high | 55 Ų | 55 | 66.7 Ų | 66.7 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 177.5 | -71.7 | -17.2 | 0 | 0 | 0 | 110.7 | K84 Y90 Q92 F160 | K84-D88 WeakPolarHBondContact CG-OD2 3.45Å; K84-D88 WeakPolarHBondContact O-CB 3.37Å; K84-D88 PolarHBondContact O-N 3.39Å; D88-Y90 PolarHBondContact O-N 2.94Å; D88-Q92 WeakPolarHBondContact O-CB 3.31Å; D88-Q92 PolarHBondContact O-N 3.05Å; D88-Q92 VanDerWaalsContact O-N 3.07Å; D88-F160 WeakPolarHBondContact OD1-CD2 3.26Å; D88-F160 VanDerWaalsContact OD1-CE2 3.29Å; D88-F160 WeakPolarHBondContact OD1-CE2 3.22Å |
| 89 | S | 97.7 | Very high | 97.3 | Very high | 74 Ų | 74 | 66.9 Ų | 66.9 | 52% | 0.517 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.2 | -34.7 | -177.5 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | D85 V86 | D85-S89 VanDerWaalsContact O-CB 3.26Å; D85-S89 WeakPolarHBondContact O-CB 3.36Å; D85-S89 PolarHBondContact O-N 2.98Å; D85-S89 PolarHBondContact O-OG 2.72Å; V86-S89 WeakPolarHBondContact CA-OG 3.27Å; V86-S89 PolarHBondContact O-OG 3.02Å |
| 90 | Y | 96.5 | Very high | 97.1 | Very high | 82 Ų | 82 | 69.6 Ų | 69.6 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -91.5 | -25.8 | -178.2 | -80.5 | -95.1 | 0 | 0 | 0 | 114.1 | V86 D88 E94 M104 T107 I108 V111 | V86-Y90 HydrophobicContact CG1-CD2 3.83Å; V86-Y90 HydrophobicContact CG1-CE2 4.04Å; V86-Y90 WeakPolarHBondContact O-CB 3.39Å; V86-Y90 VanDerWaalsContact O-CD2 3.25Å; V86-Y90 WeakPolarHBondContact O-CD2 3.43Å; V86-Y90 PolarHBondContact O-N 2.9Å; D88-Y90 PolarHBondContact O-N 2.94Å; Y90-E94 WeakPolarHBondContact O-CG 3.46Å; Y90-M104 HydrophobicContact CD1-SD 3.74Å; Y90-T107 HydrophobicContact CE1-CG2 4.03Å; Y90-I108 HydrophobicContact CD1-CG1 4.27Å; Y90-I108 HydrophobicContact CD2-CG1 4.42Å; Y90-I108 HydrophobicContact CG-CD1 4.37Å; Y90-I108 HydrophobicContact CG-CG1 3.99Å; Y90-V111 HydrophobicContact CE2-CG1 4.41Å |
| 91 | L | 97.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -120.6 | -10.5 | -167 | -56 | 178.1 | 0 | 0 | 0 | 114.4 | L87 E93 E94 M104 I108 I132 F160 N162 L165 A167 | L87-L91 HydrophobicContact CD2-CD1 3.83Å; L87-L91 VanDerWaalsContact O-CB 3.24Å; L87-L91 WeakPolarHBondContact O-CB 3.39Å; L87-L91 PolarHBondContact O-N 3.34Å; L91-E93 VanDerWaalsContact C-N 3.32Å; L91-E93 PolarHBondContact O-N 3.41Å; L91-E94 PolarHBondContact O-N 2.79Å; L91-M104 HydrophobicContact CD2-CG 3.95Å; L91-I108 HydrophobicContact CD1-CD1 4.07Å; L91-I108 HydrophobicContact CD2-CD1 3.92Å; L91-I108 HydrophobicContact CG-CD1 3.97Å; L91-I132 HydrophobicContact CD1-CD1 4.26Å; L91-I132 HydrophobicContact CD2-CD1 4.16Å; L91-F160 HydrophobicContact CB-CD1 3.93Å; L91-F160 HydrophobicContact CB-CE1 3.48Å; L91-F160 VanDerWaalsContact CB-CE1 3.48Å; L91-F160 HydrophobicContact CB-CZ 4.01Å; L91-F160 HydrophobicContact CD1-CD1 4.06Å; L91-F160 HydrophobicContact CD1-CE1 4.43Å; L91-N162 PolarHBondContact O-ND2 3.36Å; L91-L165 HydrophobicContact CB-CD1 4.3Å; L91-L165 HydrophobicContact CD1-CD1 4.35Å; L91-A167 HydrophobicContact CD1-CB 3.42Å; L91-A167 VanDerWaalsContact CD1-CB 3.42Å |
| 92 | Q | 96.6 | Very high | 97 | Very high | 112 Ų | 112 | 69.5 Ų | 69.5 | 52% | 0.523 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -43.1 | -175.2 | -174.8 | 67 | -0.8 | 0 | 0 | 113.7 | D88 F160 | D88-Q92 WeakPolarHBondContact O-CB 3.31Å; D88-Q92 PolarHBondContact O-N 3.05Å; D88-Q92 VanDerWaalsContact O-N 3.07Å; Q92-F160 VanDerWaalsContact OE1-CE2 3.25Å |
| 93 | E | 95 | Very high | 96.9 | Very high | 188 Ų | 188 | 73.2 Ų | 73.2 | 88% | 0.879 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 1 | -176.3 | -60.6 | -173.7 | 179.3 | 0 | 0 | 113.4 | L91 | L91-E93 VanDerWaalsContact C-N 3.32Å; L91-E93 PolarHBondContact O-N 3.41Å |
| 94 | E | 94.9 | Very high | 96.8 | Very high | 78 Ų | 78 | 74.5 Ų | 74.5 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 143.1 | -175.5 | -70.5 | -62.2 | 165 | 0 | 0 | 113 | Y90 L91 M104 N162 | Y90-E94 WeakPolarHBondContact O-CG 3.46Å; L91-E94 PolarHBondContact O-N 2.79Å; E94-M104 HydrophobicContact CG-CE 4.41Å; E94-N162 PolarHBondContact O-ND2 3.1Å |
| 95 | K | 96.4 | Very high | 96.8 | Very high | 156 Ų | 156 | 71.1 Ų | 71.1 | 68% | 0.678 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -98.2 | 151.8 | 171.7 | -69.9 | -175 | -180 | 178.5 | 0 | 110.5 | E97 | K95-E97 PolarHBondContact O-N 3.25Š|
| 96 | Y | 96.9 | Very high | 96.7 | Very high | 74 Ų | 74 | 74 Ų | 74 | 29% | 0.29 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 120.1 | 178 | -172.3 | -97 | 0 | 0 | 0 | 110.8 | C101 Q134 S164 L165 | Y96-C101 HydrophobicContact CE2-CB 4.27Å; Y96-Q134 HydrophobicContact CD1-CB 3.61Å; Y96-Q134 HydrophobicContact CD1-CG 3.76Å; Y96-Q134 HydrophobicContact CD2-CB 3.98Å; Y96-Q134 HydrophobicContact CE1-CB 3.72Å; Y96-Q134 HydrophobicContact CE1-CG 4.29Å; Y96-Q134 HydrophobicContact CE2-CB 4.09Å; Y96-Q134 VanDerWaalsContact CE2-N 3.3Å; Y96-Q134 HydrophobicContact CG-CB 3.72Å; Y96-Q134 HydrophobicContact CG-CG 3.94Å; Y96-S164 WeakPolarHBondContact CB-OG 3.5Å; Y96-S164 PolarHBondContact N-OG 3.25Å; Y96-L165 HydrophobicContact CD2-CB 4.04Å |
| 97 | E | 96.9 | Very high | 96.7 | Very high | 93 Ų | 93 | 77.1 Ų | 77.1 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | trans | -141.3 | 127.2 | 169 | -168.6 | -75.1 | 119.8 | 0 | 0 | 107.4 | K95 E99 L100 C101 | K95-E97 PolarHBondContact O-N 3.25Å; E97-E99 PolarHBondContact O-N 2.83Å; E97-E99 WeakPolarHBondContact OE1-CB 3.46Å; E97-E99 PolarHBondContact OE1-N 3.38Å; E97-E99 PolarHBondContact OE2-N 3.04Å; E97-L100 HydrophobicContact CB-CB 4.2Å; E97-L100 PolarHBondContact O-N 3.35Å; E97-L100 WeakPolarHBondContact OE2-CB 3.23Å; E97-L100 PolarHBondContact OE2-N 2.88Å; E97-C101 VanDerWaalsContact O-CB 3.28Å; E97-C101 WeakPolarHBondContact O-CB 3.25Å; E97-C101 PolarHBondContact O-N 3.45Å; E97-C101 PolarHBondContact O-SG 2.77Å | ||
| 98 | A | 95.5 | Very high | 96.7 | Very high | 59 Ų | 59 | 77.1 Ų | 77.1 | 49% | 0.488 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.9 | -38.6 | -164.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R102 | A98-R102 WeakPolarHBondContact O-CB 3.45Å; A98-R102 PolarHBondContact O-N 3.26Å; A98-R102 VanDerWaalsContact O-N 3.15Å |
| 99 | E | 96.6 | Very high | 96.7 | Very high | 70 Ų | 70 | 75.6 Ų | 75.6 | 33% | 0.327 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -72.1 | -45.9 | -179.4 | -177.1 | 55.9 | -134.3 | 0 | 0 | 111.4 | E97 R102 Q103 | E97-E99 PolarHBondContact O-N 2.83Å; E97-E99 WeakPolarHBondContact OE1-CB 3.46Å; E97-E99 PolarHBondContact OE1-N 3.38Å; E97-E99 PolarHBondContact OE2-N 3.04Å; E99-R102 VanDerWaalsContact CD-CZ 3.41Å; E99-R102 WeakPolarHBondContact O-CB 3.5Å; E99-R102 PolarHBondContact O-N 3.03Å; E99-R102 IonicContact OE1-CZ 3.84Å; E99-R102 IonicContact OE1-NE 2.72Å; E99-R102 IonicContact OE1-NH1 2.91Å; E99-R102 IonicContact OE1-NH2 2.82Å; E99-R102 PolarHBondContact OE1-NH2 3.32Å; E99-R102 IonicContact OE2-CZ 3.7Å; E99-R102 IonicContact OE2-NE 3.2Å; E99-R102 IonicContact OE2-NH1 2.68Å; E99-R102 PolarHBondContact OE2-NH1 3.05Å; E99-R102 IonicContact OE2-NH2 3.73Å; E99-R102 PolarHBondContact OE2-NH2 3.1Å; E99-Q103 WeakPolarHBondContact O-CG 3.47Å; E99-Q103 PolarHBondContact O-N 3.19Å; E99-Q103 PolarHBondContact OE1-NE2 2.94Å |
| 100 | L | 95.1 | Very high | 96.8 | Very high | 58 Ų | 58 | 77 Ų | 77 | 30% | 0.304 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.6 | -49.7 | 175.5 | 179.8 | 63.2 | 0 | 0 | 0 | 110.8 | E97 R102 Q103 M104 | E97-L100 HydrophobicContact CB-CB 4.2Å; E97-L100 PolarHBondContact O-N 3.35Å; E97-L100 WeakPolarHBondContact OE2-CB 3.23Å; E97-L100 PolarHBondContact OE2-N 2.88Å; L100-R102 PolarHBondContact O-N 3.2Å; L100-Q103 PolarHBondContact O-N 3.27Å; L100-M104 HydrophobicContact CD1-CE 3.92Å; L100-M104 HydrophobicContact CG-CE 4.14Å; L100-M104 WeakPolarHBondContact O-CB 3.38Å; L100-M104 PolarHBondContact O-N 2.84Å |
| 101 | C | 96.8 | Very high | 96.9 | Very high | 9 Ų | 9 | 74.7 Ų | 74.7 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61 | -34.4 | 179.1 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | Y96 E97 Q103 M104 T105 I132 | Y96-C101 HydrophobicContact CE2-CB 4.27Å; E97-C101 VanDerWaalsContact O-CB 3.28Å; E97-C101 WeakPolarHBondContact O-CB 3.25Å; E97-C101 PolarHBondContact O-N 3.45Å; E97-C101 PolarHBondContact O-SG 2.77Å; C101-Q103 VanDerWaalsContact C-N 3.35Å; C101-M104 PolarHBondContact O-N 2.83Å; C101-T105 WeakPolarHBondContact O-CB 3.37Å; C101-T105 PolarHBondContact O-N 2.72Å; C101-T105 PolarHBondContact O-OG1 2.6Å; C101-I132 HydrophobicContact CB-CG2 4.08Å |
| 102 | R | 96.3 | Very high | 96.9 | Very high | 139 Ų | 139 | 74.6 Ų | 74.6 | 53% | 0.525 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 174.2 | -172.2 | 178.9 | 75.2 | -146.8 | 11.5 | 112 | A98 E99 L100 | A98-R102 WeakPolarHBondContact O-CB 3.45Å; A98-R102 PolarHBondContact O-N 3.26Å; A98-R102 VanDerWaalsContact O-N 3.15Å; E99-R102 VanDerWaalsContact CD-CZ 3.41Å; E99-R102 WeakPolarHBondContact O-CB 3.5Å; E99-R102 PolarHBondContact O-N 3.03Å; E99-R102 IonicContact OE1-CZ 3.84Å; E99-R102 IonicContact OE1-NE 2.72Å; E99-R102 IonicContact OE1-NH1 2.91Å; E99-R102 IonicContact OE1-NH2 2.82Å; E99-R102 PolarHBondContact OE1-NH2 3.32Å; E99-R102 IonicContact OE2-CZ 3.7Å; E99-R102 IonicContact OE2-NE 3.2Å; E99-R102 IonicContact OE2-NH1 2.68Å; E99-R102 PolarHBondContact OE2-NH1 3.05Å; E99-R102 IonicContact OE2-NH2 3.73Å; E99-R102 PolarHBondContact OE2-NH2 3.1Å; L100-R102 PolarHBondContact O-N 3.2Å |
| 103 | Q | 97.1 | Very high | 97 | Very high | 101 Ų | 101 | 72 Ų | 72 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -71.4 | -45.4 | 176.3 | -64.4 | 173.6 | 19.9 | 0 | 0 | 110.8 | E99 L100 C101 T105 K106 T107 | E99-Q103 WeakPolarHBondContact O-CG 3.47Å; E99-Q103 PolarHBondContact O-N 3.19Å; E99-Q103 PolarHBondContact OE1-NE2 2.94Å; L100-Q103 PolarHBondContact O-N 3.27Å; C101-Q103 VanDerWaalsContact C-N 3.35Å; Q103-T105 VanDerWaalsContact C-N 3.31Å; Q103-T105 PolarHBondContact O-N 3.32Å; Q103-K106 WeakPolarHBondContact O-CB 3.31Å; Q103-K106 PolarHBondContact O-N 3.25Å; Q103-K106 VanDerWaalsContact O-N 3.1Å; Q103-T107 PolarHBondContact O-N 2.99Å; Q103-T107 PolarHBondContact O-OG1 3.4Å |
| 104 | M | 96.6 | Very high | 97.2 | Very high | 27 Ų | 27 | 65.3 Ų | 65.3 | 13% | 0.133 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 179.5 | -153.6 | 71.6 | 80.5 | 0 | 0 | 111.7 | Y90 L91 E94 L100 C101 K106 T107 I108 I132 | Y90-M104 HydrophobicContact CD1-SD 3.74Å; L91-M104 HydrophobicContact CD2-CG 3.95Å; E94-M104 HydrophobicContact CG-CE 4.41Å; L100-M104 HydrophobicContact CD1-CE 3.92Å; L100-M104 HydrophobicContact CG-CE 4.14Å; L100-M104 WeakPolarHBondContact O-CB 3.38Å; L100-M104 PolarHBondContact O-N 2.84Å; C101-M104 PolarHBondContact O-N 2.83Å; M104-K106 VanDerWaalsContact C-N 3.29Å; M104-K106 PolarHBondContact O-N 3.23Å; M104-T107 PolarHBondContact O-N 2.7Å; M104-I108 HydrophobicContact CG-CD1 3.63Å; M104-I108 HydrophobicContact CG-CG1 4.14Å; M104-I108 VanDerWaalsContact O-CB 3.31Å; M104-I108 WeakPolarHBondContact O-CB 3.33Å; M104-I108 VanDerWaalsContact O-CG1 3.3Å; M104-I108 WeakPolarHBondContact O-CG1 3.28Å; M104-I108 PolarHBondContact O-N 2.92Å; M104-I132 HydrophobicContact CB-CD1 4.32Å |
| 105 | T | 97.4 | Very high | 97.3 | Very high | 34 Ų | 34 | 66 Ų | 66 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.2 | -44 | 176.5 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | C101 Q103 S109 I130 I132 | C101-T105 WeakPolarHBondContact O-CB 3.37Å; C101-T105 PolarHBondContact O-N 2.72Å; C101-T105 PolarHBondContact O-OG1 2.6Å; Q103-T105 VanDerWaalsContact C-N 3.31Å; Q103-T105 PolarHBondContact O-N 3.32Å; T105-S109 VanDerWaalsContact O-CB 3.3Å; T105-S109 WeakPolarHBondContact O-CB 3.12Å; T105-S109 PolarHBondContact O-N 3Å; T105-S109 PolarHBondContact O-OG 2.73Å; T105-I130 HydrophobicContact CG2-CB 3.85Å; T105-I130 HydrophobicContact CG2-CG2 4.02Å; T105-I130 WeakPolarHBondContact CG2-O 3.47Å; T105-I132 WeakPolarHBondContact OG1-CD1 3.44Å |
| 106 | K | 97.5 | Very high | 97.4 | Very high | 143 Ų | 143 | 58.6 Ų | 58.6 | 62% | 0.622 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.7 | -48.1 | 177.1 | -64.9 | 179.2 | -179.5 | -178.4 | 0 | 111.1 | Q103 M104 S109 E110 | Q103-K106 WeakPolarHBondContact O-CB 3.31Å; Q103-K106 PolarHBondContact O-N 3.25Å; Q103-K106 VanDerWaalsContact O-N 3.1Å; M104-K106 VanDerWaalsContact C-N 3.29Å; M104-K106 PolarHBondContact O-N 3.23Å; K106-S109 PolarHBondContact O-N 3.27Å; K106-S109 PolarHBondContact O-OG 3.44Å; K106-E110 PolarHBondContact O-N 3Å; K106-E110 VanDerWaalsContact O-N 3.11Å |
| 107 | T | 98 | Very high | 97.3 | Very high | 66 Ų | 66 | 61.4 Ų | 61.4 | 41% | 0.405 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.4 | -52.8 | 179.3 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | Y90 Q103 M104 S109 E110 V111 | Y90-T107 HydrophobicContact CE1-CG2 4.03Å; Q103-T107 PolarHBondContact O-N 2.99Å; Q103-T107 PolarHBondContact O-OG1 3.4Å; M104-T107 PolarHBondContact O-N 2.7Å; T107-S109 VanDerWaalsContact C-N 3.28Å; T107-S109 PolarHBondContact O-N 3.32Å; T107-E110 PolarHBondContact O-N 3.2Å; T107-V111 HydrophobicContact CG2-CG2 4.39Å; T107-V111 WeakPolarHBondContact O-CG2 3.41Å; T107-V111 PolarHBondContact O-N 2.91Å |
| 108 | I | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58 | -42.1 | 178.4 | -71.2 | 171 | 0 | 0 | 0 | 110.5 | V86 L87 Y90 L91 M104 E110 V111 I112 I130 I132 | V86-I108 HydrophobicContact CG1-CG1 4.48Å; V86-I108 HydrophobicContact CG1-CG2 4Å; L87-I108 HydrophobicContact CD2-CG2 4.17Å; Y90-I108 HydrophobicContact CD1-CG1 4.27Å; Y90-I108 HydrophobicContact CD2-CG1 4.42Å; Y90-I108 HydrophobicContact CG-CD1 4.37Å; Y90-I108 HydrophobicContact CG-CG1 3.99Å; L91-I108 HydrophobicContact CD1-CD1 4.07Å; L91-I108 HydrophobicContact CD2-CD1 3.92Å; L91-I108 HydrophobicContact CG-CD1 3.97Å; M104-I108 HydrophobicContact CG-CD1 3.63Å; M104-I108 HydrophobicContact CG-CG1 4.14Å; M104-I108 VanDerWaalsContact O-CB 3.31Å; M104-I108 WeakPolarHBondContact O-CB 3.33Å; M104-I108 VanDerWaalsContact O-CG1 3.3Å; M104-I108 WeakPolarHBondContact O-CG1 3.28Å; M104-I108 PolarHBondContact O-N 2.92Å; I108-E110 VanDerWaalsContact C-N 3.35Å; I108-E110 PolarHBondContact O-N 3.35Å; I108-V111 PolarHBondContact O-N 2.96Å; I108-I112 HydrophobicContact CG2-CD1 3.56Å; I108-I112 HydrophobicContact CG2-CG1 4.36Å; I108-I112 WeakPolarHBondContact O-CB 3.38Å; I108-I112 WeakPolarHBondContact O-CG1 3.41Å; I108-I112 PolarHBondContact O-N 3.36Å; I108-I130 HydrophobicContact CG2-CD1 4.08Å; I108-I130 HydrophobicContact CG2-CG1 4.09Å; I108-I130 HydrophobicContact CG2-CG2 4.17Å; I108-I132 HydrophobicContact CD1-CD1 4.24Å |
| 109 | S | 98.3 | Very high | 97.3 | Very high | 23 Ų | 23 | 62 Ų | 62 | 16% | 0.161 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 179.4 | 74.6 | 0 | 0 | 0 | 0 | 113 | T105 K106 T107 K113 | T105-S109 VanDerWaalsContact O-CB 3.3Å; T105-S109 WeakPolarHBondContact O-CB 3.12Å; T105-S109 PolarHBondContact O-N 3Å; T105-S109 PolarHBondContact O-OG 2.73Å; K106-S109 PolarHBondContact O-N 3.27Å; K106-S109 PolarHBondContact O-OG 3.44Å; T107-S109 VanDerWaalsContact C-N 3.28Å; T107-S109 PolarHBondContact O-N 3.32Å; S109-K113 VanDerWaalsContact O-CB 3.28Å; S109-K113 WeakPolarHBondContact O-CB 3.43Å; S109-K113 PolarHBondContact O-N 3.34Å |
| 110 | E | 98.3 | Very high | 97 | Very high | 104 Ų | 104 | 65.8 Ų | 65.8 | 49% | 0.486 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -75.3 | -37.2 | 178.4 | -71.1 | -57.2 | 135.9 | 0 | 0 | 111.8 | K106 T107 I108 K113 A114 | K106-E110 PolarHBondContact O-N 3Å; K106-E110 VanDerWaalsContact O-N 3.11Å; T107-E110 PolarHBondContact O-N 3.2Å; I108-E110 VanDerWaalsContact C-N 3.35Å; I108-E110 PolarHBondContact O-N 3.35Å; E110-K113 PolarHBondContact O-N 2.85Å; E110-K113 IonicContact OE1-NZ 3.84Å; E110-K113 PolarHBondContact OE1-NZ 3.35Å; E110-K113 IonicContact OE2-NZ 3.42Å; E110-A114 WeakPolarHBondContact O-CB 3.41Å; E110-A114 PolarHBondContact O-N 3Å |
| 111 | V | 98.4 | Very high | 96.8 | Very high | 33 Ų | 33 | 64 Ų | 64 | 20% | 0.2 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 174.6 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | V86 Y90 T107 I108 A114 R115 | V86-V111 HydrophobicContact CG1-CB 4.5Å; V86-V111 HydrophobicContact CG1-CG1 4.03Å; V86-V111 HydrophobicContact CG2-CG1 3.99Å; Y90-V111 HydrophobicContact CE2-CG1 4.41Å; T107-V111 HydrophobicContact CG2-CG2 4.39Å; T107-V111 WeakPolarHBondContact O-CG2 3.41Å; T107-V111 PolarHBondContact O-N 2.91Å; I108-V111 PolarHBondContact O-N 2.96Å; V111-A114 PolarHBondContact O-N 2.93Å; V111-R115 WeakPolarHBondContact O-CG 3.43Å; V111-R115 PolarHBondContact O-N 2.71Å |
| 112 | I | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 175.9 | -72.7 | 166.4 | 0 | 0 | 0 | 110 | L83 V86 I108 A114 R115 V116 V128 I130 A169 V171 | L83-I112 HydrophobicContact CD2-CB 4.45Å; L83-I112 HydrophobicContact CD2-CD1 3.78Å; L83-I112 HydrophobicContact CD2-CG1 4.11Å; L83-I112 HydrophobicContact CD2-CG2 3.48Å; L83-I112 VanDerWaalsContact CD2-CG2 3.48Å; V86-I112 HydrophobicContact CB-CD1 4.36Å; V86-I112 HydrophobicContact CB-CG1 3.95Å; V86-I112 HydrophobicContact CG1-CD1 4.21Å; V86-I112 HydrophobicContact CG1-CG1 3.88Å; V86-I112 HydrophobicContact CG2-CG1 4.07Å; I108-I112 HydrophobicContact CG2-CD1 3.56Å; I108-I112 HydrophobicContact CG2-CG1 4.36Å; I108-I112 WeakPolarHBondContact O-CB 3.38Å; I108-I112 WeakPolarHBondContact O-CG1 3.41Å; I108-I112 PolarHBondContact O-N 3.36Å; I112-A114 VanDerWaalsContact C-N 3.3Å; I112-A114 PolarHBondContact O-N 3.19Å; I112-R115 PolarHBondContact O-N 2.65Å; I112-V116 HydrophobicContact CG2-CG2 4.18Å; I112-V116 WeakPolarHBondContact O-CB 3.32Å; I112-V116 VanDerWaalsContact O-CG2 3.22Å; I112-V116 WeakPolarHBondContact O-CG2 3.3Å; I112-V116 PolarHBondContact O-N 2.9Å; I112-V128 HydrophobicContact CB-CG1 4.15Å; I112-V128 HydrophobicContact CG2-CG1 3.82Å; I112-V128 HydrophobicContact CG2-CG2 4.13Å; I112-I130 HydrophobicContact CD1-CD1 3.63Å; I112-A169 HydrophobicContact CD1-CB 4.25Å; I112-V171 HydrophobicContact CG2-CG2 3.67Å |
| 113 | K | 98.1 | Very high | 96.1 | Very high | 57 Ų | 57 | 61.9 Ų | 61.9 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.9 | -43.9 | 178.6 | -174.4 | -171.4 | -73.1 | 155.7 | 0 | 111.5 | S109 E110 K117 V128 | S109-K113 VanDerWaalsContact O-CB 3.28Å; S109-K113 WeakPolarHBondContact O-CB 3.43Å; S109-K113 PolarHBondContact O-N 3.34Å; E110-K113 PolarHBondContact O-N 2.85Å; E110-K113 IonicContact OE1-NZ 3.84Å; E110-K113 PolarHBondContact OE1-NZ 3.35Å; E110-K113 IonicContact OE2-NZ 3.42Å; K113-K117 HydrophobicContact CG-CD 4.48Å; K113-K117 WeakPolarHBondContact O-CB 3.25Å; K113-K117 WeakPolarHBondContact O-CG 3.5Å; K113-K117 PolarHBondContact O-N 2.83Å; K113-V128 HydrophobicContact CB-CG2 3.84Å; K113-V128 HydrophobicContact CG-CG2 4.39Å |
| 114 | A | 98.2 | Very high | 96 | Very high | 48 Ų | 48 | 58.3 Ų | 58.3 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.6 | -53.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | E110 V111 I112 V116 K117 D118 | E110-A114 WeakPolarHBondContact O-CB 3.41Å; E110-A114 PolarHBondContact O-N 3Å; V111-A114 PolarHBondContact O-N 2.93Å; I112-A114 VanDerWaalsContact C-N 3.3Å; I112-A114 PolarHBondContact O-N 3.19Å; A114-V116 VanDerWaalsContact C-N 3.29Å; A114-V116 PolarHBondContact O-N 3.33Å; A114-K117 CarbonylContact O-C 3.47Å; A114-K117 WeakPolarHBondContact O-CA 3.22Å; A114-K117 WeakPolarHBondContact O-CB 3.39Å; A114-K117 PolarHBondContact O-N 3.32Å; A114-D118 VanDerWaalsContact O-CG 3.28Å; A114-D118 PolarHBondContact O-N 2.91Å |
| 115 | R | 98.2 | Very high | 95.9 | Very high | 91 Ų | 91 | 62.2 Ų | 62.2 | 34% | 0.343 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.4 | -37.5 | 179.5 | -71.2 | -175 | 176.8 | -166.2 | 0.3 | 113.1 | I82 D85 V111 I112 D118 | I82-R115 HydrophobicContact CD1-CB 4.34Å; I82-R115 HydrophobicContact CG2-CB 3.79Å; D85-R115 IonicContact OD2-CZ 3.72Å; D85-R115 IonicContact OD2-NH1 2.6Å; D85-R115 PolarHBondContact OD2-NH1 2.83Å; D85-R115 IonicContact OD2-NH2 2.73Å; V111-R115 WeakPolarHBondContact O-CG 3.43Å; V111-R115 PolarHBondContact O-N 2.71Å; I112-R115 PolarHBondContact O-N 2.65Å; R115-D118 PolarHBondContact O-N 3.11Å |
| 116 | V | 97.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.2 | -37.6 | 175.5 | 174 | 0 | 0 | 0 | 0 | 111.3 | F74 V79 I112 A114 D118 L119 I126 | F74-V116 HydrophobicContact CE2-CG1 3.78Å; F74-V116 HydrophobicContact CZ-CG1 4.14Å; V79-V116 HydrophobicContact CG1-CG2 3.87Å; V79-V116 HydrophobicContact CG2-CG1 4.29Å; V79-V116 HydrophobicContact CG2-CG2 4.14Å; I112-V116 HydrophobicContact CG2-CG2 4.18Å; I112-V116 WeakPolarHBondContact O-CB 3.32Å; I112-V116 VanDerWaalsContact O-CG2 3.22Å; I112-V116 WeakPolarHBondContact O-CG2 3.3Å; I112-V116 PolarHBondContact O-N 2.9Å; A114-V116 VanDerWaalsContact C-N 3.29Å; A114-V116 PolarHBondContact O-N 3.33Å; V116-D118 VanDerWaalsContact C-N 3.31Å; V116-L119 WeakPolarHBondContact O-CB 3.3Å; V116-L119 PolarHBondContact O-N 3.25Å; V116-I126 HydrophobicContact CB-CG2 4.47Å; V116-I126 HydrophobicContact CG1-CD1 4.18Å; V116-I126 HydrophobicContact CG1-CG1 4.23Å; V116-I126 HydrophobicContact CG1-CG2 3.92Å |
| 117 | K | 95.9 | Very high | 95.9 | Very high | 132 Ų | 132 | 59.5 Ų | 59.5 | 57% | 0.574 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66.9 | -32.1 | 174.2 | -79.1 | -175.5 | 173 | -170.9 | 0 | 112.6 | K113 A114 L119 M120 | K113-K117 HydrophobicContact CG-CD 4.48Å; K113-K117 WeakPolarHBondContact O-CB 3.25Å; K113-K117 WeakPolarHBondContact O-CG 3.5Å; K113-K117 PolarHBondContact O-N 2.83Å; A114-K117 CarbonylContact O-C 3.47Å; A114-K117 WeakPolarHBondContact O-CA 3.22Å; A114-K117 WeakPolarHBondContact O-CB 3.39Å; A114-K117 PolarHBondContact O-N 3.32Å; K117-L119 PolarHBondContact O-N 3.2Å; K117-M120 PolarHBondContact O-N 2.93Å |
| 118 | D | 96.8 | Very high | 95.9 | Very high | 117 Ų | 117 | 57.5 Ų | 57.5 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -66.2 | -17.2 | 177 | -65.4 | -24.2 | 0 | 0 | 0 | 113.1 | A114 R115 V116 M120 | A114-D118 VanDerWaalsContact O-CG 3.28Å; A114-D118 PolarHBondContact O-N 2.91Å; R115-D118 PolarHBondContact O-N 3.11Å; V116-D118 VanDerWaalsContact C-N 3.31Å; D118-M120 PolarHBondContact O-N 2.68Å |
| 119 | L | 94.6 | Very high | 95.9 | Very high | 49 Ų | 49 | 61.6 Ų | 61.6 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -8.5 | 169.3 | -56.4 | 179.9 | 0 | 0 | 0 | 112.9 | P75 T78 V79 I82 V116 K117 V121 | P75-L119 HydrophobicContact CG-CD1 3.76Å; T78-L119 HydrophobicContact CG2-CD1 4.24Å; T78-L119 HydrophobicContact CG2-CD2 4.07Å; V79-L119 HydrophobicContact CG2-CD1 3.68Å; I82-L119 HydrophobicContact CD1-CD1 3.98Å; I82-L119 HydrophobicContact CD1-CD2 4.33Å; I82-L119 HydrophobicContact CD1-CG 4.33Å; V116-L119 WeakPolarHBondContact O-CB 3.3Å; V116-L119 PolarHBondContact O-N 3.25Å; K117-L119 PolarHBondContact O-N 3.2Å; L119-V121 VanDerWaalsContact C-N 3.29Å; L119-V121 HydrophobicContact CB-CG2 3.98Å; L119-V121 PolarHBondContact O-N 3.22Å |
| 120 | M | 91.8 | Very high | 95.8 | Very high | 148 Ų | 148 | 61.1 Ų | 61.1 | 73% | 0.729 | 31% | 0.306 | S | S | * | . | trans | 49 | 50.3 | 176.9 | -60.8 | -175 | -180 | 0 | 0 | 111.9 | K117 D118 P122 | K117-M120 PolarHBondContact O-N 2.93Å; D118-M120 PolarHBondContact O-N 2.68Å; M120-P122 WeakPolarHBondContact O-CD 3.08Å | ||
| 121 | V | 90.1 | Very high | 95.8 | Very high | 20 Ų | 20 | 58 Ų | 58 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | trans | -85.4 | 103.7 | 173.4 | -164.1 | 0 | 0 | 0 | 0 | 107.4 | P75 L119 Y124 | P75-V121 HydrophobicContact CG-CG2 4.25Å; L119-V121 VanDerWaalsContact C-N 3.29Å; L119-V121 HydrophobicContact CB-CG2 3.98Å; L119-V121 PolarHBondContact O-N 3.22Å; V121-Y124 HydrophobicContact CB-CD2 4.38Å; V121-Y124 HydrophobicContact CG1-CD2 3.47Å; V121-Y124 VanDerWaalsContact CG1-CD2 3.47Å; V121-Y124 HydrophobicContact CG1-CE2 3.78Å; V121-Y124 HydrophobicContact CG1-CG 4.43Å | ||
| 122 | P | 88.8 | Confident | 95.7 | Very high | 66 Ų | 66 | 57.7 Ų | 57.7 | 43% | 0.429 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 156.4 | -174.9 | 31.5 | -36.1 | 0 | 0 | 0 | 110.3 | M120 Y124 | M120-P122 WeakPolarHBondContact O-CD 3.08Å; P122-Y124 VanDerWaalsContact C-N 3.3Å; P122-Y124 VanDerWaalsContact O-CD2 3.3Å; P122-Y124 WeakPolarHBondContact O-CD2 3.31Å; P122-Y124 PolarHBondContact O-N 3.02Å |
| 123 | R | 90.8 | Very high | 95.5 | Very high | 39 Ų | 39 | 58.1 Ų | 58.1 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 34.5 | 171.9 | -58.7 | -164.9 | 95 | -176.4 | 33 | 114.6 | N64 T65 Q67 Y175 F176 E177 | N64-R123 PolarHBondContact OD1-NH2 2.86Å; N64-R123 VanDerWaalsContact OD1-NH2 3.1Å; T65-R123 PolarHBondContact O-NH2 2.8Å; Q67-R123 PolarHBondContact O-NH1 2.67Å; Q67-R123 VanDerWaalsContact O-NH1 3.11Å; R123-Y175 HydrophobicContact CB-CD2 4.11Å; R123-Y175 HydrophobicContact CB-CE2 3.66Å; R123-Y175 PolarHBondContact NH1-OH 3.06Å; R123-Y175 CarbonylContact O-C 3.44Å; R123-Y175 WeakPolarHBondContact O-CA 3.23Å; R123-Y175 WeakPolarHBondContact O-CD2 3.47Å; R123-F176 VanDerWaalsContact CB-O 3.23Å; R123-F176 WeakPolarHBondContact CB-O 2.81Å; R123-F176 PolarHBondContact NE-O 2.84Å; R123-F176 PolarHBondContact O-N 3.42Å; R123-E177 PolarHBondContact NE-OXT 3.25Å; R123-E177 VanDerWaalsContact NH2-C 3.34Å; R123-E177 VanDerWaalsContact NH2-CG 3.26Å; R123-E177 PolarHBondContact NH2-OXT 2.7Å |
| 124 | Y | 94.1 | Very high | 95.4 | Very high | 25 Ų | 25 | 60.5 Ų | 60.5 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.1 | 170 | -80.8 | -84.3 | 0 | 0 | 0 | 111 | P70 F74 V121 P122 N152 A173 V174 Y175 | P70-Y124 HydrophobicContact CB-CE2 3.96Å; F74-Y124 HydrophobicContact CB-CE1 4.31Å; V121-Y124 HydrophobicContact CB-CD2 4.38Å; V121-Y124 HydrophobicContact CG1-CD2 3.47Å; V121-Y124 VanDerWaalsContact CG1-CD2 3.47Å; V121-Y124 HydrophobicContact CG1-CE2 3.78Å; V121-Y124 HydrophobicContact CG1-CG 4.43Å; P122-Y124 VanDerWaalsContact C-N 3.3Å; P122-Y124 VanDerWaalsContact O-CD2 3.3Å; P122-Y124 WeakPolarHBondContact O-CD2 3.31Å; P122-Y124 PolarHBondContact O-N 3.02Å; Y124-N152 VanDerWaalsContact CE1-O 3.22Å; Y124-N152 WeakPolarHBondContact CE1-O 3.1Å; Y124-N152 PolarHBondContact OH-O 2.79Å; Y124-A173 HydrophobicContact CD1-CB 3.78Å; Y124-A173 HydrophobicContact CE1-CB 4.28Å; Y124-A173 HydrophobicContact CG-CB 4.49Å; Y124-V174 CarbonylContact C-O 3.57Å; Y124-V174 WeakPolarHBondContact CA-O 3.31Å; Y124-Y175 HydrophobicContact CE2-CD2 4.28Å |
| 125 | K | 94.9 | Very high | 95.1 | Very high | 110 Ų | 110 | 61.3 Ų | 61.3 | 48% | 0.478 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 121.1 | 162.7 | -76.1 | 173.4 | 176.6 | 170.4 | 0 | 108.2 | V174 F176 | K125-V174 PolarHBondContact N-O 3.27Å; K125-V174 PolarHBondContact O-N 2.94Å; K125-F176 HydrophobicContact CD-CB 4.16Å; K125-F176 HydrophobicContact CD-CD2 3.97Å; K125-F176 HydrophobicContact CD-CG 4.11Å; K125-F176 HydrophobicContact CG-CB 3.95Å; K125-F176 HydrophobicContact CG-CG 4.2Å |
| 126 | I | 96.9 | Very high | 94.6 | Very high | 29 Ų | 29 | 59.2 Ų | 59.2 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 121.7 | -179 | -53.5 | -55.6 | 0 | 0 | 0 | 109.6 | F74 V116 V128 V171 Y172 A173 | F74-I126 HydrophobicContact CD2-CD1 4.24Å; F74-I126 HydrophobicContact CE2-CD1 3.75Å; V116-I126 HydrophobicContact CB-CG2 4.47Å; V116-I126 HydrophobicContact CG1-CD1 4.18Å; V116-I126 HydrophobicContact CG1-CG1 4.23Å; V116-I126 HydrophobicContact CG1-CG2 3.92Å; I126-V128 HydrophobicContact CG2-CG2 4.14Å; I126-V171 HydrophobicContact CG2-CG1 3.91Å; I126-Y172 WeakPolarHBondContact CA-O 3.41Å; I126-A173 HydrophobicContact CD1-CB 3.99Å |
| 127 | I | 97.3 | Very high | 94 | Very high | 91 Ų | 91 | 67.7 Ų | 67.7 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 126.3 | 176.4 | -54.9 | 166.4 | 0 | 0 | 0 | 107.5 | V171 Y172 | I127-V171 CarbonylContact O-C 3.57Å; I127-V171 VanDerWaalsContact O-CA 3.31Å; I127-V171 WeakPolarHBondContact O-CA 3.3Å; I127-Y172 HydrophobicContact CB-CD2 4.47Å; I127-Y172 HydrophobicContact CG2-CD2 4.45Å; I127-Y172 PolarHBondContact N-O 3.43Å; I127-Y172 PolarHBondContact O-N 2.93Å |
| 128 | V | 98.1 | Very high | 93.4 | Very high | 24 Ų | 24 | 69.2 Ų | 69.2 | 15% | 0.145 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.1 | 179 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | I112 K113 I126 I130 N170 V171 | I112-V128 HydrophobicContact CB-CG1 4.15Å; I112-V128 HydrophobicContact CG2-CG1 3.82Å; I112-V128 HydrophobicContact CG2-CG2 4.13Å; K113-V128 HydrophobicContact CB-CG2 3.84Å; K113-V128 HydrophobicContact CG-CG2 4.39Å; I126-V128 HydrophobicContact CG2-CG2 4.14Å; V128-I130 HydrophobicContact CG1-CD1 3.77Å; V128-I130 HydrophobicContact CG1-CG1 4.05Å; V128-N170 WeakPolarHBondContact CA-O 3.3Å; V128-V171 HydrophobicContact CG1-CG2 4.27Å; V128-V171 HydrophobicContact CG2-CG2 4.14Å |
| 129 | L | 97.8 | Very high | 92.8 | Very high | 86 Ų | 86 | 71.1 Ų | 71.1 | 45% | 0.45 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 119.1 | 175.5 | 178.4 | 65.5 | 0 | 0 | 0 | 109.1 | N170 | L129-N170 HydrophobicContact CB-CB 4.39Å; L129-N170 PolarHBondContact N-O 3.2Å; L129-N170 PolarHBondContact O-N 3.03Å |
| 130 | I | 97.8 | Very high | 92.6 | Very high | 12 Ų | 12 | 73.6 Ų | 73.6 | 6% | 0.062 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 134.2 | 178.2 | -51.1 | -58.8 | 0 | 0 | 0 | 108.4 | T105 I108 I112 V128 I132 A169 | T105-I130 HydrophobicContact CG2-CB 3.85Å; T105-I130 HydrophobicContact CG2-CG2 4.02Å; T105-I130 WeakPolarHBondContact CG2-O 3.47Å; I108-I130 HydrophobicContact CG2-CD1 4.08Å; I108-I130 HydrophobicContact CG2-CG1 4.09Å; I108-I130 HydrophobicContact CG2-CG2 4.17Å; I112-I130 HydrophobicContact CD1-CD1 3.63Å; V128-I130 HydrophobicContact CG1-CD1 3.77Å; V128-I130 HydrophobicContact CG1-CG1 4.05Å; I130-I132 HydrophobicContact CG2-CG1 4.18Å; I130-A169 HydrophobicContact CD1-CB 3.45Å; I130-A169 VanDerWaalsContact CD1-CB 3.45Å |
| 131 | S | 96.5 | Very high | 92.5 | Very high | 38 Ų | 38 | 78 Ų | 78 | 27% | 0.266 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 121.9 | 174.6 | -59.9 | 0 | 0 | 0 | 0 | 108.7 | A167 V168 | S131-A167 CarbonylContact O-C 3.6Å; S131-A167 WeakPolarHBondContact O-CA 3.29Å; S131-V168 PolarHBondContact N-O 3.32Å; S131-V168 PolarHBondContact O-N 3.48Å |
| 132 | I | 96.6 | Very high | 92.6 | Very high | 27 Ų | 27 | 80.3 Ų | 80.3 | 14% | 0.138 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 135 | 175.4 | -54.7 | -179.2 | 0 | 0 | 0 | 107.6 | L91 C101 M104 T105 I108 I130 L165 F166 A167 | L91-I132 HydrophobicContact CD1-CD1 4.26Å; L91-I132 HydrophobicContact CD2-CD1 4.16Å; C101-I132 HydrophobicContact CB-CG2 4.08Å; M104-I132 HydrophobicContact CB-CD1 4.32Å; T105-I132 WeakPolarHBondContact OG1-CD1 3.44Å; I108-I132 HydrophobicContact CD1-CD1 4.24Å; I130-I132 HydrophobicContact CG2-CG1 4.18Å; I132-L165 HydrophobicContact CG2-CD1 4.42Å; I132-L165 HydrophobicContact CG2-CD2 4.33Å; I132-F166 WeakPolarHBondContact CA-O 3.18Å; I132-A167 HydrophobicContact CG1-CB 4.03Å |
| 133 | G | 94.9 | Very high | 92.8 | Very high | 10 Ų | 10 | 80.7 Ų | 80.7 | 10% | 0.103 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 159.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L165 F166 | G133-L165 CarbonylContact O-C 3.55Å; G133-L165 VanDerWaalsContact O-CA 3.26Å; G133-L165 WeakPolarHBondContact O-CA 3.47Å; G133-L165 VanDerWaalsContact O-CB 3.28Å; G133-L165 WeakPolarHBondContact O-CB 3.35Å; G133-F166 PolarHBondContact N-O 2.76Å; G133-F166 WeakPolarHBondContact O-CD1 3.31Å; G133-F166 PolarHBondContact O-N 3.29Å |
| 134 | Q | 95.6 | Very high | 92.8 | Very high | 107 Ų | 107 | 81.6 Ų | 81.6 | 50% | 0.5 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 141.5 | 176.5 | -169.4 | 175.7 | -2.4 | 0 | 0 | 110.4 | Y96 S136 F166 | Y96-Q134 HydrophobicContact CD1-CB 3.61Å; Y96-Q134 HydrophobicContact CD1-CG 3.76Å; Y96-Q134 HydrophobicContact CD2-CB 3.98Å; Y96-Q134 HydrophobicContact CE1-CB 3.72Å; Y96-Q134 HydrophobicContact CE1-CG 4.29Å; Y96-Q134 HydrophobicContact CE2-CB 4.09Å; Y96-Q134 VanDerWaalsContact CE2-N 3.3Å; Y96-Q134 HydrophobicContact CG-CB 3.72Å; Y96-Q134 HydrophobicContact CG-CG 3.94Å; Q134-S136 PolarHBondContact O-N 3.46Å; Q134-F166 WeakPolarHBondContact O-CE1 3.4Å |
| 135 | L | 93.3 | Very high | 92.8 | Very high | 65 Ų | 65 | 92.3 Ų | 92.3 | 34% | 0.34 | 47% | 0.47 | S | S | . | . | trans | -87 | 96.8 | 169.3 | -167.7 | 71.3 | 0 | 0 | 0 | 109 | K161 S164 | L135-K161 HydrophobicContact CD1-CD 4.38Å; L135-K161 HydrophobicContact CD2-CG 4.5Å; L135-S164 PolarHBondContact N-O 3.11Å | ||
| 136 | S | 86.7 | Confident | 92.6 | Very high | 47 Ų | 47 | 90.2 Ų | 90.2 | 33% | 0.329 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -134.2 | 60.2 | -177.5 | 74.7 | 0 | 0 | 0 | 0 | 113.9 | Q134 Q138 | Q134-S136 PolarHBondContact O-N 3.46Å; S136-Q138 WeakPolarHBondContact O-CG 3.45Å; S136-Q138 PolarHBondContact O-N 3.5Å |
| 137 | D | 83.8 | Confident | 92.5 | Very high | 179 Ų | 179 | 97.7 Ų | 97.7 | 96% | 0.957 | 51% | 0.507 | S | S | * | . | S | Bend | trans | 49.7 | 21.7 | 178.3 | -61.2 | -32.6 | 0 | 0 | 0 | 115.6 | ||
| 138 | Q | 83.4 | Confident | 92.3 | Very high | 164 Ų | 164 | 97.2 Ų | 97.2 | 77% | 0.766 | 50% | 0.5 | S | S | * | . | trans | -107.7 | 153.3 | 176.9 | -72.5 | 174.5 | 3.4 | 0 | 0 | 109.9 | S136 | S136-Q138 WeakPolarHBondContact O-CG 3.45Å; S136-Q138 PolarHBondContact O-N 3.5Å | ||
| 139 | N | 86.1 | Confident | 92 | Very high | 157 Ų | 157 | 99 Ų | 99 | 84% | 0.84 | 51% | 0.509 | S | S | * | . | trans | -106.6 | 135.3 | 176.6 | -166.9 | -17.6 | 0 | 0 | 0 | 110.1 | ||||
| 140 | M | 88.8 | Confident | 91.7 | Very high | 102 Ų | 102 | 100 Ų | 100 | 50% | 0.502 | 52% | 0.523 | S | S | . | . | trans | -131.6 | 132 | 175.6 | -164.7 | -178.8 | 77.4 | 0 | 0 | 109.8 | I142 F166 | M140-I142 HydrophobicContact CE-CD1 3.64Å; M140-I142 HydrophobicContact CE-CG1 3.83Å; M140-F166 HydrophobicContact CE-CD2 4.29Å; M140-F166 HydrophobicContact CE-CE2 3.15Å; M140-F166 HydrophobicContact CE-CZ 3.3Å; M140-F166 HydrophobicContact SD-CE2 4.23Å; M140-F166 HydrophobicContact SD-CZ 3.76Å | ||
| 141 | R | 91 | Very high | 91.3 | Very high | 240 Ų | 240 | 103.2 Ų | 103.2 | 91% | 0.906 | 55% | 0.546 | S | S | * | . | trans | -120 | 124.6 | 175.4 | -167.9 | 174.1 | -173.4 | -176.9 | 2.1 | 109.9 | ||||
| 142 | I | 91.6 | Very high | 91.1 | Very high | 68 Ų | 68 | 102.1 Ų | 102.1 | 35% | 0.349 | 54% | 0.538 | S | S | . | . | trans | -101.1 | 133.9 | 174.2 | -62.8 | 174.9 | 0 | 0 | 0 | 108.3 | M140 V168 | M140-I142 HydrophobicContact CE-CD1 3.64Å; M140-I142 HydrophobicContact CE-CG1 3.83Å; I142-V168 HydrophobicContact CD1-CB 3.78Å; I142-V168 HydrophobicContact CD1-CG1 4.04Å; I142-V168 HydrophobicContact CD1-CG2 3.88Å | ||
| 143 | G | 93 | Very high | 91 | Very high | 75 Ų | 75 | 101.8 Ų | 101.8 | 77% | 0.773 | 54% | 0.536 | S | S | * | . | trans | -140.7 | 147.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 144 | S | 91.6 | Very high | 91.1 | Very high | 57 Ų | 57 | 103.2 Ų | 103.2 | 40% | 0.399 | 54% | 0.543 | S | S | . | . | trans | -124.6 | 146.6 | 175.7 | 49.9 | 0 | 0 | 0 | 0 | 110.2 | Y172 | S144-Y172 WeakPolarHBondContact CB-OH 3.3Å; S144-Y172 PolarHBondContact OG-OH 3.41Å; S144-Y172 VanDerWaalsContact OG-OH 3.05Å | ||
| 145 | R | 93.3 | Very high | 91.1 | Very high | 250 Ų | 250 | 102.6 Ų | 102.6 | 94% | 0.943 | 54% | 0.538 | S | S | * | . | trans | -130 | 132 | 173 | -65.7 | -169.1 | -66.6 | 173.3 | -1.2 | 107.9 | ||||
| 146 | C | 90.4 | Very high | 91.3 | Very high | 67 Ų | 67 | 99.6 Ų | 99.6 | 45% | 0.453 | 52% | 0.523 | S | S | . | . | trans | -131.6 | 143.2 | -176.1 | -59.8 | 0 | 0 | 0 | 0 | 109.6 | W148 | C146-W148 HydrophobicContact CB-CB 4.5Å; C146-W148 HydrophobicContact CB-CD2 3.7Å; C146-W148 HydrophobicContact CB-CE3 4.09Å; C146-W148 HydrophobicContact CB-CG 3.89Å; C146-W148 HydrophobicContact CB-CZ2 4.46Å | ||
| 147 | L | 94.1 | Very high | 91.8 | Very high | 185 Ų | 185 | 99.5 Ų | 99.5 | 97% | 0.969 | 52% | 0.523 | S | S | * | . | trans | -106.7 | 106.6 | 163.3 | -179.3 | 66.8 | 0 | 0 | 0 | 106.4 | ||||
| 148 | W | 94.3 | Very high | 92.5 | Very high | 82 Ų | 82 | 92.8 Ų | 92.8 | 31% | 0.311 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -157.7 | 169.5 | -168.4 | 67.1 | -3.4 | 0 | 0 | 0 | 110.2 | C146 S150 D153 T154 F155 Y172 V174 | C146-W148 HydrophobicContact CB-CB 4.5Å; C146-W148 HydrophobicContact CB-CD2 3.7Å; C146-W148 HydrophobicContact CB-CE3 4.09Å; C146-W148 HydrophobicContact CB-CG 3.89Å; C146-W148 HydrophobicContact CB-CZ2 4.46Å; W148-S150 PolarHBondContact O-N 3.49Å; W148-D153 HydrophobicContact CB-CB 3.93Å; W148-D153 VanDerWaalsContact CB-OD2 3.29Å; W148-D153 WeakPolarHBondContact CB-OD2 3.33Å; W148-D153 HydrophobicContact CD2-CB 3.57Å; W148-D153 HydrophobicContact CE3-CB 3.47Å; W148-D153 VanDerWaalsContact CE3-CB 3.47Å; W148-D153 HydrophobicContact CG-CB 3.8Å; W148-D153 HydrophobicContact CZ3-CB 4.14Å; W148-T154 WeakPolarHBondContact CH2-O 3.41Å; W148-T154 WeakPolarHBondContact CZ3-O 3.34Å; W148-F155 HydrophobicContact CH2-CB 3.98Å; W148-F155 AromaticContact CH2-CD1 3.84Å; W148-F155 HydrophobicContact CH2-CD1 3.84Å; W148-F155 HydrophobicContact CH2-CG 4.33Å; W148-F155 HydrophobicContact CZ2-CD1 4.05Å; W148-Y172 HydrophobicContact CH2-CD1 4.13Å; W148-Y172 AromaticContact CZ3-CD1 3.99Å; W148-Y172 HydrophobicContact CZ3-CD1 3.99Å; W148-V174 HydrophobicContact CE3-CG2 4.32Å |
| 149 | D | 91.9 | Very high | 93.1 | Very high | 62 Ų | 62 | 88.9 Ų | 88.9 | 33% | 0.332 | 48% | 0.476 | S | S | . | . | trans | -75.6 | 110.5 | 177.1 | 172.3 | 22.5 | 0 | 0 | 0 | 110.3 | S151 N152 D153 | D149-S151 PolarHBondContact O-N 3.39Å; D149-S151 WeakPolarHBondContact OD1-CB 3.36Å; D149-S151 PolarHBondContact OD1-N 3.27Å; D149-S151 PolarHBondContact OD1-OG 2.78Å; D149-N152 PolarHBondContact O-N 3.42Å; D149-N152 WeakPolarHBondContact OD2-CB 3.44Å; D149-N152 PolarHBondContact OD2-N 2.99Å; D149-N152 PolarHBondContact OD2-ND2 3.31Å; D149-D153 PolarHBondContact N-OD2 3.49Å; D149-D153 VanDerWaalsContact O-CB 3.31Å; D149-D153 WeakPolarHBondContact O-CB 3.46Å; D149-D153 PolarHBondContact O-N 3.49Å | ||
| 150 | S | 91.1 | Very high | 93.6 | Very high | 107 Ų | 107 | 82 Ų | 82 | 75% | 0.748 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -19.6 | 178.7 | 51.9 | 0 | 0 | 0 | 0 | 114.5 | W148 | W148-S150 PolarHBondContact O-N 3.49Š|
| 151 | S | 90.4 | Very high | 93.9 | Very high | 78 Ų | 78 | 84 Ų | 84 | 55% | 0.545 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -53.2 | 178.5 | -47.8 | 0 | 0 | 0 | 0 | 110.2 | R73 D149 | R73-S151 VanDerWaalsContact NH1-C 3.29Å; R73-S151 PolarHBondContact NH1-O 3.31Å; D149-S151 PolarHBondContact O-N 3.39Å; D149-S151 WeakPolarHBondContact OD1-CB 3.36Å; D149-S151 PolarHBondContact OD1-N 3.27Å; D149-S151 PolarHBondContact OD1-OG 2.78Å |
| 152 | N | 91.4 | Very high | 94.1 | Very high | 16 Ų | 16 | 73.5 Ų | 73.5 | 9% | 0.086 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -30 | -166.5 | -59.6 | -37.1 | 0 | 0 | 0 | 114.1 | P70 R73 Y124 D149 Y175 | P70-N152 WeakPolarHBondContact CD-OD1 3.36Å; P70-N152 HydrophobicContact CG-CB 4.43Å; R73-N152 PolarHBondContact NH1-OD1 2.82Å; R73-N152 PolarHBondContact NH2-OD1 3.38Å; Y124-N152 VanDerWaalsContact CE1-O 3.22Å; Y124-N152 WeakPolarHBondContact CE1-O 3.1Å; Y124-N152 PolarHBondContact OH-O 2.79Å; D149-N152 PolarHBondContact O-N 3.42Å; D149-N152 WeakPolarHBondContact OD2-CB 3.44Å; D149-N152 PolarHBondContact OD2-N 2.99Å; D149-N152 PolarHBondContact OD2-ND2 3.31Å; N152-Y175 HydrophobicContact CB-CD1 4.29Å; N152-Y175 HydrophobicContact CB-CG 4.07Å |
| 153 | D | 94.7 | Very high | 94.3 | Very high | 20 Ų | 20 | 75.5 Ų | 75.5 | 11% | 0.107 | 43% | 0.426 | C | S | . | . | trans | -89 | 141.6 | -178.4 | -56.3 | -34.7 | 0 | 0 | 0 | 111 | W148 D149 A173 V174 Y175 | W148-D153 HydrophobicContact CB-CB 3.93Å; W148-D153 VanDerWaalsContact CB-OD2 3.29Å; W148-D153 WeakPolarHBondContact CB-OD2 3.33Å; W148-D153 HydrophobicContact CD2-CB 3.57Å; W148-D153 HydrophobicContact CE3-CB 3.47Å; W148-D153 VanDerWaalsContact CE3-CB 3.47Å; W148-D153 HydrophobicContact CG-CB 3.8Å; W148-D153 HydrophobicContact CZ3-CB 4.14Å; D149-D153 PolarHBondContact N-OD2 3.49Å; D149-D153 VanDerWaalsContact O-CB 3.31Å; D149-D153 WeakPolarHBondContact O-CB 3.46Å; D149-D153 PolarHBondContact O-N 3.49Å; D153-A173 WeakPolarHBondContact CA-O 3.42Å; D153-V174 VanDerWaalsContact OD1-CA 3.27Å; D153-V174 WeakPolarHBondContact OD1-CA 3.46Å; D153-Y175 PolarHBondContact OD1-N 3.36Å | ||
| 154 | T | 95.9 | Very high | 94.4 | Very high | 40 Ų | 40 | 73.3 Ų | 73.3 | 25% | 0.245 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 173.9 | -176.5 | -165.6 | 0 | 0 | 0 | 0 | 112.2 | F74 V76 W148 A173 | F74-T154 HydrophobicContact CB-CG2 3.68Å; F74-T154 HydrophobicContact CD1-CG2 3.42Å; F74-T154 VanDerWaalsContact CD1-CG2 3.42Å; F74-T154 HydrophobicContact CE1-CG2 4.32Å; F74-T154 HydrophobicContact CG-CG2 3.87Å; V76-T154 HydrophobicContact CG2-CG2 3.89Å; W148-T154 WeakPolarHBondContact CH2-O 3.41Å; W148-T154 WeakPolarHBondContact CZ3-O 3.34Å; T154-A173 HydrophobicContact CG2-CB 4.2Å; T154-A173 PolarHBondContact N-O 3.41Å; T154-A173 PolarHBondContact O-N 2.96Å |
| 155 | F | 96.8 | Very high | 94.6 | Very high | 93 Ų | 93 | 70.6 Ų | 70.6 | 41% | 0.408 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 160.5 | 174.6 | 73 | -72.7 | 0 | 0 | 0 | 111.9 | W148 V171 Y172 | W148-F155 HydrophobicContact CH2-CB 3.98Å; W148-F155 AromaticContact CH2-CD1 3.84Å; W148-F155 HydrophobicContact CH2-CD1 3.84Å; W148-F155 HydrophobicContact CH2-CG 4.33Å; W148-F155 HydrophobicContact CZ2-CD1 4.05Å; F155-V171 CarbonylContact C-O 3.59Å; F155-V171 WeakPolarHBondContact CA-O 3.18Å; F155-V171 VanDerWaalsContact CB-O 3.3Å; F155-V171 WeakPolarHBondContact CB-O 3.4Å; F155-Y172 HydrophobicContact CB-CD1 3.65Å; F155-Y172 HydrophobicContact CB-CE1 3.99Å; F155-Y172 HydrophobicContact CB-CG 4.33Å; F155-Y172 HydrophobicContact CG-CD1 4.47Å; F155-Y172 HydrophobicContact CG-CE1 4.4Å |
| 156 | S | 97.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 139.6 | 166.4 | -169.2 | 0 | 0 | 0 | 0 | 108.9 | V76 N80 N170 V171 | V76-S156 PolarHBondContact O-OG 3.19Å; N80-S156 WeakPolarHBondContact CA-OG 3.36Å; N80-S156 PolarHBondContact N-OG 3.34Å; N80-S156 PolarHBondContact ND2-OG 3.39Å; S156-N170 WeakPolarHBondContact O-CA 3.43Å; S156-V171 PolarHBondContact N-O 3.01Å; S156-V171 PolarHBondContact O-N 3.44Å |
| 157 | S | 97 | Very high | 95.1 | Very high | 45 Ų | 45 | 57.5 Ų | 57.5 | 32% | 0.315 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 137.8 | -178.7 | -171 | 0 | 0 | 0 | 0 | 110.3 | N80 A169 N170 | N80-S157 PolarHBondContact ND2-O 3.48Å; S157-A169 VanDerWaalsContact CA-O 3.31Å; S157-A169 WeakPolarHBondContact CA-O 3.42Å; S157-N170 WeakPolarHBondContact CB-OD1 3.2Å; S157-N170 PolarHBondContact OG-OD1 3.47Å |
| 158 | H | 97.9 | Very high | 95.2 | Very high | 37 Ų | 37 | 49.4 Ų | 49.4 | 17% | 0.171 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 138.4 | 174.9 | -167.8 | 81.2 | 0 | 0 | 0 | 110.3 | L83 V168 A169 | L83-H158 HydrophobicContact CB-CB 3.63Å; L83-H158 HydrophobicContact CD1-CB 4Å; L83-H158 HydrophobicContact CG-CB 4.46Å; H158-V168 WeakPolarHBondContact O-CA 3.28Å; H158-A169 PolarHBondContact N-O 2.88Å; H158-A169 PolarHBondContact O-N 2.8Å |
| 159 | S | 96.9 | Very high | 95.4 | Very high | 83 Ų | 83 | 45.5 Ų | 45.5 | 58% | 0.58 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.6 | 179.5 | -63.5 | 0 | 0 | 0 | 0 | 109.6 | A167 | S159-A167 CarbonylContact C-O 3.59Å; S159-A167 WeakPolarHBondContact CA-O 3.27Å |
| 160 | F | 96.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 5% | 0.053 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 147.3 | 179.3 | 171.4 | -91.8 | 0 | 0 | 0 | 110.3 | L87 D88 L91 Q92 N162 L165 F166 A167 | L87-F160 HydrophobicContact CB-CB 3.93Å; L87-F160 HydrophobicContact CB-CD2 4.43Å; L87-F160 HydrophobicContact CB-CG 4.2Å; L87-F160 HydrophobicContact CD1-CB 3.96Å; L87-F160 HydrophobicContact CG-CB 4.47Å; D88-F160 WeakPolarHBondContact OD1-CD2 3.26Å; D88-F160 VanDerWaalsContact OD1-CE2 3.29Å; D88-F160 WeakPolarHBondContact OD1-CE2 3.22Å; L91-F160 HydrophobicContact CB-CD1 3.93Å; L91-F160 HydrophobicContact CB-CE1 3.48Å; L91-F160 VanDerWaalsContact CB-CE1 3.48Å; L91-F160 HydrophobicContact CB-CZ 4.01Å; L91-F160 HydrophobicContact CD1-CD1 4.06Å; L91-F160 HydrophobicContact CD1-CE1 4.43Å; Q92-F160 VanDerWaalsContact OE1-CE2 3.25Å; F160-N162 HydrophobicContact CE1-CB 3.89Å; F160-N162 HydrophobicContact CZ-CB 3.81Å; F160-L165 HydrophobicContact CD1-CD1 4.22Å; F160-L165 HydrophobicContact CE1-CD1 3.96Å; F160-F166 CarbonylContact O-C 3.6Å; F160-F166 WeakPolarHBondContact O-CA 3.17Å; F160-A167 HydrophobicContact CB-CB 4.35Å; F160-A167 HydrophobicContact CD1-CB 4.31Å; F160-A167 PolarHBondContact N-O 3.4Å; F160-A167 PolarHBondContact O-N 2.88Å |
| 161 | K | 95.6 | Very high | 96 | Very high | 143 Ų | 143 | 37.8 Ų | 37.8 | 62% | 0.622 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 132.5 | 176.1 | 179.4 | -179.4 | 174.8 | -179.3 | 0 | 110.2 | L135 | L135-K161 HydrophobicContact CD1-CD 4.38Å; L135-K161 HydrophobicContact CD2-CG 4.5Å |
| 162 | N | 95 | Very high | 96.4 | Very high | 20 Ų | 20 | 35.3 Ų | 35.3 | 11% | 0.107 | 20% | 0.195 | C | C | . | . | trans | -118.5 | -160.3 | 168.6 | 74.9 | 14.5 | 0 | 0 | 0 | 110.8 | L91 E94 F160 S164 L165 | L91-N162 PolarHBondContact O-ND2 3.36Å; E94-N162 PolarHBondContact O-ND2 3.1Å; F160-N162 HydrophobicContact CE1-CB 3.89Å; F160-N162 HydrophobicContact CZ-CB 3.81Å; N162-S164 PolarHBondContact OD1-N 2.61Å; N162-L165 PolarHBondContact N-O 3.03Å; N162-L165 PolarHBondContact OD1-N 3.17Å; N162-L165 PolarHBondContact OD1-O 2.98Å | ||
| 163 | S | 94.8 | Very high | 96.6 | Very high | 110 Ų | 110 | 34.5 Ų | 34.5 | 77% | 0.769 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -72.6 | -22.3 | -179.4 | 57.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 164 | S | 95.8 | Very high | 96.6 | Very high | 29 Ų | 29 | 35.7 Ų | 35.7 | 20% | 0.203 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -121.5 | -25.4 | -171.5 | -177 | 0 | 0 | 0 | 0 | 114.5 | Y96 L135 N162 | Y96-S164 WeakPolarHBondContact CB-OG 3.5Å; Y96-S164 PolarHBondContact N-OG 3.25Å; L135-S164 PolarHBondContact N-O 3.11Å; N162-S164 PolarHBondContact OD1-N 2.61Å |
| 165 | L | 96.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 165.3 | -174.2 | 62.8 | 78.6 | 0 | 0 | 0 | 112 | L91 Y96 I132 G133 F160 N162 | L91-L165 HydrophobicContact CB-CD1 4.3Å; L91-L165 HydrophobicContact CD1-CD1 4.35Å; Y96-L165 HydrophobicContact CD2-CB 4.04Å; I132-L165 HydrophobicContact CG2-CD1 4.42Å; I132-L165 HydrophobicContact CG2-CD2 4.33Å; G133-L165 CarbonylContact O-C 3.55Å; G133-L165 VanDerWaalsContact O-CA 3.26Å; G133-L165 WeakPolarHBondContact O-CA 3.47Å; G133-L165 VanDerWaalsContact O-CB 3.28Å; G133-L165 WeakPolarHBondContact O-CB 3.35Å; F160-L165 HydrophobicContact CD1-CD1 4.22Å; F160-L165 HydrophobicContact CE1-CD1 3.96Å; N162-L165 PolarHBondContact N-O 3.03Å; N162-L165 PolarHBondContact OD1-N 3.17Å; N162-L165 PolarHBondContact OD1-O 2.98Å |
| 166 | F | 95.8 | Very high | 96 | Very high | 42 Ų | 42 | 35.8 Ų | 35.8 | 18% | 0.184 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 156.9 | 165.3 | 71.4 | -92.8 | 0 | 0 | 0 | 109.3 | I132 G133 Q134 M140 F160 V168 | I132-F166 WeakPolarHBondContact CA-O 3.18Å; G133-F166 PolarHBondContact N-O 2.76Å; G133-F166 WeakPolarHBondContact O-CD1 3.31Å; G133-F166 PolarHBondContact O-N 3.29Å; Q134-F166 WeakPolarHBondContact O-CE1 3.4Å; M140-F166 HydrophobicContact CE-CD2 4.29Å; M140-F166 HydrophobicContact CE-CE2 3.15Å; M140-F166 HydrophobicContact CE-CZ 3.3Å; M140-F166 HydrophobicContact SD-CE2 4.23Å; M140-F166 HydrophobicContact SD-CZ 3.76Å; F160-F166 CarbonylContact O-C 3.6Å; F160-F166 WeakPolarHBondContact O-CA 3.17Å; F166-V168 HydrophobicContact CD2-CG2 4.47Å |
| 167 | A | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 145.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L87 L91 S131 I132 S159 F160 | L87-A167 HydrophobicContact CD2-CB 4.02Å; L91-A167 HydrophobicContact CD1-CB 3.42Å; L91-A167 VanDerWaalsContact CD1-CB 3.42Å; S131-A167 CarbonylContact O-C 3.6Å; S131-A167 WeakPolarHBondContact O-CA 3.29Å; I132-A167 HydrophobicContact CG1-CB 4.03Å; S159-A167 CarbonylContact C-O 3.59Å; S159-A167 WeakPolarHBondContact CA-O 3.27Å; F160-A167 HydrophobicContact CB-CB 4.35Å; F160-A167 HydrophobicContact CD1-CB 4.31Å; F160-A167 PolarHBondContact N-O 3.4Å; F160-A167 PolarHBondContact O-N 2.88Å |
| 168 | V | 97.3 | Very high | 94.6 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 122.2 | 173.6 | -176 | 0 | 0 | 0 | 0 | 108.1 | S131 I142 H158 F166 | S131-V168 PolarHBondContact N-O 3.32Å; S131-V168 PolarHBondContact O-N 3.48Å; I142-V168 HydrophobicContact CD1-CB 3.78Å; I142-V168 HydrophobicContact CD1-CG1 4.04Å; I142-V168 HydrophobicContact CD1-CG2 3.88Å; H158-V168 WeakPolarHBondContact O-CA 3.28Å; F166-V168 HydrophobicContact CD2-CG2 4.47Å |
| 169 | A | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L83 L87 I112 I130 S157 H158 | L83-A169 HydrophobicContact CB-CB 4.44Å; L83-A169 HydrophobicContact CD1-CB 4.3Å; L83-A169 HydrophobicContact CD2-CB 4.11Å; L83-A169 HydrophobicContact CG-CB 4.49Å; L87-A169 HydrophobicContact CD1-CB 3.73Å; L87-A169 HydrophobicContact CD2-CB 4.44Å; L87-A169 HydrophobicContact CG-CB 4.34Å; I112-A169 HydrophobicContact CD1-CB 4.25Å; I130-A169 HydrophobicContact CD1-CB 3.45Å; I130-A169 VanDerWaalsContact CD1-CB 3.45Å; S157-A169 VanDerWaalsContact CA-O 3.31Å; S157-A169 WeakPolarHBondContact CA-O 3.42Å; H158-A169 PolarHBondContact N-O 2.88Å; H158-A169 PolarHBondContact O-N 2.8Å |
| 170 | N | 97.9 | Very high | 94.3 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.032 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 131.5 | 174.6 | -60.2 | -77.4 | 0 | 0 | 0 | 109.2 | V128 L129 S156 S157 Y172 | V128-N170 WeakPolarHBondContact CA-O 3.3Å; L129-N170 HydrophobicContact CB-CB 4.39Å; L129-N170 PolarHBondContact N-O 3.2Å; L129-N170 PolarHBondContact O-N 3.03Å; S156-N170 WeakPolarHBondContact O-CA 3.43Å; S157-N170 WeakPolarHBondContact CB-OD1 3.2Å; S157-N170 PolarHBondContact OG-OD1 3.47Å; N170-Y172 HydrophobicContact CB-CE2 3.84Å |
| 171 | V | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 122.4 | 172.2 | 177.7 | 0 | 0 | 0 | 0 | 108.3 | F74 V79 L83 I112 I126 I127 V128 F155 S156 | F74-V171 HydrophobicContact CZ-CG1 3.91Å; V79-V171 HydrophobicContact CG1-CB 4.18Å; V79-V171 HydrophobicContact CG1-CG1 4.27Å; V79-V171 HydrophobicContact CG1-CG2 4.32Å; L83-V171 HydrophobicContact CD1-CG2 4.39Å; L83-V171 HydrophobicContact CD2-CG2 3.58Å; L83-V171 HydrophobicContact CG-CG2 4.5Å; I112-V171 HydrophobicContact CG2-CG2 3.67Å; I126-V171 HydrophobicContact CG2-CG1 3.91Å; I127-V171 CarbonylContact O-C 3.57Å; I127-V171 VanDerWaalsContact O-CA 3.31Å; I127-V171 WeakPolarHBondContact O-CA 3.3Å; V128-V171 HydrophobicContact CG1-CG2 4.27Å; V128-V171 HydrophobicContact CG2-CG2 4.14Å; F155-V171 CarbonylContact C-O 3.59Å; F155-V171 WeakPolarHBondContact CA-O 3.18Å; F155-V171 VanDerWaalsContact CB-O 3.3Å; F155-V171 WeakPolarHBondContact CB-O 3.4Å; S156-V171 PolarHBondContact N-O 3.01Å; S156-V171 PolarHBondContact O-N 3.44Å |
| 172 | Y | 97.4 | Very high | 94 | Very high | 26 Ų | 26 | 32.1 Ų | 32.1 | 10% | 0.102 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133.8 | 172.2 | -54.2 | -92.1 | 0 | 0 | 0 | 108.8 | I126 I127 S144 W148 F155 N170 | I126-Y172 WeakPolarHBondContact CA-O 3.41Å; I127-Y172 HydrophobicContact CB-CD2 4.47Å; I127-Y172 HydrophobicContact CG2-CD2 4.45Å; I127-Y172 PolarHBondContact N-O 3.43Å; I127-Y172 PolarHBondContact O-N 2.93Å; S144-Y172 WeakPolarHBondContact CB-OH 3.3Å; S144-Y172 PolarHBondContact OG-OH 3.41Å; S144-Y172 VanDerWaalsContact OG-OH 3.05Å; W148-Y172 HydrophobicContact CH2-CD1 4.13Å; W148-Y172 AromaticContact CZ3-CD1 3.99Å; W148-Y172 HydrophobicContact CZ3-CD1 3.99Å; F155-Y172 HydrophobicContact CB-CD1 3.65Å; F155-Y172 HydrophobicContact CB-CE1 3.99Å; F155-Y172 HydrophobicContact CB-CG 4.33Å; F155-Y172 HydrophobicContact CG-CD1 4.47Å; F155-Y172 HydrophobicContact CG-CE1 4.4Å; N170-Y172 HydrophobicContact CB-CE2 3.84Å |
| 173 | A | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 110.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | F74 Y124 I126 D153 T154 | F74-A173 HydrophobicContact CB-CB 4.05Å; F74-A173 HydrophobicContact CD1-CB 3.81Å; F74-A173 HydrophobicContact CD2-CB 3.35Å; F74-A173 HydrophobicContact CE1-CB 3.97Å; F74-A173 HydrophobicContact CE2-CB 3.55Å; F74-A173 HydrophobicContact CG-CB 3.45Å; F74-A173 VanDerWaalsContact CG-CB 3.45Å; F74-A173 HydrophobicContact CZ-CB 3.81Å; Y124-A173 HydrophobicContact CD1-CB 3.78Å; Y124-A173 HydrophobicContact CE1-CB 4.28Å; Y124-A173 HydrophobicContact CG-CB 4.49Å; I126-A173 HydrophobicContact CD1-CB 3.99Å; D153-A173 WeakPolarHBondContact CA-O 3.42Å; T154-A173 HydrophobicContact CG2-CB 4.2Å; T154-A173 PolarHBondContact N-O 3.41Å; T154-A173 PolarHBondContact O-N 2.96Å |
| 174 | V | 95.4 | Very high | 93.9 | Very high | 44 Ų | 44 | 27.4 Ų | 27.4 | 27% | 0.267 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 121.5 | 178.8 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | Y124 K125 W148 D153 F176 | Y124-V174 CarbonylContact C-O 3.57Å; Y124-V174 WeakPolarHBondContact CA-O 3.31Å; K125-V174 PolarHBondContact N-O 3.27Å; K125-V174 PolarHBondContact O-N 2.94Å; W148-V174 HydrophobicContact CE3-CG2 4.32Å; D153-V174 VanDerWaalsContact OD1-CA 3.27Å; D153-V174 WeakPolarHBondContact OD1-CA 3.46Å; V174-F176 PolarHBondContact O-N 2.88Å |
| 175 | Y | 93.2 | Very high | 93.8 | Very high | 34 Ų | 34 | 27.2 Ų | 27.2 | 13% | 0.133 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 131.5 | 177.6 | -177.8 | -113.8 | 0 | 0 | 0 | 109.6 | Q67 A69 P70 R123 Y124 N152 D153 | Q67-Y175 PolarHBondContact O-OH 3.3Å; A69-Y175 VanDerWaalsContact C-OH 3.3Å; A69-Y175 PolarHBondContact O-OH 2.91Å; P70-Y175 HydrophobicContact CB-CD2 3.8Å; P70-Y175 HydrophobicContact CB-CE2 3.6Å; P70-Y175 HydrophobicContact CG-CD2 4.23Å; P70-Y175 HydrophobicContact CG-CE2 4.26Å; R123-Y175 HydrophobicContact CB-CD2 4.11Å; R123-Y175 HydrophobicContact CB-CE2 3.66Å; R123-Y175 PolarHBondContact NH1-OH 3.06Å; R123-Y175 CarbonylContact O-C 3.44Å; R123-Y175 WeakPolarHBondContact O-CA 3.23Å; R123-Y175 WeakPolarHBondContact O-CD2 3.47Å; Y124-Y175 HydrophobicContact CE2-CD2 4.28Å; N152-Y175 HydrophobicContact CB-CD1 4.29Å; N152-Y175 HydrophobicContact CB-CG 4.07Å; D153-Y175 PolarHBondContact OD1-N 3.36Å |
| 176 | F | 85.5 | Confident | 93.6 | Very high | 102 Ų | 102 | 29.4 Ų | 29.4 | 45% | 0.447 | 14% | 0.137 | S | C | . | . | trans | -126 | 113.8 | -176.9 | 178.9 | -108.8 | 0 | 0 | 0 | 109.1 | R123 K125 V174 | R123-F176 VanDerWaalsContact CB-O 3.23Å; R123-F176 WeakPolarHBondContact CB-O 2.81Å; R123-F176 PolarHBondContact NE-O 2.84Å; R123-F176 PolarHBondContact O-N 3.42Å; K125-F176 HydrophobicContact CD-CB 4.16Å; K125-F176 HydrophobicContact CD-CD2 3.97Å; K125-F176 HydrophobicContact CD-CG 4.11Å; K125-F176 HydrophobicContact CG-CB 3.95Å; K125-F176 HydrophobicContact CG-CG 4.2Å; V174-F176 PolarHBondContact O-N 2.88Å | ||
| 177 | E | 70.6 | Confident | 93.4 | Very high | 84 Ų | 84 | 28.3 Ų | 28.3 | 39% | 0.393 | 13% | 0.133 | S | C | . | . | trans | -64.7 | 0 | 171.6 | -167.1 | 160.5 | -145.3 | 0 | 0 | 111 | N64 F66 Q67 R123 | N64-E177 PolarHBondContact ND2-O 3.05Å; N64-E177 PolarHBondContact ND2-OXT 3.01Å; N64-E177 PolarHBondContact OD1-OXT 3.04Å; F66-E177 WeakPolarHBondContact CD2-OE1 3.01Å; F66-E177 WeakPolarHBondContact CE2-OE1 3.38Å; F66-E177 WeakPolarHBondContact CE2-OE2 3.4Å; F66-E177 WeakPolarHBondContact CG-OE1 3.06Å; Q67-E177 PolarHBondContact N-OE1 3.49Å; Q67-E177 VanDerWaalsContact N-OE1 3.17Å; R123-E177 PolarHBondContact NE-OXT 3.25Å; R123-E177 VanDerWaalsContact NH2-C 3.34Å; R123-E177 VanDerWaalsContact NH2-CG 3.26Å; R123-E177 PolarHBondContact NH2-OXT 2.7Å |
Retrieved 177 of 177 residues in 414.6 ms
(Link to these results)