| 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 | 47.8 | Very low | 39.1 | Very low | 243 Ų | 243 | 167.7 Ų | 167.7 | 100% | 1.197 | 83% | 0.828 | S | S | * | * | 0 | 90 | 0 | 174.1 | -177 | -80.1 | 0 | 0 | 105 | |||||
| 2 | E | 33.1 | Very low | 39.1 | Very low | 195 Ų | 195 | 164.8 Ų | 164.8 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | trans | -156.1 | 172.4 | -173 | -141.4 | 166.1 | 149.7 | 0 | 0 | 108.4 | ||||
| 3 | L | 40.7 | Very low | 39.1 | Very low | 167 Ų | 167 | 168 Ų | 168 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -103.2 | -176.9 | -163.9 | -73.6 | 163.8 | 0 | 0 | 0 | 113.4 | ||||
| 4 | D | 32.1 | Very low | 39 | Very low | 142 Ų | 142 | 165.2 Ų | 165.2 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | trans | 103.9 | 170 | 148.4 | -134 | 77.7 | 0 | 0 | 0 | 119 | ||||
| 5 | F | 38.8 | Very low | 38.9 | Very low | 191 Ų | 191 | 162.3 Ų | 162.3 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | trans | -94 | 140.6 | -142.7 | -79.1 | -108.2 | 0 | 0 | 0 | 115.2 | ||||
| 6 | G | 33.6 | Very low | 39.2 | Very low | 83 Ų | 83 | 167.1 Ų | 167.1 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | trans | -104 | 98.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 7 | H | 48.2 | Very low | 39.1 | Very low | 160 Ų | 160 | 167.2 Ų | 167.2 | 74% | 0.741 | 83% | 0.833 | S | S | * | * | trans | -84.2 | 133 | 170.1 | 166.6 | 80.4 | 0 | 0 | 0 | 110.4 | ||||
| 8 | F | 35.5 | Very low | 38.9 | Very low | 193 Ų | 193 | 167.3 Ų | 167.3 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | trans | -147 | 124.5 | 163.3 | -157.3 | -97.7 | 0 | 0 | 0 | 110.3 | ||||
| 9 | D | 44.1 | Very low | 39 | Very low | 121 Ų | 121 | 172 Ų | 172 | 65% | 0.647 | 84% | 0.84 | S | S | * | * | trans | -94.8 | -171.6 | 177.1 | -148.3 | -66.1 | 0 | 0 | 0 | 110.3 | ||||
| 10 | E | 38.3 | Very low | 38.9 | Very low | 131 Ų | 131 | 167.5 Ų | 167.5 | 61% | 0.612 | 84% | 0.84 | S | S | * | * | trans | 63.6 | 110 | 162.9 | -163.9 | 179 | 136.4 | 0 | 0 | 116.9 | ||||
| 11 | R | 37.5 | Very low | 39.2 | Very low | 219 Ų | 219 | 165.3 Ų | 165.3 | 83% | 0.826 | 84% | 0.841 | S | S | * | * | -166.5 | 141.5 | 89.7 | -148.8 | 152.4 | -159.1 | 150.1 | 13.4 | 115.3 | |||||
| 12 | D | 39 | Very low | 39.2 | Very low | 132 Ų | 132 | 164.8 Ų | 164.8 | 71% | 0.706 | 83% | 0.825 | S | S | * | * | trans | -64.2 | 138.3 | 176.1 | -142.8 | -52.5 | 0 | 0 | 0 | 113.2 | ||||
| 13 | K | 39 | Very low | 39.7 | Very low | 207 Ų | 207 | 163.6 Ų | 163.6 | 90% | 0.9 | 82% | 0.822 | S | S | * | * | trans | -157.6 | 125.4 | 145.8 | -121.4 | 162.2 | -171.4 | 170.2 | 0 | 113.4 | ||||
| 14 | T | 38.2 | Very low | 40.2 | Very low | 129 Ų | 129 | 163.6 Ų | 163.6 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | -78.4 | 133.2 | -176.7 | 42.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 15 | S | 38.3 | Very low | 40.5 | Very low | 122 Ų | 122 | 160 Ų | 160 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -151.8 | 141.8 | 146.6 | -169.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 16 | R | 43.8 | Very low | 41.2 | Very low | 238 Ų | 238 | 158.2 Ų | 158.2 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -105.3 | 132.4 | -179.2 | -57.4 | 172.5 | -174.3 | 141.5 | 0.5 | 108.7 | ||||
| 17 | N | 36.5 | Very low | 42 | Very low | 169 Ų | 169 | 160 Ų | 160 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | trans | -150.3 | 149.2 | 143.8 | -140.3 | -10.6 | 0 | 0 | 0 | 113.4 | ||||
| 18 | M | 35.1 | Very low | 41.8 | Very low | 169 Ų | 169 | 157.1 Ų | 157.1 | 83% | 0.833 | 81% | 0.812 | S | S | * | * | trans | -96.1 | 134.8 | -173.5 | -77.9 | -82.5 | -166.1 | 0 | 0 | 112.1 | ||||
| 19 | R | 40.6 | Very low | 42.7 | Very low | 257 Ų | 257 | 153.2 Ų | 153.2 | 97% | 0.97 | 81% | 0.806 | S | S | * | * | -168.5 | 138.4 | 126.5 | -100.6 | 152.7 | -170.2 | -159.1 | 1.4 | 110 | |||||
| 20 | G | 37.1 | Very low | 43 | Very low | 81 Ų | 81 | 153.7 Ų | 153.7 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -91.5 | 139.5 | -161.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 21 | S | 45.6 | Very low | 43.6 | Very low | 122 Ų | 122 | 156.8 Ų | 156.8 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -93.2 | 113.1 | 162.1 | -177 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 22 | R | 47.1 | Very low | 44.2 | Very low | 232 Ų | 232 | 149.7 Ų | 149.7 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | trans | -152.6 | 88.1 | 171.5 | -78.3 | -166.5 | 177.1 | 179.8 | -0.8 | 111.8 | ||||
| 23 | M | 45.4 | Very low | 44.8 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 84% | 0.837 | 81% | 0.805 | S | S | * | * | -177.4 | 127.3 | 123.6 | 52.1 | -176.2 | 72.4 | 0 | 0 | 111.9 | G25 | M23-G25 VanDerWaalsContact C-N 3.35Å; M23-G25 PolarHBondContact O-N 3.16Å; M23-G25 VanDerWaalsContact O-N 3.13Å | |||
| 24 | N | 49.4 | Very low | 45.4 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | -76.4 | 93.1 | 157.7 | -75.9 | 8.5 | 0 | 0 | 0 | 107.3 | L26 | N24-L26 PolarHBondContact O-N 3.38Š| ||
| 25 | G | 39.1 | Very low | 45.9 | Very low | 66 Ų | 66 | 139.6 Ų | 139.6 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | trans | -68.9 | 89.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | M23 | M23-G25 VanDerWaalsContact C-N 3.35Å; M23-G25 PolarHBondContact O-N 3.16Å; M23-G25 VanDerWaalsContact O-N 3.13Å | ||
| 26 | L | 54.5 | Low | 46.7 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | trans | -56.8 | 134.8 | 164.2 | -73 | 170.1 | 0 | 0 | 0 | 108.8 | N24 S28 | N24-L26 PolarHBondContact O-N 3.38Å; L26-S28 PolarHBondContact O-N 2.99Å | ||
| 27 | P | 49 | Very low | 47.1 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | trans | -65.5 | 111.4 | 178.2 | 26 | -33.1 | 0 | 0 | 0 | 109.9 | ||||
| 28 | S | 45.2 | Very low | 47.9 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | trans | -52.5 | 127.1 | 174.6 | -58.2 | 0 | 0 | 0 | 0 | 110.5 | L26 T30 | L26-S28 PolarHBondContact O-N 2.99Å; S28-T30 PolarHBondContact O-N 2.95Å | ||
| 29 | P | 53.4 | Low | 48.7 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | trans | -62.2 | 101.2 | 176.9 | -25.7 | 35.8 | 0 | 0 | 0 | 111.7 | ||||
| 30 | T | 51.4 | Low | 49.6 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | trans | -60.3 | 142.8 | 179.5 | -51.9 | 0 | 0 | 0 | 0 | 111 | S28 S32 | S28-T30 PolarHBondContact O-N 2.95Å; T30-S32 PolarHBondContact O-N 3.25Å | ||
| 31 | H | 51.3 | Low | 50.7 | Low | 195 Ų | 195 | 127.9 Ų | 127.9 | 90% | 0.903 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -56.5 | 99 | -166.7 | -170.5 | -93 | 0 | 0 | 0 | 114.2 | ||
| 32 | S | 48.6 | Very low | 51.5 | Low | 71 Ų | 71 | 125.8 Ų | 125.8 | 50% | 0.497 | 67% | 0.669 | S | S | . | * | trans | -143.3 | 136.1 | 172.6 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | T30 H34 C35 | T30-S32 PolarHBondContact O-N 3.25Å; S32-H34 PolarHBondContact O-N 3.34Å; S32-C35 PolarHBondContact O-N 2.64Å | ||
| 33 | A | 51.6 | Low | 51.9 | Low | 69 Ų | 69 | 119.4 Ų | 119.4 | 57% | 0.57 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -11.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S36 F37 | A33-S36 PolarHBondContact O-OG 2.99Å; A33-F37 VanDerWaalsContact O-CD2 3.24Å; A33-F37 WeakPolarHBondContact O-CD2 3.37Å |
| 34 | H | 51.2 | Low | 52.7 | Low | 120 Ų | 120 | 117.7 Ų | 117.7 | 56% | 0.556 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69 | -32 | 174.6 | -87.3 | 69.7 | 0 | 0 | 0 | 113.6 | S32 S36 F37 Y38 | S32-H34 PolarHBondContact O-N 3.34Å; H34-S36 VanDerWaalsContact C-N 3.27Å; H34-S36 PolarHBondContact O-N 2.82Å; H34-F37 PolarHBondContact O-N 2.79Å; H34-F37 VanDerWaalsContact O-N 3.13Å; H34-Y38 HydrophobicContact CB-CE2 4.46Å; H34-Y38 WeakPolarHBondContact O-CD2 3.19Å; H34-Y38 PolarHBondContact O-N 3.31Å |
| 35 | C | 49.1 | Very low | 53.1 | Low | 67 Ų | 67 | 112.5 Ų | 112.5 | 45% | 0.453 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -60.4 | -39 | -177.4 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | S32 F37 R39 | S32-C35 PolarHBondContact O-N 2.64Å; C35-F37 PolarHBondContact O-N 2.85Å; C35-R39 WeakPolarHBondContact O-CB 3.38Å; C35-R39 PolarHBondContact O-N 3.19Å |
| 36 | S | 55.1 | Low | 54 | Low | 65 Ų | 65 | 113.8 Ų | 113.8 | 46% | 0.455 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -56.2 | -48.2 | 173.7 | 9.5 | 0 | 0 | 0 | 0 | 112.8 | A33 H34 R39 T40 | A33-S36 PolarHBondContact O-OG 2.99Å; H34-S36 VanDerWaalsContact C-N 3.27Å; H34-S36 PolarHBondContact O-N 2.82Å; S36-R39 PolarHBondContact O-N 3.3Å; S36-T40 WeakPolarHBondContact O-CG2 3.29Å; S36-T40 PolarHBondContact O-N 3Å; S36-T40 PolarHBondContact O-OG1 3.46Å |
| 37 | F | 51.8 | Low | 54.1 | Low | 144 Ų | 144 | 109.7 Ų | 109.7 | 63% | 0.632 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.4 | -40.6 | -177.3 | -70.5 | -72.8 | 0 | 0 | 0 | 112.9 | A33 H34 C35 T40 R41 | A33-F37 VanDerWaalsContact O-CD2 3.24Å; A33-F37 WeakPolarHBondContact O-CD2 3.37Å; H34-F37 PolarHBondContact O-N 2.79Å; H34-F37 VanDerWaalsContact O-N 3.13Å; C35-F37 PolarHBondContact O-N 2.85Å; F37-T40 PolarHBondContact O-OG1 2.86Å; F37-R41 WeakPolarHBondContact O-CB 3.42Å; F37-R41 PolarHBondContact O-N 3.3Å |
| 38 | Y | 53.3 | Low | 54.6 | Low | 145 Ų | 145 | 108.5 Ų | 108.5 | 57% | 0.569 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.5 | -42.5 | 174.6 | -73.1 | -74.7 | 0 | 0 | 0 | 111.5 | H34 R41 T42 | H34-Y38 HydrophobicContact CB-CE2 4.46Å; H34-Y38 WeakPolarHBondContact O-CD2 3.19Å; H34-Y38 PolarHBondContact O-N 3.31Å; Y38-R41 PolarHBondContact O-N 3.03Å; Y38-T42 WeakPolarHBondContact O-CG2 3.1Å; Y38-T42 PolarHBondContact O-N 3.18Å; Y38-T42 PolarHBondContact O-OG1 3.25Å |
| 39 | R | 53.8 | Low | 55.1 | Low | 174 Ų | 174 | 110.9 Ų | 110.9 | 66% | 0.657 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.8 | -40.7 | -179.7 | -172.2 | 176.3 | -177.9 | -125.6 | 0.7 | 113.1 | C35 S36 T42 L43 | C35-R39 WeakPolarHBondContact O-CB 3.38Å; C35-R39 PolarHBondContact O-N 3.19Å; S36-R39 PolarHBondContact O-N 3.3Å; R39-T42 PolarHBondContact O-OG1 3.24Å; R39-L43 HydrophobicContact CG-CD1 4.11Å; R39-L43 WeakPolarHBondContact O-CB 3.46Å; R39-L43 VanDerWaalsContact O-CG 3.3Å; R39-L43 WeakPolarHBondContact O-CG 3.33Å; R39-L43 PolarHBondContact O-N 2.95Å; R39-L43 VanDerWaalsContact O-N 3.14Å |
| 40 | T | 59.3 | Low | 55.4 | Low | 82 Ų | 82 | 113.7 Ų | 113.7 | 50% | 0.503 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.3 | -42.2 | 174.9 | 54.6 | 0 | 0 | 0 | 0 | 111.1 | S36 F37 L43 Q44 | S36-T40 WeakPolarHBondContact O-CG2 3.29Å; S36-T40 PolarHBondContact O-N 3Å; S36-T40 PolarHBondContact O-OG1 3.46Å; F37-T40 PolarHBondContact O-OG1 2.86Å; T40-L43 PolarHBondContact O-N 2.6Å; T40-Q44 WeakPolarHBondContact O-CB 3.43Å; T40-Q44 PolarHBondContact O-N 3.34Å |
| 41 | R | 59.2 | Low | 56.3 | Low | 180 Ų | 180 | 111.3 Ų | 111.3 | 68% | 0.679 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.9 | -41.4 | 178.9 | -174.6 | 178.5 | 173.4 | -141.4 | -3.2 | 112.8 | F37 Y38 A45 | F37-R41 WeakPolarHBondContact O-CB 3.42Å; F37-R41 PolarHBondContact O-N 3.3Å; Y38-R41 PolarHBondContact O-N 3.03Å; R41-A45 WeakPolarHBondContact O-CB 3.33Å; R41-A45 PolarHBondContact O-N 3.41Å |
| 42 | T | 61.9 | Low | 57.8 | Low | 77 Ų | 77 | 103.8 Ų | 103.8 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.2 | -42.1 | 177 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | Y38 R39 Q44 A45 L46 | Y38-T42 WeakPolarHBondContact O-CG2 3.1Å; Y38-T42 PolarHBondContact O-N 3.18Å; Y38-T42 PolarHBondContact O-OG1 3.25Å; R39-T42 PolarHBondContact O-OG1 3.24Å; T42-Q44 VanDerWaalsContact C-N 3.3Å; T42-Q44 PolarHBondContact O-N 2.88Å; T42-A45 PolarHBondContact O-N 3.44Å; T42-L46 WeakPolarHBondContact O-CB 3.33Å; T42-L46 VanDerWaalsContact O-CG 3.25Å; T42-L46 WeakPolarHBondContact O-CG 3.32Å; T42-L46 PolarHBondContact O-N 3.28Å |
| 43 | L | 57.1 | Low | 59.8 | Low | 99 Ų | 99 | 102.8 Ų | 102.8 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -36.7 | 173.1 | -74.1 | 173.4 | 0 | 0 | 0 | 112.2 | R39 T40 S47 | R39-L43 HydrophobicContact CG-CD1 4.11Å; R39-L43 WeakPolarHBondContact O-CB 3.46Å; R39-L43 VanDerWaalsContact O-CG 3.3Å; R39-L43 WeakPolarHBondContact O-CG 3.33Å; R39-L43 PolarHBondContact O-N 2.95Å; R39-L43 VanDerWaalsContact O-N 3.14Å; T40-L43 PolarHBondContact O-N 2.6Å; L43-S47 WeakPolarHBondContact O-CB 3.37Å; L43-S47 PolarHBondContact O-N 2.73Å; L43-S47 PolarHBondContact O-OG 2.8Å; L43-S47 VanDerWaalsContact O-OG 3.07Å |
| 44 | Q | 60.9 | Low | 61.6 | Low | 133 Ų | 133 | 103.3 Ų | 103.3 | 62% | 0.621 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.7 | -41 | 175.8 | -170.8 | 173.6 | 14.2 | 0 | 0 | 111.7 | T40 T42 S47 N48 | T40-Q44 WeakPolarHBondContact O-CB 3.43Å; T40-Q44 PolarHBondContact O-N 3.34Å; T42-Q44 VanDerWaalsContact C-N 3.3Å; T42-Q44 PolarHBondContact O-N 2.88Å; Q44-S47 PolarHBondContact O-OG 2.85Å; Q44-S47 VanDerWaalsContact O-OG 3.1Å; Q44-N48 WeakPolarHBondContact O-CB 3.42Å; Q44-N48 PolarHBondContact O-N 2.97Å |
| 45 | A | 57.9 | Low | 63.6 | Low | 59 Ų | 59 | 97.6 Ų | 97.6 | 49% | 0.488 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.5 | -52 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R41 T42 S47 N48 E49 | R41-A45 WeakPolarHBondContact O-CB 3.33Å; R41-A45 PolarHBondContact O-N 3.41Å; T42-A45 PolarHBondContact O-N 3.44Å; A45-S47 VanDerWaalsContact C-N 3.29Å; A45-S47 PolarHBondContact O-N 3.05Å; A45-N48 PolarHBondContact O-N 3.29Å; A45-E49 WeakPolarHBondContact O-CB 3.48Å; A45-E49 PolarHBondContact O-N 2.86Å |
| 46 | L | 58.3 | Low | 65.7 | Low | 93 Ų | 93 | 95.9 Ų | 95.9 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.7 | -33 | 179.4 | -69 | 167.3 | 0 | 0 | 0 | 112.7 | T42 K50 | T42-L46 WeakPolarHBondContact O-CB 3.33Å; T42-L46 VanDerWaalsContact O-CG 3.25Å; T42-L46 WeakPolarHBondContact O-CG 3.32Å; T42-L46 PolarHBondContact O-N 3.28Å; L46-K50 WeakPolarHBondContact O-CB 3.48Å; L46-K50 WeakPolarHBondContact O-CG 3.3Å; L46-K50 PolarHBondContact O-N 3.25Å |
| 47 | S | 57.6 | Low | 67.5 | Low | 68 Ų | 68 | 92.8 Ų | 92.8 | 48% | 0.476 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -76.4 | -33.9 | 172.8 | 73.1 | 0 | 0 | 0 | 0 | 112.3 | L43 Q44 A45 E49 K50 K51 | L43-S47 WeakPolarHBondContact O-CB 3.37Å; L43-S47 PolarHBondContact O-N 2.73Å; L43-S47 PolarHBondContact O-OG 2.8Å; L43-S47 VanDerWaalsContact O-OG 3.07Å; Q44-S47 PolarHBondContact O-OG 2.85Å; Q44-S47 VanDerWaalsContact O-OG 3.1Å; A45-S47 VanDerWaalsContact C-N 3.29Å; A45-S47 PolarHBondContact O-N 3.05Å; S47-E49 VanDerWaalsContact C-N 3.34Å; S47-K50 CarbonylContact O-C 3.51Å; S47-K50 PolarHBondContact O-N 2.83Å; S47-K51 WeakPolarHBondContact O-CA 3.36Å; S47-K51 WeakPolarHBondContact O-CB 3.15Å; S47-K51 PolarHBondContact O-N 2.83Å |
| 48 | N | 57.9 | Low | 69.4 | Low | 94 Ų | 94 | 86 Ų | 86 | 50% | 0.503 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -75.3 | -23.4 | 178.9 | -163.3 | 90.5 | 0 | 0 | 0 | 113 | Q44 A45 K51 | Q44-N48 WeakPolarHBondContact O-CB 3.42Å; Q44-N48 PolarHBondContact O-N 2.97Å; A45-N48 PolarHBondContact O-N 3.29Å; N48-K51 WeakPolarHBondContact OD1-CE 3.28Å; N48-K51 PolarHBondContact OD1-NZ 2.71Å |
| 49 | E | 56 | Low | 71.2 | Confident | 151 Ų | 151 | 80.9 Ų | 80.9 | 71% | 0.706 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -81.7 | -25.7 | 171.9 | -170.2 | 173.3 | -143.8 | 0 | 0 | 112.6 | A45 S47 | A45-E49 WeakPolarHBondContact O-CB 3.48Å; A45-E49 PolarHBondContact O-N 2.86Å; S47-E49 VanDerWaalsContact C-N 3.34Å |
| 50 | K | 59.5 | Low | 73 | Confident | 170 Ų | 170 | 73.1 Ų | 73.1 | 74% | 0.739 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -110.1 | -1.6 | -179 | -64.2 | -172.2 | 177 | -173.6 | 0 | 115.5 | L46 S47 | L46-K50 WeakPolarHBondContact O-CB 3.48Å; L46-K50 WeakPolarHBondContact O-CG 3.3Å; L46-K50 PolarHBondContact O-N 3.25Å; S47-K50 CarbonylContact O-C 3.51Å; S47-K50 PolarHBondContact O-N 2.83Å |
| 51 | K | 70.6 | Confident | 74.3 | Confident | 81 Ų | 81 | 70.2 Ų | 70.2 | 35% | 0.352 | 36% | 0.355 | S | S | . | . | trans | -68 | 142.4 | 179.9 | 60.8 | 179.5 | -179.2 | 177.3 | 0 | 111.6 | S47 N48 K53 E121 | S47-K51 WeakPolarHBondContact O-CA 3.36Å; S47-K51 WeakPolarHBondContact O-CB 3.15Å; S47-K51 PolarHBondContact O-N 2.83Å; N48-K51 WeakPolarHBondContact OD1-CE 3.28Å; N48-K51 PolarHBondContact OD1-NZ 2.71Å; K51-K53 PolarHBondContact O-N 2.61Å; K51-E121 VanDerWaalsContact CE-OE2 3.28Å; K51-E121 WeakPolarHBondContact CE-OE2 3.11Å; K51-E121 IonicContact NZ-OE2 3.03Å; K51-E121 PolarHBondContact NZ-OE2 3.28Å | ||
| 52 | A | 84 | Confident | 75.7 | Confident | 38 Ų | 38 | 62.2 Ų | 62.2 | 31% | 0.314 | 33% | 0.326 | S | S | . | . | trans | -73.1 | 125.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | K54 A71 V72 | A52-K54 PolarHBondContact O-N 3.17Å; A52-A71 HydrophobicContact CB-CB 3.94Å; A52-V72 CarbonylContact C-O 3.6Å; A52-V72 WeakPolarHBondContact CA-O 3.25Å | ||
| 53 | K | 89 | Confident | 76.8 | Confident | 50 Ų | 50 | 66.7 Ų | 66.7 | 22% | 0.217 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 116 | 173 | -57.2 | -176.3 | 176.9 | -177.5 | 0 | 108.6 | K51 V55 V72 M116 D117 L119 | K51-K53 PolarHBondContact O-N 2.61Å; K53-V55 PolarHBondContact O-N 2.86Å; K53-V72 PolarHBondContact N-O 3.32Å; K53-V72 PolarHBondContact O-N 2.8Å; K53-M116 PolarHBondContact NZ-O 2.99Å; K53-D117 PolarHBondContact NZ-O 3.24Å; K53-L119 HydrophobicContact CD-CB 4.22Å; K53-L119 WeakPolarHBondContact CD-O 3.22Å; K53-L119 WeakPolarHBondContact CE-O 3.42Å; K53-L119 PolarHBondContact NZ-O 2.91Å |
| 54 | K | 90.6 | Very high | 78.1 | Confident | 79 Ų | 79 | 70.2 Ų | 70.2 | 34% | 0.343 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 105.5 | 179.1 | -168.4 | -172.9 | -170.4 | -172.3 | 0 | 109.7 | A52 V69 Y70 E121 G122 W146 | A52-K54 PolarHBondContact O-N 3.17Å; K54-V69 HydrophobicContact CD-CG1 4.4Å; K54-V69 HydrophobicContact CG-CG1 3.87Å; K54-Y70 WeakPolarHBondContact CA-O 3.42Å; K54-E121 HydrophobicContact CB-CG 4.34Å; K54-G122 WeakPolarHBondContact O-CA 3.37Å; K54-G122 PolarHBondContact O-N 2.83Å; K54-W146 WeakPolarHBondContact CE-O 3.36Å; K54-W146 HydrophobicContact CG-CZ3 4.35Å; K54-W146 PolarHBondContact NZ-O 2.74Å |
| 55 | V | 92.6 | Very high | 79.4 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 166.3 | -176.6 | -64.5 | 0 | 0 | 0 | 0 | 111.3 | K53 F57 V69 Y70 V72 L119 E120 Y125 W146 | K53-V55 PolarHBondContact O-N 2.86Å; V55-F57 HydrophobicContact CG2-CD2 4.06Å; V55-F57 HydrophobicContact CG2-CE1 4.39Å; V55-F57 HydrophobicContact CG2-CE2 3.36Å; V55-F57 HydrophobicContact CG2-CZ 3.55Å; V55-V69 CarbonylContact O-C 3.56Å; V55-V69 WeakPolarHBondContact O-CA 3.4Å; V55-Y70 PolarHBondContact N-O 3.37Å; V55-Y70 PolarHBondContact O-N 3Å; V55-V72 HydrophobicContact CG2-CG2 3.66Å; V55-L119 HydrophobicContact CG1-CB 4.49Å; V55-E120 VanDerWaalsContact CG1-O 3.32Å; V55-E120 WeakPolarHBondContact CG1-O 3.37Å; V55-Y125 HydrophobicContact CB-CD2 4.14Å; V55-Y125 HydrophobicContact CB-CE2 4.21Å; V55-Y125 HydrophobicContact CG1-CD2 4.25Å; V55-Y125 HydrophobicContact CG1-CE2 3.84Å; V55-W146 VanDerWaalsContact C-CH2 3.49Å; V55-W146 VanDerWaalsContact C-CZ3 3.41Å |
| 56 | R | 92.4 | Very high | 80.8 | Confident | 31 Ų | 31 | 70.1 Ų | 70.1 | 12% | 0.117 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 124.7 | 171 | -178.8 | 179.5 | -77.6 | -85.9 | -3.5 | 111.1 | Y58 K66 G67 I68 E123 S124 Y125 W146 | R56-Y58 HydrophobicContact CB-CE2 4.39Å; R56-Y58 VanDerWaalsContact CD-CZ 3.43Å; R56-Y58 WeakPolarHBondContact CD-OH 3.39Å; R56-Y58 HydrophobicContact CG-CD2 4.28Å; R56-Y58 HydrophobicContact CG-CE2 3.7Å; R56-K66 PolarHBondContact NH1-O 3.23Å; R56-G67 PolarHBondContact NH1-O 3.49Å; R56-I68 CarbonylContact C-O 3.6Å; R56-I68 VanDerWaalsContact CA-O 3.28Å; R56-I68 WeakPolarHBondContact CA-O 3.33Å; R56-I68 WeakPolarHBondContact CG-O 3.14Å; R56-E123 PolarHBondContact N-O 3.23Å; R56-S124 WeakPolarHBondContact O-CA 3.43Å; R56-Y125 PolarHBondContact O-N 2.89Å; R56-W146 HydrophobicContact CB-CD2 4.05Å; R56-W146 HydrophobicContact CB-CE3 4.09Å; R56-W146 HydrophobicContact CB-CH2 3.57Å; R56-W146 HydrophobicContact CB-CZ2 3.47Å; R56-W146 VanDerWaalsContact CB-CZ2 3.47Å; R56-W146 HydrophobicContact CB-CZ3 3.87Å; R56-W146 VanDerWaalsContact N-CH2 3.31Å; R56-W146 VanDerWaalsContact NE-CG 3.27Å |
| 57 | F | 93.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 127.4 | 178.7 | -67.1 | -65.4 | 0 | 0 | 0 | 111.8 | V55 G67 I68 Y70 V72 L83 L87 L91 I104 Y125 C127 | V55-F57 HydrophobicContact CG2-CD2 4.06Å; V55-F57 HydrophobicContact CG2-CE1 4.39Å; V55-F57 HydrophobicContact CG2-CE2 3.36Å; V55-F57 HydrophobicContact CG2-CZ 3.55Å; F57-G67 CarbonylContact O-C 3.55Å; F57-G67 WeakPolarHBondContact O-CA 3.3Å; F57-I68 HydrophobicContact CB-CG2 4.17Å; F57-I68 PolarHBondContact N-O 3.32Å; F57-I68 PolarHBondContact O-N 2.9Å; F57-Y70 HydrophobicContact CD2-CD2 4.46Å; F57-Y70 HydrophobicContact CD2-CG 4.19Å; F57-Y70 HydrophobicContact CE2-CG 4.11Å; F57-V72 HydrophobicContact CE2-CG2 4.23Å; F57-L83 HydrophobicContact CE2-CD1 4.31Å; F57-L83 HydrophobicContact CZ-CD2 4.21Å; F57-L87 HydrophobicContact CB-CD2 4.4Å; F57-L87 HydrophobicContact CD1-CD1 4.2Å; F57-L87 HydrophobicContact CD2-CD1 3.89Å; F57-L87 HydrophobicContact CD2-CD2 3.37Å; F57-L87 HydrophobicContact CD2-CG 4.28Å; F57-L87 HydrophobicContact CE1-CD1 4.09Å; F57-L87 HydrophobicContact CE2-CD1 3.72Å; F57-L87 HydrophobicContact CE2-CD2 3.76Å; F57-L87 HydrophobicContact CE2-CG 4.32Å; F57-L87 HydrophobicContact CG-CD1 4.12Å; F57-L87 HydrophobicContact CG-CD2 3.99Å; F57-L87 HydrophobicContact CZ-CD1 3.84Å; F57-L91 HydrophobicContact CB-CD1 4Å; F57-I104 HydrophobicContact CD1-CG2 4.34Å; F57-I104 HydrophobicContact CE1-CD1 3.86Å; F57-I104 HydrophobicContact CE1-CG1 4.43Å; F57-I104 HydrophobicContact CE1-CG2 3.83Å; F57-I104 HydrophobicContact CZ-CD1 4.21Å; F57-Y125 CarbonylContact C-O 3.45Å; F57-Y125 WeakPolarHBondContact CA-O 3.43Å; F57-Y125 HydrophobicContact CE1-CD2 4.31Å; F57-Y125 HydrophobicContact CE1-CG 4.23Å; F57-C127 VanDerWaalsContact CD1-SG 3.58Å |
| 58 | Y | 92.6 | Very high | 83.9 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 167.6 | 174.4 | -64.2 | -95.7 | 0 | 0 | 0 | 111 | R56 K66 I107 Y125 C127 Y138 V142 | R56-Y58 HydrophobicContact CB-CE2 4.39Å; R56-Y58 VanDerWaalsContact CD-CZ 3.43Å; R56-Y58 WeakPolarHBondContact CD-OH 3.39Å; R56-Y58 HydrophobicContact CG-CD2 4.28Å; R56-Y58 HydrophobicContact CG-CE2 3.7Å; Y58-K66 VanDerWaalsContact CE1-O 3.26Å; Y58-K66 WeakPolarHBondContact CE1-O 3.43Å; Y58-I107 HydrophobicContact CD2-CD1 4.1Å; Y58-I107 HydrophobicContact CE2-CD1 4.16Å; Y58-Y125 PolarHBondContact N-O 3.34Å; Y58-C127 WeakPolarHBondContact O-CB 3.23Å; Y58-C127 PolarHBondContact O-N 3Å; Y58-Y138 HydrophobicContact CD1-CD1 4.21Å; Y58-Y138 HydrophobicContact CD1-CG 4.38Å; Y58-Y138 WeakPolarHBondContact CE1-O 3.49Å; Y58-Y138 HydrophobicContact CG-CD1 4.29Å; Y58-Y138 HydrophobicContact CG-CG 4.35Å; Y58-V142 HydrophobicContact CE1-CG2 4.27Å |
| 59 | R | 91.6 | Very high | 85.5 | Confident | 38 Ų | 38 | 63.8 Ų | 63.8 | 14% | 0.143 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 130.1 | 177.8 | -57.2 | -173.7 | -58.1 | 178.6 | 18.9 | 109.9 | G61 D62 F65 L91 D93 N96 L97 Y138 | R59-G61 PolarHBondContact O-N 3.13Å; R59-D62 HydrophobicContact CB-CB 3.94Å; R59-D62 IonicContact CZ-OD2 2.76Å; R59-D62 VanDerWaalsContact CZ-OD2 3.27Å; R59-D62 IonicContact NE-OD2 2.7Å; R59-D62 PolarHBondContact NE-OD2 3.14Å; R59-D62 IonicContact NH2-OD2 3.76Å; R59-D62 PolarHBondContact NH2-OD2 3.48Å; R59-D62 WeakPolarHBondContact O-CB 3.24Å; R59-D62 PolarHBondContact O-N 3.02Å; R59-D62 VanDerWaalsContact O-N 3.08Å; R59-F65 HydrophobicContact CB-CD1 4.32Å; R59-F65 HydrophobicContact CG-CD1 3.69Å; R59-F65 HydrophobicContact CG-CE1 3.8Å; R59-F65 HydrophobicContact CG-CG 4.33Å; R59-L91 WeakPolarHBondContact CD-O 3.46Å; R59-L91 HydrophobicContact CG-CB 4.29Å; R59-L91 HydrophobicContact CG-CD2 4.07Å; R59-D93 IonicContact CZ-OD2 2.75Å; R59-D93 VanDerWaalsContact NH1-CB 3.32Å; R59-D93 IonicContact NH1-OD2 2.7Å; R59-D93 PolarHBondContact NH1-OD2 2.89Å; R59-D93 IonicContact NH2-OD2 3.27Å; R59-D93 PolarHBondContact NH2-OD2 3.29Å; R59-N96 HydrophobicContact CB-CB 4.42Å; R59-L97 HydrophobicContact CB-CD1 4.22Å; R59-L97 HydrophobicContact CG-CD1 3.95Å; R59-Y138 WeakPolarHBondContact O-CE1 3.31Å |
| 60 | N | 90.8 | Very high | 87.2 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 6% | 0.064 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 128.1 | -177.2 | -175.1 | 17 | 0 | 0 | 0 | 112.2 | D62 N96 V126 C127 S128 F132 K134 | N60-D62 VanDerWaalsContact C-N 3.27Å; N60-D62 PolarHBondContact O-N 3.48Å; N60-N96 PolarHBondContact O-ND2 3Å; N60-V126 HydrophobicContact CB-CG1 4.01Å; N60-C127 VanDerWaalsContact CB-O 3.27Å; N60-C127 WeakPolarHBondContact CB-O 3.33Å; N60-C127 PolarHBondContact N-O 2.92Å; N60-S128 PolarHBondContact ND2-OG 2.86Å; N60-F132 PolarHBondContact ND2-O 2.76Å; N60-K134 WeakPolarHBondContact OD1-CB 3.3Å; N60-K134 PolarHBondContact OD1-N 2.87Å |
| 61 | G | 86.5 | Confident | 88.7 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 21% | 0.206 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | -0.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R59 Y138 | R59-G61 PolarHBondContact O-N 3.13Å; G61-Y138 PolarHBondContact N-OH 3.03Å |
| 62 | D | 88.3 | Confident | 89.7 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.064 | 23% | 0.234 | C | C | . | . | trans | -91.9 | 117.9 | -178.7 | -165.9 | -25.9 | 0 | 0 | 0 | 111.7 | R59 N60 Y64 F65 N96 Y138 | R59-D62 HydrophobicContact CB-CB 3.94Å; R59-D62 IonicContact CZ-OD2 2.76Å; R59-D62 VanDerWaalsContact CZ-OD2 3.27Å; R59-D62 IonicContact NE-OD2 2.7Å; R59-D62 PolarHBondContact NE-OD2 3.14Å; R59-D62 IonicContact NH2-OD2 3.76Å; R59-D62 PolarHBondContact NH2-OD2 3.48Å; R59-D62 WeakPolarHBondContact O-CB 3.24Å; R59-D62 PolarHBondContact O-N 3.02Å; R59-D62 VanDerWaalsContact O-N 3.08Å; N60-D62 VanDerWaalsContact C-N 3.27Å; N60-D62 PolarHBondContact O-N 3.48Å; D62-Y64 PolarHBondContact OD1-N 3.41Å; D62-F65 HydrophobicContact CB-CB 4.22Å; D62-F65 PolarHBondContact OD1-N 2.96Å; D62-F65 WeakPolarHBondContact OD2-CB 3.33Å; D62-N96 PolarHBondContact N-ND2 3.35Å; D62-Y138 WeakPolarHBondContact O-CD1 3.05Å; D62-Y138 WeakPolarHBondContact O-CE1 3.42Å | ||
| 63 | R | 85.5 | Confident | 89.9 | Confident | 172 Ų | 172 | 47.5 Ų | 47.5 | 65% | 0.649 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -93.2 | -10 | 178.7 | 78.5 | -176.3 | 82.7 | 114 | -1.7 | 114.1 | V136 | R63-V136 HydrophobicContact CB-CG1 3.61Š|
| 64 | Y | 84.3 | Confident | 89.7 | Confident | 172 Ų | 172 | 49.5 Ų | 49.5 | 68% | 0.675 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -107.8 | -32.3 | -172.1 | -60.8 | -70.1 | 0 | 0 | 0 | 111.8 | D62 K66 | D62-Y64 PolarHBondContact OD1-N 3.41Å; Y64-K66 PolarHBondContact O-N 2.94Å |
| 65 | F | 87.7 | Confident | 89.4 | Confident | 58 Ų | 58 | 51.2 Ų | 51.2 | 25% | 0.254 | 26% | 0.259 | S | S | . | . | trans | -71.3 | 111.3 | 174.9 | -177.5 | -106.6 | 0 | 0 | 0 | 111.7 | R59 D62 G67 I68 L91 | R59-F65 HydrophobicContact CB-CD1 4.32Å; R59-F65 HydrophobicContact CG-CD1 3.69Å; R59-F65 HydrophobicContact CG-CE1 3.8Å; R59-F65 HydrophobicContact CG-CG 4.33Å; D62-F65 HydrophobicContact CB-CB 4.22Å; D62-F65 PolarHBondContact OD1-N 2.96Å; D62-F65 WeakPolarHBondContact OD2-CB 3.33Å; F65-G67 PolarHBondContact O-N 2.81Å; F65-I68 HydrophobicContact CZ-CB 4.2Å; F65-L91 HydrophobicContact CE1-CD2 3.52Å; F65-L91 HydrophobicContact CE2-CD2 4.49Å; F65-L91 HydrophobicContact CZ-CD2 3.38Å | ||
| 66 | K | 86.8 | Confident | 89 | Confident | 133 Ų | 133 | 57.4 Ų | 57.4 | 58% | 0.578 | 28% | 0.282 | S | S | * | . | trans | -71.1 | 6.8 | -178.2 | -63.2 | -179.7 | -177.8 | 177.2 | 0 | 114.5 | R56 Y58 Y64 V142 | R56-K66 PolarHBondContact NH1-O 3.23Å; Y58-K66 VanDerWaalsContact CE1-O 3.26Å; Y58-K66 WeakPolarHBondContact CE1-O 3.43Å; Y64-K66 PolarHBondContact O-N 2.94Å; K66-V142 HydrophobicContact CB-CG2 3.93Å; K66-V142 HydrophobicContact CG-CG2 4.23Å | ||
| 67 | G | 90.1 | Very high | 88.8 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 13% | 0.134 | 28% | 0.278 | C | S | . | . | trans | 82.6 | 153.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R56 F57 F65 | R56-G67 PolarHBondContact NH1-O 3.49Å; F57-G67 CarbonylContact O-C 3.55Å; F57-G67 WeakPolarHBondContact O-CA 3.3Å; F65-G67 PolarHBondContact O-N 2.81Å | ||
| 68 | I | 91.1 | Very high | 88.4 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 142.6 | 165.9 | -163.3 | 175.7 | 0 | 0 | 0 | 109.9 | R56 F57 F65 S90 L91 | R56-I68 CarbonylContact C-O 3.6Å; R56-I68 VanDerWaalsContact CA-O 3.28Å; R56-I68 WeakPolarHBondContact CA-O 3.33Å; R56-I68 WeakPolarHBondContact CG-O 3.14Å; F57-I68 HydrophobicContact CB-CG2 4.17Å; F57-I68 PolarHBondContact N-O 3.32Å; F57-I68 PolarHBondContact O-N 2.9Å; F65-I68 HydrophobicContact CZ-CB 4.2Å; I68-S90 WeakPolarHBondContact CD1-OG 3.22Å; I68-L91 HydrophobicContact CB-CD2 4.34Å; I68-L91 HydrophobicContact CG2-CD2 3.75Å; I68-L91 HydrophobicContact CG2-CG 4.37Å |
| 69 | V | 91.9 | Very high | 88.3 | Confident | 57 Ų | 57 | 68.6 Ų | 68.6 | 35% | 0.345 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 131.1 | 170.3 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | K54 V55 W146 | K54-V69 HydrophobicContact CD-CG1 4.4Å; K54-V69 HydrophobicContact CG-CG1 3.87Å; V55-V69 CarbonylContact O-C 3.56Å; V55-V69 WeakPolarHBondContact O-CA 3.4Å; V69-W146 HydrophobicContact CB-CE3 4.48Å; V69-W146 HydrophobicContact CG1-CE3 3.92Å; V69-W146 HydrophobicContact CG1-CZ3 4.26Å; V69-W146 HydrophobicContact CG2-CB 4.12Å; V69-W146 HydrophobicContact CG2-CD2 4.24Å; V69-W146 HydrophobicContact CG2-CE3 3.8Å; V69-W146 HydrophobicContact CG2-CG 4.39Å |
| 70 | Y | 92 | Very high | 88.3 | Confident | 23 Ų | 23 | 68.5 Ų | 68.5 | 9% | 0.09 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141.3 | -175.2 | -146.9 | -69.1 | 0 | 0 | 0 | 111.2 | K54 V55 F57 V72 R76 F77 L83 D86 L87 | K54-Y70 WeakPolarHBondContact CA-O 3.42Å; V55-Y70 PolarHBondContact N-O 3.37Å; V55-Y70 PolarHBondContact O-N 3Å; F57-Y70 HydrophobicContact CD2-CD2 4.46Å; F57-Y70 HydrophobicContact CD2-CG 4.19Å; F57-Y70 HydrophobicContact CE2-CG 4.11Å; Y70-V72 HydrophobicContact CD1-CG2 3.72Å; Y70-V72 HydrophobicContact CG-CG2 4.43Å; Y70-R76 PolarHBondContact OH-NH1 2.87Å; Y70-R76 PolarHBondContact OH-NH2 2.8Å; Y70-F77 HydrophobicContact CD1-CE2 4.22Å; Y70-F77 HydrophobicContact CD1-CZ 4.37Å; Y70-F77 AromaticContact CE1-CE2 3.59Å; Y70-F77 HydrophobicContact CE1-CE2 3.59Å; Y70-F77 AromaticContact CE1-CZ 3.46Å; Y70-F77 HydrophobicContact CE1-CZ 3.46Å; Y70-F77 VanDerWaalsContact CE1-CZ 3.46Å; Y70-F77 AromaticContact CZ-CZ 3.81Å; Y70-L83 HydrophobicContact CD1-CD1 4.46Å; Y70-D86 PolarHBondContact OH-OD1 2.91Å; Y70-D86 PolarHBondContact OH-OD2 3.03Å; Y70-L87 HydrophobicContact CD2-CD2 3.55Å; Y70-L87 HydrophobicContact CE2-CD2 3.9Å; Y70-L87 HydrophobicContact CG-CD2 4.2Å |
| 71 | A | 91.6 | Very high | 88.3 | Confident | 54 Ų | 54 | 73.2 Ų | 73.2 | 45% | 0.446 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 113.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | A52 | A52-A71 HydrophobicContact CB-CB 3.94Å |
| 72 | V | 90.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 106.5 | -168.4 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | A52 K53 V55 F57 Y70 F77 L83 M116 L119 | A52-V72 CarbonylContact C-O 3.6Å; A52-V72 WeakPolarHBondContact CA-O 3.25Å; K53-V72 PolarHBondContact N-O 3.32Å; K53-V72 PolarHBondContact O-N 2.8Å; V55-V72 HydrophobicContact CG2-CG2 3.66Å; F57-V72 HydrophobicContact CE2-CG2 4.23Å; Y70-V72 HydrophobicContact CD1-CG2 3.72Å; Y70-V72 HydrophobicContact CG-CG2 4.43Å; V72-F77 HydrophobicContact CG1-CD2 4.11Å; V72-F77 HydrophobicContact CG1-CE2 4.37Å; V72-F77 HydrophobicContact CG2-CE2 4.36Å; V72-L83 HydrophobicContact CG1-CD2 4.14Å; V72-L83 HydrophobicContact CG2-CD1 4.05Å; V72-L83 HydrophobicContact CG2-CD2 4.49Å; V72-M116 HydrophobicContact CG1-CE 3.9Å; V72-M116 HydrophobicContact CG1-CG 3.88Å; V72-M116 HydrophobicContact CG1-SD 3.19Å; V72-M116 WeakPolarHBondContact CG1-SD 3.39Å; V72-L119 HydrophobicContact CG1-CD1 3.91Å |
| 73 | S | 88.7 | Confident | 88.8 | Confident | 20 Ų | 20 | 73.4 Ų | 73.4 | 14% | 0.14 | 36% | 0.361 | C | S | . | . | trans | -121.6 | 153 | 172.3 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | D75 R76 F77 | S73-D75 PolarHBondContact O-N 2.77Å; S73-R76 PolarHBondContact O-N 3.42Å; S73-R76 WeakPolarHBondContact OG-CB 3.35Å; S73-R76 PolarHBondContact OG-N 2.92Å; S73-F77 PolarHBondContact O-N 3.07Å | ||
| 74 | S | 85.4 | Confident | 89.1 | Confident | 92 Ų | 92 | 66 Ų | 66 | 64% | 0.643 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -24.8 | 171 | 46.3 | 0 | 0 | 0 | 0 | 113.2 | F77 | S74-F77 CarbonylContact C-O 3.53Å; S74-F77 CarbonylContact O-C 3.59Å; S74-F77 VanDerWaalsContact O-O 3.07Å |
| 75 | D | 83.4 | Confident | 89.5 | Confident | 115 Ų | 115 | 60 Ų | 60 | 62% | 0.615 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -47.6 | 173.6 | -175.7 | 35.7 | 0 | 0 | 0 | 112 | S73 F77 R78 | S73-D75 PolarHBondContact O-N 2.77Å; D75-F77 VanDerWaalsContact C-N 3.33Å; D75-F77 PolarHBondContact O-N 3.33Å; D75-R78 PolarHBondContact O-NE 2.62Å; D75-R78 PolarHBondContact O-NH2 2.92Å; D75-R78 IonicContact OD1-NH2 2.77Å; D75-R78 PolarHBondContact OD1-NH2 3.07Å |
| 76 | R | 84.4 | Confident | 89.7 | Confident | 130 Ų | 130 | 59.2 Ų | 59.2 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -33.6 | 176.4 | -168.2 | -170.7 | -174.8 | -69.3 | 3.7 | 112 | Y70 S73 D86 | Y70-R76 PolarHBondContact OH-NH1 2.87Å; Y70-R76 PolarHBondContact OH-NH2 2.8Å; S73-R76 PolarHBondContact O-N 3.42Å; S73-R76 WeakPolarHBondContact OG-CB 3.35Å; S73-R76 PolarHBondContact OG-N 2.92Å; R76-D86 IonicContact CZ-OD1 2.62Å; R76-D86 VanDerWaalsContact CZ-OD1 3.3Å; R76-D86 IonicContact NH1-OD1 3.6Å; R76-D86 PolarHBondContact NH1-OD1 3.1Å; R76-D86 IonicContact NH2-OD1 2.99Å; R76-D86 PolarHBondContact NH2-OD1 3.36Å |
| 77 | F | 87.4 | Confident | 89.9 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | trans | -127.7 | 104.8 | -174.6 | -66.1 | -68.4 | 0 | 0 | 0 | 111.3 | Y70 V72 S73 S74 D75 S79 A82 L83 D86 M116 | Y70-F77 HydrophobicContact CD1-CE2 4.22Å; Y70-F77 HydrophobicContact CD1-CZ 4.37Å; Y70-F77 AromaticContact CE1-CE2 3.59Å; Y70-F77 HydrophobicContact CE1-CE2 3.59Å; Y70-F77 AromaticContact CE1-CZ 3.46Å; Y70-F77 HydrophobicContact CE1-CZ 3.46Å; Y70-F77 VanDerWaalsContact CE1-CZ 3.46Å; Y70-F77 AromaticContact CZ-CZ 3.81Å; V72-F77 HydrophobicContact CG1-CD2 4.11Å; V72-F77 HydrophobicContact CG1-CE2 4.37Å; V72-F77 HydrophobicContact CG2-CE2 4.36Å; S73-F77 PolarHBondContact O-N 3.07Å; S74-F77 CarbonylContact C-O 3.53Å; S74-F77 CarbonylContact O-C 3.59Å; S74-F77 VanDerWaalsContact O-O 3.07Å; D75-F77 VanDerWaalsContact C-N 3.33Å; D75-F77 PolarHBondContact O-N 3.33Å; F77-S79 PolarHBondContact O-N 3.33Å; F77-A82 HydrophobicContact CD1-CB 4.15Å; F77-L83 HydrophobicContact CD1-CB 4.02Å; F77-L83 HydrophobicContact CD2-CB 4.47Å; F77-L83 HydrophobicContact CD2-CD1 4.25Å; F77-L83 HydrophobicContact CE1-CB 4.07Å; F77-L83 HydrophobicContact CE1-CD1 4.06Å; F77-L83 HydrophobicContact CE2-CD1 3.6Å; F77-L83 HydrophobicContact CG-CB 4.2Å; F77-L83 HydrophobicContact CZ-CB 4.29Å; F77-L83 HydrophobicContact CZ-CD1 3.45Å; F77-L83 VanDerWaalsContact CZ-CD1 3.45Å; F77-L83 HydrophobicContact CZ-CG 4.49Å; F77-D86 HydrophobicContact CE1-CB 3.77Å; F77-D86 HydrophobicContact CZ-CB 4.22Å; F77-M116 HydrophobicContact CB-CE 3.32Å; F77-M116 HydrophobicContact CD2-CE 4.12Å; F77-M116 HydrophobicContact CG-CE 3.98Å | ||
| 78 | R | 86.1 | Confident | 90 | Very high | 201 Ų | 201 | 54.5 Ų | 54.5 | 76% | 0.758 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -72.7 | -11.5 | -179.9 | -55.7 | -62.6 | 159 | 90.8 | -11.1 | 114.1 | D75 | D75-R78 PolarHBondContact O-NE 2.62Å; D75-R78 PolarHBondContact O-NH2 2.92Å; D75-R78 IonicContact OD1-NH2 2.77Å; D75-R78 PolarHBondContact OD1-NH2 3.07Å |
| 79 | S | 90.2 | Very high | 89.9 | Confident | 58 Ų | 58 | 61.7 Ų | 61.7 | 41% | 0.406 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -151.5 | 164.1 | 173.2 | 69.7 | 0 | 0 | 0 | 0 | 110.8 | F77 D81 A82 | F77-S79 PolarHBondContact O-N 3.33Å; S79-D81 VanDerWaalsContact C-N 3.28Å; S79-D81 PolarHBondContact OG-N 3.16Å; S79-A82 PolarHBondContact O-N 3.5Å; S79-A82 PolarHBondContact OG-N 3.45Å; S79-A82 VanDerWaalsContact OG-N 3.08Å |
| 80 | F | 91.1 | Very high | 89.7 | Confident | 37 Ų | 37 | 61.2 Ų | 61.2 | 16% | 0.162 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.9 | -34.7 | 170.6 | -174.4 | -103.9 | 0 | 0 | 0 | 111.9 | A82 L83 L84 I104 I113 | F80-A82 VanDerWaalsContact C-N 3.33Å; F80-A82 PolarHBondContact O-N 3.42Å; F80-L83 WeakPolarHBondContact O-CA 3.19Å; F80-L83 WeakPolarHBondContact O-CB 3.44Å; F80-L83 PolarHBondContact O-N 3.42Å; F80-L84 HydrophobicContact CD1-CD1 3.98Å; F80-L84 HydrophobicContact CD1-CG 4.14Å; F80-L84 HydrophobicContact CE1-CD1 3.96Å; F80-L84 HydrophobicContact CE1-CD2 3.98Å; F80-L84 HydrophobicContact CE1-CG 4.06Å; F80-L84 HydrophobicContact CZ-CD2 4.37Å; F80-L84 PolarHBondContact O-N 3.3Å; F80-I104 HydrophobicContact CE2-CD1 3.97Å; F80-I104 HydrophobicContact CZ-CB 4.16Å; F80-I104 HydrophobicContact CZ-CD1 3.79Å; F80-I104 HydrophobicContact CZ-CG1 4.18Å; F80-I113 HydrophobicContact CE2-CB 4.42Å; F80-I113 HydrophobicContact CE2-CG2 3.83Å; F80-I113 HydrophobicContact CZ-CB 4.27Å; F80-I113 HydrophobicContact CZ-CG2 4.15Å; F80-I113 WeakPolarHBondContact CZ-O 3.35Å |
| 81 | D | 91.7 | Very high | 89.4 | Confident | 110 Ų | 110 | 60.3 Ų | 60.3 | 59% | 0.588 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.7 | -34.7 | 176.2 | -169.9 | 60 | 0 | 0 | 0 | 112.8 | S79 L83 L84 A85 | S79-D81 VanDerWaalsContact C-N 3.28Å; S79-D81 PolarHBondContact OG-N 3.16Å; D81-L83 VanDerWaalsContact C-N 3.25Å; D81-L83 PolarHBondContact O-N 2.87Å; D81-L84 WeakPolarHBondContact O-CB 3.14Å; D81-L84 PolarHBondContact O-N 3.36Å; D81-L84 VanDerWaalsContact O-N 3.14Å; D81-A85 WeakPolarHBondContact O-CB 3.12Å; D81-A85 PolarHBondContact O-N 2.79Å |
| 82 | A | 92.6 | Very high | 88.7 | Confident | 37 Ų | 37 | 61.6 Ų | 61.6 | 31% | 0.306 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.8 | -31.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F77 S79 F80 D86 | F77-A82 HydrophobicContact CD1-CB 4.15Å; S79-A82 PolarHBondContact O-N 3.5Å; S79-A82 PolarHBondContact OG-N 3.45Å; S79-A82 VanDerWaalsContact OG-N 3.08Å; F80-A82 VanDerWaalsContact C-N 3.33Å; F80-A82 PolarHBondContact O-N 3.42Å; A82-D86 PolarHBondContact O-N 2.96Å |
| 83 | L | 92.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.4 | -43.5 | 171.2 | 172.8 | 68.3 | 0 | 0 | 0 | 111.2 | F57 Y70 V72 F77 F80 D81 A85 D86 L87 I104 M116 L119 | F57-L83 HydrophobicContact CE2-CD1 4.31Å; F57-L83 HydrophobicContact CZ-CD2 4.21Å; Y70-L83 HydrophobicContact CD1-CD1 4.46Å; V72-L83 HydrophobicContact CG1-CD2 4.14Å; V72-L83 HydrophobicContact CG2-CD1 4.05Å; V72-L83 HydrophobicContact CG2-CD2 4.49Å; F77-L83 HydrophobicContact CD1-CB 4.02Å; F77-L83 HydrophobicContact CD2-CB 4.47Å; F77-L83 HydrophobicContact CD2-CD1 4.25Å; F77-L83 HydrophobicContact CE1-CB 4.07Å; F77-L83 HydrophobicContact CE1-CD1 4.06Å; F77-L83 HydrophobicContact CE2-CD1 3.6Å; F77-L83 HydrophobicContact CG-CB 4.2Å; F77-L83 HydrophobicContact CZ-CB 4.29Å; F77-L83 HydrophobicContact CZ-CD1 3.45Å; F77-L83 VanDerWaalsContact CZ-CD1 3.45Å; F77-L83 HydrophobicContact CZ-CG 4.49Å; F80-L83 WeakPolarHBondContact O-CA 3.19Å; F80-L83 WeakPolarHBondContact O-CB 3.44Å; F80-L83 PolarHBondContact O-N 3.42Å; D81-L83 VanDerWaalsContact C-N 3.25Å; D81-L83 PolarHBondContact O-N 2.87Å; L83-A85 VanDerWaalsContact C-N 3.31Å; L83-A85 PolarHBondContact O-N 2.76Å; L83-D86 PolarHBondContact O-N 3.33Å; L83-L87 HydrophobicContact CD1-CD1 3.76Å; L83-L87 HydrophobicContact CD1-CD2 4.42Å; L83-L87 HydrophobicContact CD1-CG 3.84Å; L83-L87 HydrophobicContact CD2-CD1 4.41Å; L83-L87 HydrophobicContact CG-CD1 3.74Å; L83-L87 HydrophobicContact CG-CG 4.23Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 VanDerWaalsContact O-CG 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.49Å; L83-L87 PolarHBondContact O-N 3.35Å; L83-I104 HydrophobicContact CD2-CD1 4.04Å; L83-I104 HydrophobicContact CG-CD1 4.46Å; L83-M116 HydrophobicContact CB-CE 4.2Å; L83-M116 HydrophobicContact CD2-CE 4.37Å; L83-M116 HydrophobicContact CD2-SD 3.79Å; L83-L119 HydrophobicContact CD2-CD1 3.83Å |
| 84 | L | 92.1 | Very high | 87.4 | Confident | 17 Ų | 17 | 69.4 Ų | 69.4 | 9% | 0.089 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.2 | -41.8 | 174.8 | -63.8 | 177.2 | 0 | 0 | 0 | 111.9 | F80 D81 T88 V101 I104 | F80-L84 HydrophobicContact CD1-CD1 3.98Å; F80-L84 HydrophobicContact CD1-CG 4.14Å; F80-L84 HydrophobicContact CE1-CD1 3.96Å; F80-L84 HydrophobicContact CE1-CD2 3.98Å; F80-L84 HydrophobicContact CE1-CG 4.06Å; F80-L84 HydrophobicContact CZ-CD2 4.37Å; F80-L84 PolarHBondContact O-N 3.3Å; D81-L84 WeakPolarHBondContact O-CB 3.14Å; D81-L84 PolarHBondContact O-N 3.36Å; D81-L84 VanDerWaalsContact O-N 3.14Å; L84-T88 VanDerWaalsContact O-CB 3.3Å; L84-T88 WeakPolarHBondContact O-CB 3.46Å; L84-T88 PolarHBondContact O-N 2.87Å; L84-T88 PolarHBondContact O-OG1 3.33Å; L84-V101 HydrophobicContact CD2-CG1 3.89Å; L84-I104 HydrophobicContact CD2-CD1 3.9Å; L84-I104 HydrophobicContact CD2-CG1 3.8Å |
| 85 | A | 91.4 | Very high | 87.1 | Confident | 45 Ų | 45 | 72.2 Ų | 72.2 | 37% | 0.372 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.3 | -37.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D81 L83 R89 | D81-A85 WeakPolarHBondContact O-CB 3.12Å; D81-A85 PolarHBondContact O-N 2.79Å; L83-A85 VanDerWaalsContact C-N 3.31Å; L83-A85 PolarHBondContact O-N 2.76Å; A85-R89 PolarHBondContact O-N 3.43Å |
| 86 | D | 92.4 | Very high | 86.9 | Confident | 41 Ų | 41 | 68.7 Ų | 68.7 | 22% | 0.219 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -72.5 | -45.9 | 175 | -168.3 | 133.6 | 0 | 0 | 0 | 110.9 | Y70 R76 F77 A82 L83 T88 R89 S90 | Y70-D86 PolarHBondContact OH-OD1 2.91Å; Y70-D86 PolarHBondContact OH-OD2 3.03Å; R76-D86 IonicContact CZ-OD1 2.62Å; R76-D86 VanDerWaalsContact CZ-OD1 3.3Å; R76-D86 IonicContact NH1-OD1 3.6Å; R76-D86 PolarHBondContact NH1-OD1 3.1Å; R76-D86 IonicContact NH2-OD1 2.99Å; R76-D86 PolarHBondContact NH2-OD1 3.36Å; F77-D86 HydrophobicContact CE1-CB 3.77Å; F77-D86 HydrophobicContact CZ-CB 4.22Å; A82-D86 PolarHBondContact O-N 2.96Å; L83-D86 PolarHBondContact O-N 3.33Å; D86-T88 PolarHBondContact O-N 3.14Å; D86-R89 WeakPolarHBondContact O-CA 3.44Å; D86-R89 WeakPolarHBondContact O-CB 3.28Å; D86-R89 PolarHBondContact O-N 2.88Å; D86-S90 PolarHBondContact O-N 3Å |
| 87 | L | 92.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.4 | -33.3 | 173.7 | -68.7 | 175 | 0 | 0 | 0 | 112.6 | F57 Y70 L83 R89 S90 L91 V101 I104 | F57-L87 HydrophobicContact CB-CD2 4.4Å; F57-L87 HydrophobicContact CD1-CD1 4.2Å; F57-L87 HydrophobicContact CD2-CD1 3.89Å; F57-L87 HydrophobicContact CD2-CD2 3.37Å; F57-L87 HydrophobicContact CD2-CG 4.28Å; F57-L87 HydrophobicContact CE1-CD1 4.09Å; F57-L87 HydrophobicContact CE2-CD1 3.72Å; F57-L87 HydrophobicContact CE2-CD2 3.76Å; F57-L87 HydrophobicContact CE2-CG 4.32Å; F57-L87 HydrophobicContact CG-CD1 4.12Å; F57-L87 HydrophobicContact CG-CD2 3.99Å; F57-L87 HydrophobicContact CZ-CD1 3.84Å; Y70-L87 HydrophobicContact CD2-CD2 3.55Å; Y70-L87 HydrophobicContact CE2-CD2 3.9Å; Y70-L87 HydrophobicContact CG-CD2 4.2Å; L83-L87 HydrophobicContact CD1-CD1 3.76Å; L83-L87 HydrophobicContact CD1-CD2 4.42Å; L83-L87 HydrophobicContact CD1-CG 3.84Å; L83-L87 HydrophobicContact CD2-CD1 4.41Å; L83-L87 HydrophobicContact CG-CD1 3.74Å; L83-L87 HydrophobicContact CG-CG 4.23Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 VanDerWaalsContact O-CG 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.49Å; L83-L87 PolarHBondContact O-N 3.35Å; L87-R89 VanDerWaalsContact C-N 3.3Å; L87-R89 PolarHBondContact O-N 3.37Å; L87-S90 PolarHBondContact O-N 3.08Å; L87-L91 HydrophobicContact CB-CD1 4.44Å; L87-L91 HydrophobicContact CD2-CD1 4.32Å; L87-L91 VanDerWaalsContact O-CB 3.27Å; L87-L91 WeakPolarHBondContact O-CB 3.35Å; L87-L91 PolarHBondContact O-N 3.48Å; L87-V101 HydrophobicContact CB-CB 4.17Å; L87-V101 HydrophobicContact CB-CG1 4.19Å; L87-V101 HydrophobicContact CB-CG2 4.06Å; L87-I104 HydrophobicContact CD1-CD1 3.76Å; L87-I104 HydrophobicContact CD1-CG1 4.49Å |
| 88 | T | 90.8 | Very high | 86.6 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 29% | 0.288 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.7 | -39.8 | 172 | -68.5 | 0 | 0 | 0 | 0 | 112 | L84 D86 S92 V101 | L84-T88 VanDerWaalsContact O-CB 3.3Å; L84-T88 WeakPolarHBondContact O-CB 3.46Å; L84-T88 PolarHBondContact O-N 2.87Å; L84-T88 PolarHBondContact O-OG1 3.33Å; D86-T88 PolarHBondContact O-N 3.14Å; T88-S92 WeakPolarHBondContact O-CA 3.18Å; T88-S92 VanDerWaalsContact O-CB 3.31Å; T88-S92 WeakPolarHBondContact O-CB 3.34Å; T88-S92 PolarHBondContact O-N 3.03Å; T88-V101 PolarHBondContact OG1-N 3.07Å; T88-V101 PolarHBondContact OG1-O 2.88Å |
| 89 | R | 89.1 | Confident | 86.5 | Confident | 203 Ų | 203 | 63.2 Ų | 63.2 | 77% | 0.766 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -74.6 | -32.9 | 175.4 | -60.4 | 172.8 | -164.1 | -80.5 | -0.9 | 112.3 | A85 D86 L87 S92 | A85-R89 PolarHBondContact O-N 3.43Å; D86-R89 WeakPolarHBondContact O-CA 3.44Å; D86-R89 WeakPolarHBondContact O-CB 3.28Å; D86-R89 PolarHBondContact O-N 2.88Å; L87-R89 VanDerWaalsContact C-N 3.3Å; L87-R89 PolarHBondContact O-N 3.37Å; R89-S92 PolarHBondContact O-OG 3.05Å |
| 90 | S | 88.6 | Confident | 86.3 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 34% | 0.336 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -88.8 | -16.6 | -175 | -171.8 | 0 | 0 | 0 | 0 | 114.9 | I68 D86 L87 | I68-S90 WeakPolarHBondContact CD1-OG 3.22Å; D86-S90 PolarHBondContact O-N 3Å; L87-S90 PolarHBondContact O-N 3.08Å |
| 91 | L | 84.9 | Confident | 86.4 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -121.1 | 6.2 | -180 | -64 | 174.4 | 0 | 0 | 0 | 112.7 | F57 R59 F65 I68 L87 D93 L97 V101 C127 | F57-L91 HydrophobicContact CB-CD1 4Å; R59-L91 WeakPolarHBondContact CD-O 3.46Å; R59-L91 HydrophobicContact CG-CB 4.29Å; R59-L91 HydrophobicContact CG-CD2 4.07Å; F65-L91 HydrophobicContact CE1-CD2 3.52Å; F65-L91 HydrophobicContact CE2-CD2 4.49Å; F65-L91 HydrophobicContact CZ-CD2 3.38Å; I68-L91 HydrophobicContact CB-CD2 4.34Å; I68-L91 HydrophobicContact CG2-CD2 3.75Å; I68-L91 HydrophobicContact CG2-CG 4.37Å; L87-L91 HydrophobicContact CB-CD1 4.44Å; L87-L91 HydrophobicContact CD2-CD1 4.32Å; L87-L91 VanDerWaalsContact O-CB 3.27Å; L87-L91 WeakPolarHBondContact O-CB 3.35Å; L87-L91 PolarHBondContact O-N 3.48Å; L91-D93 PolarHBondContact O-N 2.84Å; L91-D93 VanDerWaalsContact O-N 3.13Å; L91-L97 HydrophobicContact CB-CD1 3.91Å; L91-V101 HydrophobicContact CB-CG2 4.25Å; L91-V101 HydrophobicContact CD1-CG2 4.19Å; L91-C127 HydrophobicContact CD1-CB 3.81Å; L91-C127 VanDerWaalsContact CD1-SG 3.58Å |
| 92 | S | 77.8 | Confident | 86.4 | Confident | 81 Ų | 81 | 60.2 Ų | 60.2 | 57% | 0.566 | 32% | 0.322 | S | S | * | . | trans | -45.8 | 114.7 | -176.9 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | T88 R89 | T88-S92 WeakPolarHBondContact O-CA 3.18Å; T88-S92 VanDerWaalsContact O-CB 3.31Å; T88-S92 WeakPolarHBondContact O-CB 3.34Å; T88-S92 PolarHBondContact O-N 3.03Å; R89-S92 PolarHBondContact O-OG 3.05Å | ||
| 93 | D | 78.4 | Confident | 86.3 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | trans | -149.5 | 113.9 | 178.3 | -166.3 | -60.7 | 0 | 0 | 0 | 108.7 | R59 L91 I95 N96 L97 | R59-D93 IonicContact CZ-OD2 2.75Å; R59-D93 VanDerWaalsContact NH1-CB 3.32Å; R59-D93 IonicContact NH1-OD2 2.7Å; R59-D93 PolarHBondContact NH1-OD2 2.89Å; R59-D93 IonicContact NH2-OD2 3.27Å; R59-D93 PolarHBondContact NH2-OD2 3.29Å; L91-D93 PolarHBondContact O-N 2.84Å; L91-D93 VanDerWaalsContact O-N 3.13Å; D93-I95 PolarHBondContact O-N 2.83Å; D93-I95 VanDerWaalsContact O-N 3.15Å; D93-I95 WeakPolarHBondContact OD1-CA 3.44Å; D93-I95 VanDerWaalsContact OD1-CB 3.32Å; D93-I95 WeakPolarHBondContact OD1-CB 3.32Å; D93-I95 PolarHBondContact OD1-N 3.42Å; D93-N96 HydrophobicContact CB-CB 4.35Å; D93-N96 PolarHBondContact OD1-N 2.85Å; D93-N96 VanDerWaalsContact OD1-N 3.1Å; D93-L97 CarbonylContact O-C 3.42Å; D93-L97 VanDerWaalsContact O-CA 3.24Å; D93-L97 WeakPolarHBondContact O-CA 3.19Å; D93-L97 PolarHBondContact O-N 2.92Å | ||
| 94 | N | 73.3 | Confident | 86.4 | Confident | 151 Ų | 151 | 61.6 Ų | 61.6 | 81% | 0.807 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -11.4 | -175.2 | -59.1 | -59.4 | 0 | 0 | 0 | 113.1 | ||
| 95 | I | 79.4 | Confident | 86.4 | Confident | 152 Ų | 152 | 61.8 Ų | 61.8 | 78% | 0.779 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -50.2 | 178.2 | -52.2 | 175.3 | 0 | 0 | 0 | 110.2 | D93 | D93-I95 PolarHBondContact O-N 2.83Å; D93-I95 VanDerWaalsContact O-N 3.15Å; D93-I95 WeakPolarHBondContact OD1-CA 3.44Å; D93-I95 VanDerWaalsContact OD1-CB 3.32Å; D93-I95 WeakPolarHBondContact OD1-CB 3.32Å; D93-I95 PolarHBondContact OD1-N 3.42Å |
| 96 | N | 78.9 | Confident | 86.5 | Confident | 41 Ų | 41 | 60.3 Ų | 60.3 | 22% | 0.219 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -25.4 | -176.1 | -81.7 | 95.8 | 0 | 0 | 0 | 114.2 | R59 N60 D62 D93 | R59-N96 HydrophobicContact CB-CB 4.42Å; N60-N96 PolarHBondContact O-ND2 3Å; D62-N96 PolarHBondContact N-ND2 3.35Å; D93-N96 HydrophobicContact CB-CB 4.35Å; D93-N96 PolarHBondContact OD1-N 2.85Å; D93-N96 VanDerWaalsContact OD1-N 3.1Å |
| 97 | L | 84.1 | Confident | 86.3 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | trans | -139.1 | 61.4 | -174 | -68 | 173.6 | 0 | 0 | 0 | 111.7 | R59 L91 D93 Q99 G100 V101 S129 | R59-L97 HydrophobicContact CB-CD1 4.22Å; R59-L97 HydrophobicContact CG-CD1 3.95Å; L91-L97 HydrophobicContact CB-CD1 3.91Å; D93-L97 CarbonylContact O-C 3.42Å; D93-L97 VanDerWaalsContact O-CA 3.24Å; D93-L97 WeakPolarHBondContact O-CA 3.19Å; D93-L97 PolarHBondContact O-N 2.92Å; L97-Q99 PolarHBondContact O-N 3.08Å; L97-Q99 VanDerWaalsContact O-N 3.11Å; L97-G100 PolarHBondContact O-N 3.34Å; L97-V101 HydrophobicContact CD1-CG2 3.93Å; L97-S129 WeakPolarHBondContact CA-OG 3.11Å; L97-S129 PolarHBondContact O-OG 2.82Å | ||
| 98 | P | 80.7 | Confident | 85.9 | Confident | 91 Ų | 91 | 64.1 Ų | 64.1 | 59% | 0.591 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -16.1 | -173.9 | 27.4 | -36.9 | 0 | 0 | 0 | 115.2 | ||
| 99 | Q | 83.9 | Confident | 85.7 | Confident | 128 Ų | 128 | 62.7 Ų | 62.7 | 60% | 0.598 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 18.7 | 171.5 | -50.9 | -177.4 | 22.5 | 0 | 0 | 112.3 | L97 R102 S129 | L97-Q99 PolarHBondContact O-N 3.08Å; L97-Q99 VanDerWaalsContact O-N 3.11Å; Q99-R102 HydrophobicContact CB-CG 4.41Å; Q99-S129 PolarHBondContact N-OG 3.24Å |
| 100 | G | 87.6 | Confident | 85.5 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 9% | 0.093 | 32% | 0.317 | C | S | . | . | trans | 70.7 | -155.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113 | L97 S129 | L97-G100 PolarHBondContact O-N 3.34Å; G100-S129 PolarHBondContact N-OG 2.9Å; G100-S129 VanDerWaalsContact O-CA 3.22Å; G100-S129 WeakPolarHBondContact O-CA 3.26Å; G100-S129 WeakPolarHBondContact O-CB 3.26Å; G100-S129 PolarHBondContact O-N 2.85Å; G100-S129 PolarHBondContact O-OG 3.47Å | ||
| 101 | V | 92.1 | Very high | 85.5 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.03 | 33% | 0.325 | C | S | . | . | trans | -95.8 | 103.8 | 178.5 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | L84 L87 T88 L91 L97 I104 C127 | L84-V101 HydrophobicContact CD2-CG1 3.89Å; L87-V101 HydrophobicContact CB-CB 4.17Å; L87-V101 HydrophobicContact CB-CG1 4.19Å; L87-V101 HydrophobicContact CB-CG2 4.06Å; T88-V101 PolarHBondContact OG1-N 3.07Å; T88-V101 PolarHBondContact OG1-O 2.88Å; L91-V101 HydrophobicContact CB-CG2 4.25Å; L91-V101 HydrophobicContact CD1-CG2 4.19Å; L97-V101 HydrophobicContact CD1-CG2 3.93Å; V101-I104 HydrophobicContact CG1-CG1 4.35Å; V101-C127 HydrophobicContact CB-CB 4.32Å; V101-C127 HydrophobicContact CG1-CB 3.64Å; V101-C127 HydrophobicContact CG2-CB 3.73Å | ||
| 102 | R | 91.3 | Very high | 85.9 | Confident | 129 Ų | 129 | 67.4 Ų | 67.4 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | trans | -98.9 | -28.7 | 175.6 | -61.7 | -156.5 | 65.1 | 75.8 | 10.2 | 113.2 | Q99 S128 S129 | Q99-R102 HydrophobicContact CB-CG 4.41Å; R102-S128 PolarHBondContact N-O 3.16Å; R102-S129 WeakPolarHBondContact CB-O 3.46Å; R102-S129 WeakPolarHBondContact CD-O 3.33Å; R102-S129 WeakPolarHBondContact CG-O 3.45Å | ||
| 103 | Y | 91.6 | Very high | 86.6 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 26% | 0.259 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 145.9 | -176.6 | -54.7 | -68.8 | 0 | 0 | 0 | 110.8 | Y105 C127 S128 N131 | Y103-Y105 HydrophobicContact CG-CE2 4.49Å; Y103-C127 WeakPolarHBondContact O-CA 3.49Å; Y103-S128 PolarHBondContact N-O 2.62Å; Y103-S128 PolarHBondContact O-N 3.4Å; Y103-N131 WeakPolarHBondContact CE2-ND2 3.46Å |
| 104 | I | 93.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127 | 172.6 | -61.8 | 175 | 0 | 0 | 0 | 107.1 | F57 F80 L83 L84 L87 V101 K112 I113 Y125 | F57-I104 HydrophobicContact CD1-CG2 4.34Å; F57-I104 HydrophobicContact CE1-CD1 3.86Å; F57-I104 HydrophobicContact CE1-CG1 4.43Å; F57-I104 HydrophobicContact CE1-CG2 3.83Å; F57-I104 HydrophobicContact CZ-CD1 4.21Å; F80-I104 HydrophobicContact CE2-CD1 3.97Å; F80-I104 HydrophobicContact CZ-CB 4.16Å; F80-I104 HydrophobicContact CZ-CD1 3.79Å; F80-I104 HydrophobicContact CZ-CG1 4.18Å; L83-I104 HydrophobicContact CD2-CD1 4.04Å; L83-I104 HydrophobicContact CG-CD1 4.46Å; L84-I104 HydrophobicContact CD2-CD1 3.9Å; L84-I104 HydrophobicContact CD2-CG1 3.8Å; L87-I104 HydrophobicContact CD1-CD1 3.76Å; L87-I104 HydrophobicContact CD1-CG1 4.49Å; V101-I104 HydrophobicContact CG1-CG1 4.35Å; I104-K112 CarbonylContact O-C 3.53Å; I104-K112 WeakPolarHBondContact O-CA 3.48Å; I104-I113 HydrophobicContact CB-CB 4.34Å; I104-I113 HydrophobicContact CG2-CB 4.26Å; I104-I113 HydrophobicContact CG2-CG1 4.08Å; I104-I113 PolarHBondContact O-N 3.38Å; I104-Y125 HydrophobicContact CG2-CD1 4.16Å; I104-Y125 HydrophobicContact CG2-CG 4.17Å |
| 105 | Y | 92.8 | Very high | 88 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 8% | 0.078 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 154.5 | 175.8 | -71.8 | -94.7 | 0 | 0 | 0 | 110.8 | Y103 R111 K112 Y125 V126 N131 F133 | Y103-Y105 HydrophobicContact CG-CE2 4.49Å; Y105-R111 WeakPolarHBondContact CA-O 3.06Å; Y105-K112 HydrophobicContact CD1-CB 4.11Å; Y105-K112 HydrophobicContact CE1-CB 3.86Å; Y105-Y125 CarbonylContact O-C 3.54Å; Y105-Y125 VanDerWaalsContact O-CA 3.26Å; Y105-Y125 WeakPolarHBondContact O-CA 3.28Å; Y105-Y125 WeakPolarHBondContact O-CB 3.18Å; Y105-V126 PolarHBondContact N-O 3.37Å; Y105-V126 PolarHBondContact O-N 3.39Å; Y105-N131 WeakPolarHBondContact OH-CA 3.47Å; Y105-N131 PolarHBondContact OH-O 2.89Å; Y105-F133 HydrophobicContact CG-CD2 4.19Å |
| 106 | T | 92.6 | Very high | 88.4 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 9% | 0.086 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 155.4 | 161.5 | 48.5 | 0 | 0 | 0 | 0 | 111.2 | D108 G109 S110 R111 I113 | T106-D108 PolarHBondContact O-N 3.03Å; T106-G109 PolarHBondContact O-N 2.97Å; T106-S110 PolarHBondContact OG1-N 2.89Å; T106-R111 HydrophobicContact CG2-CG 3.58Å; T106-R111 PolarHBondContact N-O 2.69Å; T106-R111 PolarHBondContact OG1-N 2.95Å; T106-R111 PolarHBondContact OG1-O 3.48Å; T106-I113 HydrophobicContact CG2-CD1 4.09Å |
| 107 | I | 88.6 | Confident | 88.8 | Confident | 37 Ų | 37 | 57.7 Ų | 57.7 | 19% | 0.19 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -33.1 | 178.8 | -163 | 59.9 | 0 | 0 | 0 | 114.5 | Y58 S124 V126 Y138 T139 | Y58-I107 HydrophobicContact CD2-CD1 4.1Å; Y58-I107 HydrophobicContact CE2-CD1 4.16Å; I107-S124 WeakPolarHBondContact CB-O 3.48Å; I107-S124 PolarHBondContact N-O 2.87Å; I107-V126 HydrophobicContact CD1-CG2 4.01Å; I107-Y138 HydrophobicContact CD1-CD2 4.01Å; I107-Y138 HydrophobicContact CD1-CG 4.25Å; I107-T139 HydrophobicContact CD1-CG2 4.33Å; I107-T139 HydrophobicContact CG1-CG2 4.32Å |
| 108 | D | 84.6 | Confident | 89.1 | Confident | 85 Ų | 85 | 60.8 Ų | 60.8 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -7.3 | 177.8 | -75.7 | -68.2 | 0 | 0 | 0 | 115.6 | T106 S110 K135 | T106-D108 PolarHBondContact O-N 3.03Å; D108-S110 WeakPolarHBondContact CB-OG 3.41Å; D108-S110 PolarHBondContact O-N 3.04Å; D108-K135 IonicContact OD1-NZ 2.63Å; D108-K135 PolarHBondContact OD1-NZ 3.11Å |
| 109 | G | 86 | Confident | 89.5 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 18% | 0.175 | 29% | 0.293 | C | S | . | . | S | Bend | trans | 77.3 | -7.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T106 R111 F133 | T106-G109 PolarHBondContact O-N 2.97Å; G109-R111 VanDerWaalsContact C-N 3.3Å; G109-R111 PolarHBondContact O-N 2.99Å; G109-F133 VanDerWaalsContact CA-CE1 3.48Å; G109-F133 VanDerWaalsContact CA-CZ 3.46Å; G109-F133 VanDerWaalsContact N-CZ 3.32Å |
| 110 | S | 84.9 | Confident | 89.8 | Confident | 100 Ų | 100 | 55.1 Ų | 55.1 | 70% | 0.699 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -60.7 | -29.5 | -169.1 | -47.9 | 0 | 0 | 0 | 0 | 115.5 | T106 D108 | T106-S110 PolarHBondContact OG1-N 2.89Å; D108-S110 WeakPolarHBondContact CB-OG 3.41Å; D108-S110 PolarHBondContact O-N 3.04Å |
| 111 | R | 89.6 | Confident | 89.7 | Confident | 133 Ų | 133 | 57.2 Ų | 57.2 | 50% | 0.502 | 29% | 0.294 | S | S | . | . | trans | -144.4 | 150.2 | 172.1 | 64.8 | -177.6 | -176 | -87.2 | 3.3 | 111.6 | Y105 T106 G109 | Y105-R111 WeakPolarHBondContact CA-O 3.06Å; T106-R111 HydrophobicContact CG2-CG 3.58Å; T106-R111 PolarHBondContact N-O 2.69Å; T106-R111 PolarHBondContact OG1-N 2.95Å; T106-R111 PolarHBondContact OG1-O 3.48Å; G109-R111 VanDerWaalsContact C-N 3.3Å; G109-R111 PolarHBondContact O-N 2.99Å | ||
| 112 | K | 92.6 | Very high | 89.5 | Confident | 120 Ų | 120 | 57.4 Ų | 57.4 | 52% | 0.522 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 144.5 | 162.2 | 65.7 | -178.1 | 178.6 | -176.5 | 0 | 109.6 | I104 Y105 | I104-K112 CarbonylContact O-C 3.53Å; I104-K112 WeakPolarHBondContact O-CA 3.48Å; Y105-K112 HydrophobicContact CD1-CB 4.11Å; Y105-K112 HydrophobicContact CE1-CB 3.86Å |
| 113 | I | 93.3 | Very high | 89.4 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 131.3 | 174.2 | -54.5 | -56.4 | 0 | 0 | 0 | 108.1 | F80 I104 T106 S115 E118 L119 Y125 | F80-I113 HydrophobicContact CE2-CB 4.42Å; F80-I113 HydrophobicContact CE2-CG2 3.83Å; F80-I113 HydrophobicContact CZ-CB 4.27Å; F80-I113 HydrophobicContact CZ-CG2 4.15Å; F80-I113 WeakPolarHBondContact CZ-O 3.35Å; I104-I113 HydrophobicContact CB-CB 4.34Å; I104-I113 HydrophobicContact CG2-CB 4.26Å; I104-I113 HydrophobicContact CG2-CG1 4.08Å; I104-I113 PolarHBondContact O-N 3.38Å; T106-I113 HydrophobicContact CG2-CD1 4.09Å; I113-S115 VanDerWaalsContact CG2-O 3.28Å; I113-S115 WeakPolarHBondContact CG2-O 3.32Å; I113-E118 HydrophobicContact CD1-CB 4.27Å; I113-E118 HydrophobicContact CG2-CB 3.81Å; I113-L119 HydrophobicContact CG1-CD2 4.45Å; I113-L119 HydrophobicContact CG2-CD2 3.99Å; I113-L119 HydrophobicContact CG2-CG 4.23Å; I113-Y125 HydrophobicContact CD1-CD1 4.24Å; I113-Y125 HydrophobicContact CD1-CE1 3.8Å; I113-Y125 HydrophobicContact CG1-CD1 3.83Å; I113-Y125 HydrophobicContact CG1-CE1 3.84Å |
| 114 | G | 89.6 | Confident | 89.4 | Confident | 52 Ų | 52 | 51.7 Ų | 51.7 | 54% | 0.536 | 28% | 0.28 | S | S | . | . | trans | -107.6 | -22.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E118 | G114-E118 PolarHBondContact N-OE1 3.29Å; G114-E118 PolarHBondContact N-OE2 3.06Å | ||
| 115 | S | 90.1 | Very high | 89.4 | Confident | 37 Ų | 37 | 52 Ų | 52 | 26% | 0.259 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -129.9 | 166.4 | -171.3 | 67.2 | 0 | 0 | 0 | 0 | 113 | I113 D117 E118 | I113-S115 VanDerWaalsContact CG2-O 3.28Å; I113-S115 WeakPolarHBondContact CG2-O 3.32Å; S115-D117 VanDerWaalsContact C-N 3.27Å; S115-E118 WeakPolarHBondContact CB-OE1 3.27Å; S115-E118 PolarHBondContact N-OE1 2.92Å; S115-E118 VanDerWaalsContact OG-CG 3.29Å; S115-E118 WeakPolarHBondContact OG-CG 3.32Å; S115-E118 PolarHBondContact OG-N 3.49Å; S115-E118 PolarHBondContact OG-OE1 3.04Å |
| 116 | M | 88.1 | Confident | 89.4 | Confident | 24 Ų | 24 | 51 Ų | 51 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -74.6 | -21.8 | 173.1 | -148.2 | 69.2 | 95.7 | 0 | 0 | 112.6 | K53 V72 F77 L83 L119 | K53-M116 PolarHBondContact NZ-O 2.99Å; V72-M116 HydrophobicContact CG1-CE 3.9Å; V72-M116 HydrophobicContact CG1-CG 3.88Å; V72-M116 HydrophobicContact CG1-SD 3.19Å; V72-M116 WeakPolarHBondContact CG1-SD 3.39Å; F77-M116 HydrophobicContact CB-CE 3.32Å; F77-M116 HydrophobicContact CD2-CE 4.12Å; F77-M116 HydrophobicContact CG-CE 3.98Å; L83-M116 HydrophobicContact CB-CE 4.2Å; L83-M116 HydrophobicContact CD2-CE 4.37Å; L83-M116 HydrophobicContact CD2-SD 3.79Å; M116-L119 PolarHBondContact O-N 3.1Å; M116-L119 HydrophobicContact SD-CD1 3.78Å |
| 117 | D | 87.6 | Confident | 89.5 | Confident | 135 Ų | 135 | 50.4 Ų | 50.4 | 72% | 0.722 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -37.3 | -173.7 | -64.2 | -78.8 | 0 | 0 | 0 | 111.9 | K53 S115 L119 | K53-D117 PolarHBondContact NZ-O 3.24Å; S115-D117 VanDerWaalsContact C-N 3.27Å; D117-L119 PolarHBondContact O-N 3.18Å |
| 118 | E | 90.2 | Very high | 89.6 | Confident | 68 Ų | 68 | 48.8 Ų | 48.8 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.8 | 169.7 | -75.2 | 167.7 | -90.9 | 0 | 0 | 115.1 | I113 G114 S115 Y125 | I113-E118 HydrophobicContact CD1-CB 4.27Å; I113-E118 HydrophobicContact CG2-CB 3.81Å; G114-E118 PolarHBondContact N-OE1 3.29Å; G114-E118 PolarHBondContact N-OE2 3.06Å; S115-E118 WeakPolarHBondContact CB-OE1 3.27Å; S115-E118 PolarHBondContact N-OE1 2.92Å; S115-E118 VanDerWaalsContact OG-CG 3.29Å; S115-E118 WeakPolarHBondContact OG-CG 3.32Å; S115-E118 PolarHBondContact OG-N 3.49Å; S115-E118 PolarHBondContact OG-OE1 3.04Å; E118-Y125 PolarHBondContact O-OH 3.22Å |
| 119 | L | 90.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | trans | -73.7 | 132.4 | 171 | -63.8 | 175.4 | 0 | 0 | 0 | 109.3 | K53 V55 V72 L83 I113 M116 D117 Y125 | K53-L119 HydrophobicContact CD-CB 4.22Å; K53-L119 WeakPolarHBondContact CD-O 3.22Å; K53-L119 WeakPolarHBondContact CE-O 3.42Å; K53-L119 PolarHBondContact NZ-O 2.91Å; V55-L119 HydrophobicContact CG1-CB 4.49Å; V72-L119 HydrophobicContact CG1-CD1 3.91Å; L83-L119 HydrophobicContact CD2-CD1 3.83Å; I113-L119 HydrophobicContact CG1-CD2 4.45Å; I113-L119 HydrophobicContact CG2-CD2 3.99Å; I113-L119 HydrophobicContact CG2-CG 4.23Å; M116-L119 PolarHBondContact O-N 3.1Å; M116-L119 HydrophobicContact SD-CD1 3.78Å; D117-L119 PolarHBondContact O-N 3.18Å; L119-Y125 WeakPolarHBondContact CA-OH 3.36Å; L119-Y125 HydrophobicContact CD2-CD1 4.03Å; L119-Y125 HydrophobicContact CD2-CD2 3.96Å; L119-Y125 HydrophobicContact CD2-CE1 3.8Å; L119-Y125 HydrophobicContact CD2-CE2 3.72Å; L119-Y125 HydrophobicContact CD2-CG 4.12Å | ||
| 120 | E | 88.6 | Confident | 89.7 | Confident | 99 Ų | 99 | 48.2 Ų | 48.2 | 46% | 0.463 | 26% | 0.259 | S | S | . | . | trans | -110.7 | 147.4 | 179 | -83.2 | -175.4 | -132.4 | 0 | 0 | 111.1 | V55 G122 E123 Y125 K151 | V55-E120 VanDerWaalsContact CG1-O 3.32Å; V55-E120 WeakPolarHBondContact CG1-O 3.37Å; E120-G122 PolarHBondContact O-N 2.9Å; E120-E123 HydrophobicContact CB-CB 4.03Å; E120-E123 HydrophobicContact CB-CG 3.56Å; E120-E123 PolarHBondContact O-N 2.75Å; E120-Y125 PolarHBondContact N-OH 3.4Å; E120-K151 IonicContact OE2-NZ 2.6Å | ||
| 121 | E | 87.3 | Confident | 89.4 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 25% | 0.248 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 133.7 | 176.5 | -151.1 | -170.2 | 157 | 0 | 0 | 110.8 | K51 K54 E123 V150 | K51-E121 VanDerWaalsContact CE-OE2 3.28Å; K51-E121 WeakPolarHBondContact CE-OE2 3.11Å; K51-E121 IonicContact NZ-OE2 3.03Å; K51-E121 PolarHBondContact NZ-OE2 3.28Å; K54-E121 HydrophobicContact CB-CG 4.34Å; E121-E123 VanDerWaalsContact C-N 3.27Å; E121-E123 PolarHBondContact O-N 3.43Å; E121-V150 HydrophobicContact CB-CG1 4.24Å; E121-V150 HydrophobicContact CB-CG2 3.96Å; E121-V150 HydrophobicContact CG-CG2 3.63Å; E121-V150 WeakPolarHBondContact O-CG1 3.13Å |
| 122 | G | 86.4 | Confident | 89 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 9% | 0.093 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 1.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K54 E120 W146 | K54-G122 WeakPolarHBondContact O-CA 3.37Å; K54-G122 PolarHBondContact O-N 2.83Å; E120-G122 PolarHBondContact O-N 2.9Å; G122-W146 VanDerWaalsContact C-CH2 3.43Å; G122-W146 WeakPolarHBondContact O-CH2 3.45Å; G122-W146 WeakPolarHBondContact O-CZ2 3.39Å |
| 123 | E | 90 | Very high | 88.6 | Confident | 61 Ų | 61 | 43.5 Ų | 43.5 | 29% | 0.285 | 23% | 0.234 | S | C | . | . | trans | -86.3 | 158.1 | -179.4 | -77.3 | -52.5 | 137.8 | 0 | 0 | 115 | R56 E120 E121 Y125 W146 K151 | R56-E123 PolarHBondContact N-O 3.23Å; E120-E123 HydrophobicContact CB-CB 4.03Å; E120-E123 HydrophobicContact CB-CG 3.56Å; E120-E123 PolarHBondContact O-N 2.75Å; E121-E123 VanDerWaalsContact C-N 3.27Å; E121-E123 PolarHBondContact O-N 3.43Å; E123-Y125 HydrophobicContact CB-CD2 4.49Å; E123-Y125 HydrophobicContact CB-CE2 3.56Å; E123-W146 WeakPolarHBondContact O-CH2 3.25Å; E123-K151 WeakPolarHBondContact OE1-CE 3.32Å; E123-K151 IonicContact OE1-NZ 2.85Å; E123-K151 PolarHBondContact OE1-NZ 2.59Å | ||
| 124 | S | 92.2 | Very high | 88.3 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 11% | 0.105 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 135.3 | -178.3 | -66.7 | 0 | 0 | 0 | 0 | 111.8 | R56 I107 | R56-S124 WeakPolarHBondContact O-CA 3.43Å; I107-S124 WeakPolarHBondContact CB-O 3.48Å; I107-S124 PolarHBondContact N-O 2.87Å |
| 125 | Y | 93.2 | Very high | 87.9 | Confident | 6 Ų | 6 | 53 Ų | 53 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 153.9 | -175.5 | -61.2 | -84.5 | 0 | 0 | 0 | 111 | V55 R56 F57 Y58 I104 Y105 I113 E118 L119 E120 E123 | V55-Y125 HydrophobicContact CB-CD2 4.14Å; V55-Y125 HydrophobicContact CB-CE2 4.21Å; V55-Y125 HydrophobicContact CG1-CD2 4.25Å; V55-Y125 HydrophobicContact CG1-CE2 3.84Å; R56-Y125 PolarHBondContact O-N 2.89Å; F57-Y125 CarbonylContact C-O 3.45Å; F57-Y125 WeakPolarHBondContact CA-O 3.43Å; F57-Y125 HydrophobicContact CE1-CD2 4.31Å; F57-Y125 HydrophobicContact CE1-CG 4.23Å; Y58-Y125 PolarHBondContact N-O 3.34Å; I104-Y125 HydrophobicContact CG2-CD1 4.16Å; I104-Y125 HydrophobicContact CG2-CG 4.17Å; Y105-Y125 CarbonylContact O-C 3.54Å; Y105-Y125 VanDerWaalsContact O-CA 3.26Å; Y105-Y125 WeakPolarHBondContact O-CA 3.28Å; Y105-Y125 WeakPolarHBondContact O-CB 3.18Å; I113-Y125 HydrophobicContact CD1-CD1 4.24Å; I113-Y125 HydrophobicContact CD1-CE1 3.8Å; I113-Y125 HydrophobicContact CG1-CD1 3.83Å; I113-Y125 HydrophobicContact CG1-CE1 3.84Å; E118-Y125 PolarHBondContact O-OH 3.22Å; L119-Y125 WeakPolarHBondContact CA-OH 3.36Å; L119-Y125 HydrophobicContact CD2-CD1 4.03Å; L119-Y125 HydrophobicContact CD2-CD2 3.96Å; L119-Y125 HydrophobicContact CD2-CE1 3.8Å; L119-Y125 HydrophobicContact CD2-CE2 3.72Å; L119-Y125 HydrophobicContact CD2-CG 4.12Å; E120-Y125 PolarHBondContact N-OH 3.4Å; E123-Y125 HydrophobicContact CB-CD2 4.49Å; E123-Y125 HydrophobicContact CB-CE2 3.56Å |
| 126 | V | 92.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 117.8 | -177.7 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | N60 Y105 I107 F133 Y138 | N60-V126 HydrophobicContact CB-CG1 4.01Å; Y105-V126 PolarHBondContact N-O 3.37Å; Y105-V126 PolarHBondContact O-N 3.39Å; I107-V126 HydrophobicContact CD1-CG2 4.01Å; V126-F133 HydrophobicContact CB-CE2 3.93Å; V126-F133 HydrophobicContact CG1-CD2 4.45Å; V126-F133 HydrophobicContact CG1-CE2 4.03Å; V126-F133 HydrophobicContact CG2-CE2 3.97Å; V126-Y138 HydrophobicContact CG1-CE1 4.47Å; V126-Y138 HydrophobicContact CG1-CE2 4.21Å; V126-Y138 HydrophobicContact CG2-CD2 3.82Å; V126-Y138 HydrophobicContact CG2-CE2 3.69Å; V126-Y138 HydrophobicContact CG2-CG 4.42Å |
| 127 | C | 93 | Very high | 87.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 137.9 | 176 | -66.1 | 0 | 0 | 0 | 0 | 110.7 | F57 Y58 N60 L91 V101 Y103 | F57-C127 VanDerWaalsContact CD1-SG 3.58Å; Y58-C127 WeakPolarHBondContact O-CB 3.23Å; Y58-C127 PolarHBondContact O-N 3Å; N60-C127 VanDerWaalsContact CB-O 3.27Å; N60-C127 WeakPolarHBondContact CB-O 3.33Å; N60-C127 PolarHBondContact N-O 2.92Å; L91-C127 HydrophobicContact CD1-CB 3.81Å; L91-C127 VanDerWaalsContact CD1-SG 3.58Å; V101-C127 HydrophobicContact CB-CB 4.32Å; V101-C127 HydrophobicContact CG1-CB 3.64Å; V101-C127 HydrophobicContact CG2-CB 3.73Å; Y103-C127 WeakPolarHBondContact O-CA 3.49Å |
| 128 | S | 91.4 | Very high | 86.9 | Confident | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.028 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 147.6 | -179.9 | -169.1 | 0 | 0 | 0 | 0 | 112 | N60 R102 Y103 D130 | N60-S128 PolarHBondContact ND2-OG 2.86Å; R102-S128 PolarHBondContact N-O 3.16Å; Y103-S128 PolarHBondContact N-O 2.62Å; Y103-S128 PolarHBondContact O-N 3.4Å; S128-D130 VanDerWaalsContact CB-O 3.3Å; S128-D130 WeakPolarHBondContact CB-O 3.14Å; S128-D130 PolarHBondContact OG-N 3.01Å; S128-D130 PolarHBondContact OG-O 3.28Å |
| 129 | S | 89 | Confident | 86.4 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 5% | 0.049 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -76.4 | -30.1 | 167.2 | -68.2 | 0 | 0 | 0 | 0 | 113.1 | L97 Q99 G100 R102 | L97-S129 WeakPolarHBondContact CA-OG 3.11Å; L97-S129 PolarHBondContact O-OG 2.82Å; Q99-S129 PolarHBondContact N-OG 3.24Å; G100-S129 PolarHBondContact N-OG 2.9Å; G100-S129 VanDerWaalsContact O-CA 3.22Å; G100-S129 WeakPolarHBondContact O-CA 3.26Å; G100-S129 WeakPolarHBondContact O-CB 3.26Å; G100-S129 PolarHBondContact O-N 2.85Å; G100-S129 PolarHBondContact O-OG 3.47Å; R102-S129 WeakPolarHBondContact CB-O 3.46Å; R102-S129 WeakPolarHBondContact CD-O 3.33Å; R102-S129 WeakPolarHBondContact CG-O 3.45Å |
| 130 | D | 83.3 | Confident | 85.5 | Confident | 82 Ų | 82 | 58.6 Ų | 58.6 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -130.7 | 167 | -171.9 | 177 | 45.3 | 0 | 0 | 0 | 110.9 | S128 F132 | S128-D130 VanDerWaalsContact CB-O 3.3Å; S128-D130 WeakPolarHBondContact CB-O 3.14Å; S128-D130 PolarHBondContact OG-N 3.01Å; S128-D130 PolarHBondContact OG-O 3.28Å; D130-F132 PolarHBondContact O-N 3.44Å; D130-F132 WeakPolarHBondContact OD2-CB 3.27Å; D130-F132 PolarHBondContact OD2-N 3.45Å |
| 131 | N | 79.4 | Confident | 84.5 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -71 | -13.4 | -178.8 | -62.3 | -89.7 | 0 | 0 | 0 | 113.2 | Y103 Y105 F133 | Y103-N131 WeakPolarHBondContact CE2-ND2 3.46Å; Y105-N131 WeakPolarHBondContact OH-CA 3.47Å; Y105-N131 PolarHBondContact OH-O 2.89Å; N131-F133 PolarHBondContact O-N 2.98Å |
| 132 | F | 81 | Confident | 83.9 | Confident | 137 Ų | 137 | 59 Ų | 59 | 60% | 0.601 | 29% | 0.29 | S | S | * | . | trans | -78.6 | 98.8 | 179 | -168.9 | -93.4 | 0 | 0 | 0 | 113.4 | N60 D130 K134 | N60-F132 PolarHBondContact ND2-O 2.76Å; D130-F132 PolarHBondContact O-N 3.44Å; D130-F132 WeakPolarHBondContact OD2-CB 3.27Å; D130-F132 PolarHBondContact OD2-N 3.45Å; F132-K134 HydrophobicContact CD1-CG 3.97Å; F132-K134 HydrophobicContact CE1-CG 3.81Å | ||
| 133 | F | 84.4 | Confident | 83.3 | Confident | 40 Ų | 40 | 63.3 Ų | 63.3 | 18% | 0.175 | 31% | 0.311 | C | S | . | . | trans | -76.4 | 127.4 | 175 | 178.3 | -94.7 | 0 | 0 | 0 | 112.6 | Y105 G109 V126 N131 K135 Y138 | Y105-F133 HydrophobicContact CG-CD2 4.19Å; G109-F133 VanDerWaalsContact CA-CE1 3.48Å; G109-F133 VanDerWaalsContact CA-CZ 3.46Å; G109-F133 VanDerWaalsContact N-CZ 3.32Å; V126-F133 HydrophobicContact CB-CE2 3.93Å; V126-F133 HydrophobicContact CG1-CD2 4.45Å; V126-F133 HydrophobicContact CG1-CE2 4.03Å; V126-F133 HydrophobicContact CG2-CE2 3.97Å; N131-F133 PolarHBondContact O-N 2.98Å; F133-K135 HydrophobicContact CD1-CB 4.43Å; F133-K135 HydrophobicContact CE1-CB 3.74Å; F133-K135 HydrophobicContact CE1-CG 4.16Å; F133-Y138 HydrophobicContact CE2-CE2 4.39Å; F133-Y138 HydrophobicContact CZ-CE2 4.16Å | ||
| 134 | K | 85.8 | Confident | 82.5 | Confident | 112 Ų | 112 | 65 Ų | 65 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | trans | -98.9 | 114.8 | 171.1 | -65.4 | 171.9 | -179.4 | 173.2 | 0 | 109.2 | N60 F132 V136 Y138 | N60-K134 WeakPolarHBondContact OD1-CB 3.3Å; N60-K134 PolarHBondContact OD1-N 2.87Å; F132-K134 HydrophobicContact CD1-CG 3.97Å; F132-K134 HydrophobicContact CE1-CG 3.81Å; K134-V136 HydrophobicContact CB-CG2 4.49Å; K134-V136 PolarHBondContact O-N 2.85Å; K134-Y138 PolarHBondContact O-OH 2.94Å | ||
| 135 | K | 81.8 | Confident | 81.5 | Confident | 145 Ų | 145 | 68.6 Ų | 68.6 | 63% | 0.63 | 35% | 0.345 | S | S | * | . | trans | -73.4 | 115.9 | 173.8 | -164.8 | 159.4 | -170.2 | 156 | 0 | 109.9 | D108 F133 | D108-K135 IonicContact OD1-NZ 2.63Å; D108-K135 PolarHBondContact OD1-NZ 3.11Å; F133-K135 HydrophobicContact CD1-CB 4.43Å; F133-K135 HydrophobicContact CE1-CB 3.74Å; F133-K135 HydrophobicContact CE1-CG 4.16Å | ||
| 136 | V | 84.7 | Confident | 80.6 | Confident | 43 Ų | 43 | 69.5 Ų | 69.5 | 26% | 0.261 | 35% | 0.348 | S | S | . | . | trans | -132.3 | 153.9 | 178.4 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | R63 K134 Y138 | R63-V136 HydrophobicContact CB-CG1 3.61Å; K134-V136 HydrophobicContact CB-CG2 4.49Å; K134-V136 PolarHBondContact O-N 2.85Å; V136-Y138 HydrophobicContact CB-CD1 4.29Å; V136-Y138 HydrophobicContact CB-CD2 4.41Å; V136-Y138 HydrophobicContact CB-CE1 3.88Å; V136-Y138 HydrophobicContact CB-CE2 3.99Å; V136-Y138 HydrophobicContact CG1-CE1 4.41Å; V136-Y138 HydrophobicContact CG2-CE1 4.5Å; V136-Y138 WeakPolarHBondContact O-CD2 3.42Å; V136-Y138 WeakPolarHBondContact O-CE2 3.45Å; V136-Y138 PolarHBondContact O-N 2.7Å | ||
| 137 | E | 80.1 | Confident | 79.6 | Confident | 120 Ų | 120 | 70.4 Ų | 70.4 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | trans | -77.3 | 61.3 | -179.9 | -160.6 | 82.7 | -97.6 | 0 | 0 | 112 | T139 K140 | E137-T139 PolarHBondContact O-N 3.13Å; E137-K140 HydrophobicContact CB-CB 4.19Å; E137-K140 HydrophobicContact CB-CD 4.3Å; E137-K140 HydrophobicContact CG-CB 3.49Å; E137-K140 VanDerWaalsContact CG-CB 3.49Å; E137-K140 HydrophobicContact CG-CD 3.76Å; E137-K140 HydrophobicContact CG-CG 3.65Å; E137-K140 PolarHBondContact O-N 3.23Å; E137-K140 VanDerWaalsContact O-N 3.16Å | ||
| 138 | Y | 80.1 | Confident | 77.8 | Confident | 12 Ų | 12 | 75.6 Ų | 75.6 | 5% | 0.047 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -29.8 | -172.9 | -64.1 | -68.1 | 0 | 0 | 0 | 113.9 | Y58 R59 G61 D62 I107 V126 F133 K134 V136 | Y58-Y138 HydrophobicContact CD1-CD1 4.21Å; Y58-Y138 HydrophobicContact CD1-CG 4.38Å; Y58-Y138 WeakPolarHBondContact CE1-O 3.49Å; Y58-Y138 HydrophobicContact CG-CD1 4.29Å; Y58-Y138 HydrophobicContact CG-CG 4.35Å; R59-Y138 WeakPolarHBondContact O-CE1 3.31Å; G61-Y138 PolarHBondContact N-OH 3.03Å; D62-Y138 WeakPolarHBondContact O-CD1 3.05Å; D62-Y138 WeakPolarHBondContact O-CE1 3.42Å; I107-Y138 HydrophobicContact CD1-CD2 4.01Å; I107-Y138 HydrophobicContact CD1-CG 4.25Å; V126-Y138 HydrophobicContact CG1-CE1 4.47Å; V126-Y138 HydrophobicContact CG1-CE2 4.21Å; V126-Y138 HydrophobicContact CG2-CD2 3.82Å; V126-Y138 HydrophobicContact CG2-CE2 3.69Å; V126-Y138 HydrophobicContact CG2-CG 4.42Å; F133-Y138 HydrophobicContact CE2-CE2 4.39Å; F133-Y138 HydrophobicContact CZ-CE2 4.16Å; K134-Y138 PolarHBondContact O-OH 2.94Å; V136-Y138 HydrophobicContact CB-CD1 4.29Å; V136-Y138 HydrophobicContact CB-CD2 4.41Å; V136-Y138 HydrophobicContact CB-CE1 3.88Å; V136-Y138 HydrophobicContact CB-CE2 3.99Å; V136-Y138 HydrophobicContact CG1-CE1 4.41Å; V136-Y138 HydrophobicContact CG2-CE1 4.5Å; V136-Y138 WeakPolarHBondContact O-CD2 3.42Å; V136-Y138 WeakPolarHBondContact O-CE2 3.45Å; V136-Y138 PolarHBondContact O-N 2.7Å |
| 139 | T | 80.6 | Confident | 75.8 | Confident | 62 Ų | 62 | 82.9 Ų | 82.9 | 38% | 0.38 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -7.5 | -175.2 | 52.8 | 0 | 0 | 0 | 0 | 114.8 | I107 E137 N141 V142 | I107-T139 HydrophobicContact CD1-CG2 4.33Å; I107-T139 HydrophobicContact CG1-CG2 4.32Å; E137-T139 PolarHBondContact O-N 3.13Å; T139-N141 PolarHBondContact O-N 2.9Å; T139-V142 PolarHBondContact O-N 3.45Å |
| 140 | K | 69.7 | Low | 74.1 | Confident | 145 Ų | 145 | 84.4 Ų | 84.4 | 63% | 0.63 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -34.1 | -166.2 | -149.8 | 174.8 | -157.5 | 150.9 | 0 | 115.6 | E137 | E137-K140 HydrophobicContact CB-CB 4.19Å; E137-K140 HydrophobicContact CB-CD 4.3Å; E137-K140 HydrophobicContact CG-CB 3.49Å; E137-K140 VanDerWaalsContact CG-CB 3.49Å; E137-K140 HydrophobicContact CG-CD 3.76Å; E137-K140 HydrophobicContact CG-CG 3.65Å; E137-K140 PolarHBondContact O-N 3.23Å; E137-K140 VanDerWaalsContact O-N 3.16Å |
| 141 | N | 67.6 | Low | 72.5 | Confident | 136 Ų | 136 | 85.3 Ų | 85.3 | 73% | 0.727 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128 | 21.3 | -174.9 | -54.1 | 112.7 | 0 | 0 | 0 | 112.2 | T139 | T139-N141 PolarHBondContact O-N 2.9Š|
| 142 | V | 76.4 | Confident | 70.5 | Confident | 26 Ų | 26 | 89.1 Ų | 89.1 | 16% | 0.158 | 46% | 0.461 | C | S | . | . | trans | -108.1 | 116.7 | 177.6 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | Y58 K66 T139 | Y58-V142 HydrophobicContact CE1-CG2 4.27Å; K66-V142 HydrophobicContact CB-CG2 3.93Å; K66-V142 HydrophobicContact CG-CG2 4.23Å; T139-V142 PolarHBondContact O-N 3.45Å | ||
| 143 | N | 72.7 | Confident | 68.5 | Low | 99 Ų | 99 | 87.1 Ų | 87.1 | 53% | 0.529 | 46% | 0.463 | S | S | . | . | trans | -68.2 | 129.6 | 175.5 | -171.7 | -36.3 | 0 | 0 | 0 | 109.1 | N145 | N143-N145 WeakPolarHBondContact CB-OD1 3.27Å; N143-N145 VanDerWaalsContact CG-CG 3.43Å; N143-N145 PolarHBondContact O-N 3.13Å; N143-N145 PolarHBondContact O-OD1 3.35Å; N143-N145 VanDerWaalsContact OD1-CB 3.25Å; N143-N145 WeakPolarHBondContact OD1-CB 3.24Å; N143-N145 VanDerWaalsContact OD1-CG 3.28Å; N143-N145 PolarHBondContact OD1-N 2.76Å; N143-N145 PolarHBondContact OD1-OD1 3.1Å | ||
| 144 | P | 72.4 | Confident | 66.7 | Low | 95 Ų | 95 | 90.3 Ų | 90.3 | 62% | 0.617 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -63.5 | -8.5 | 177.7 | 26.2 | -35.4 | 0 | 0 | 0 | 113.4 | W146 S147 | P144-W146 PolarHBondContact O-N 2.78Å; P144-S147 PolarHBondContact O-N 3.15Å; P144-S147 VanDerWaalsContact O-N 3.1Å; P144-S147 PolarHBondContact O-OG 2.89Å; P144-S147 VanDerWaalsContact O-OG 3.06Å |
| 145 | N | 72.8 | Confident | 64.8 | Low | 91 Ų | 91 | 91.4 Ų | 91.4 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -58.1 | -8.2 | 176 | 74.4 | -12.2 | 0 | 0 | 0 | 115.4 | N143 S147 V148 | N143-N145 WeakPolarHBondContact CB-OD1 3.27Å; N143-N145 VanDerWaalsContact CG-CG 3.43Å; N143-N145 PolarHBondContact O-N 3.13Å; N143-N145 PolarHBondContact O-OD1 3.35Å; N143-N145 VanDerWaalsContact OD1-CB 3.25Å; N143-N145 WeakPolarHBondContact OD1-CB 3.24Å; N143-N145 VanDerWaalsContact OD1-CG 3.28Å; N143-N145 PolarHBondContact OD1-N 2.76Å; N143-N145 PolarHBondContact OD1-OD1 3.1Å; N145-S147 PolarHBondContact O-N 2.89Å; N145-V148 HydrophobicContact CB-CG1 4.02Å; N145-V148 WeakPolarHBondContact O-CG1 3.22Å; N145-V148 VanDerWaalsContact O-CG2 3.27Å; N145-V148 WeakPolarHBondContact O-CG2 3.43Å; N145-V148 PolarHBondContact O-N 2.97Å |
| 146 | W | 73.8 | Confident | 63 | Low | 25 Ų | 25 | 93 Ų | 93 | 10% | 0.095 | 52% | 0.52 | C | S | . | . | G | 310 helix | trans | -62.7 | -25 | 171.3 | 73.6 | -94.5 | 0 | 0 | 0 | 112.8 | K54 V55 R56 V69 G122 E123 P144 | K54-W146 WeakPolarHBondContact CE-O 3.36Å; K54-W146 HydrophobicContact CG-CZ3 4.35Å; K54-W146 PolarHBondContact NZ-O 2.74Å; V55-W146 VanDerWaalsContact C-CH2 3.49Å; V55-W146 VanDerWaalsContact C-CZ3 3.41Å; R56-W146 HydrophobicContact CB-CD2 4.05Å; R56-W146 HydrophobicContact CB-CE3 4.09Å; R56-W146 HydrophobicContact CB-CH2 3.57Å; R56-W146 HydrophobicContact CB-CZ2 3.47Å; R56-W146 VanDerWaalsContact CB-CZ2 3.47Å; R56-W146 HydrophobicContact CB-CZ3 3.87Å; R56-W146 VanDerWaalsContact N-CH2 3.31Å; R56-W146 VanDerWaalsContact NE-CG 3.27Å; V69-W146 HydrophobicContact CB-CE3 4.48Å; V69-W146 HydrophobicContact CG1-CE3 3.92Å; V69-W146 HydrophobicContact CG1-CZ3 4.26Å; V69-W146 HydrophobicContact CG2-CB 4.12Å; V69-W146 HydrophobicContact CG2-CD2 4.24Å; V69-W146 HydrophobicContact CG2-CE3 3.8Å; V69-W146 HydrophobicContact CG2-CG 4.39Å; G122-W146 VanDerWaalsContact C-CH2 3.43Å; G122-W146 WeakPolarHBondContact O-CH2 3.45Å; G122-W146 WeakPolarHBondContact O-CZ2 3.39Å; E123-W146 WeakPolarHBondContact O-CH2 3.25Å; P144-W146 PolarHBondContact O-N 2.78Å |
| 147 | S | 71.9 | Confident | 60.8 | Low | 20 Ų | 20 | 100.2 Ų | 100.2 | 14% | 0.14 | 55% | 0.548 | C | S | . | . | G | 310 helix | trans | -103.9 | 26 | 179 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | P144 N145 N149 V150 | P144-S147 PolarHBondContact O-N 3.15Å; P144-S147 VanDerWaalsContact O-N 3.1Å; P144-S147 PolarHBondContact O-OG 2.89Å; P144-S147 VanDerWaalsContact O-OG 3.06Å; N145-S147 PolarHBondContact O-N 2.89Å; S147-N149 VanDerWaalsContact C-N 3.27Å; S147-N149 PolarHBondContact O-N 2.82Å; S147-V150 PolarHBondContact O-N 2.71Å; S147-V150 VanDerWaalsContact O-N 3.16Å |
| 148 | V | 53.9 | Low | 58.9 | Low | 109 Ų | 109 | 98.7 Ų | 98.7 | 66% | 0.661 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | 78 | 177.8 | -75.4 | 0 | 0 | 0 | 0 | 115.1 | N145 | N145-V148 HydrophobicContact CB-CG1 4.02Å; N145-V148 WeakPolarHBondContact O-CG1 3.22Å; N145-V148 VanDerWaalsContact O-CG2 3.27Å; N145-V148 WeakPolarHBondContact O-CG2 3.43Å; N145-V148 PolarHBondContact O-N 2.97Å |
| 149 | N | 50.1 | Low | 57.1 | Low | 156 Ų | 156 | 104.2 Ų | 104.2 | 83% | 0.834 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168 | -9.7 | 136.1 | -146.3 | 103.9 | 0 | 0 | 0 | 110.2 | S147 | S147-N149 VanDerWaalsContact C-N 3.27Å; S147-N149 PolarHBondContact O-N 2.82Å |
| 150 | V | 53.5 | Low | 55 | Low | 40 Ų | 40 | 109.3 Ų | 109.3 | 24% | 0.242 | 61% | 0.613 | C | S | . | * | S | Bend | trans | -88.6 | 134.4 | 179.6 | -152.5 | 0 | 0 | 0 | 0 | 110.5 | E121 S147 | E121-V150 HydrophobicContact CB-CG1 4.24Å; E121-V150 HydrophobicContact CB-CG2 3.96Å; E121-V150 HydrophobicContact CG-CG2 3.63Å; E121-V150 WeakPolarHBondContact O-CG1 3.13Å; S147-V150 PolarHBondContact O-N 2.71Å; S147-V150 VanDerWaalsContact O-N 3.16Å |
| 151 | K | 49.8 | Very low | 53.9 | Low | 101 Ų | 101 | 108.2 Ų | 108.2 | 44% | 0.439 | 62% | 0.623 | S | S | . | * | trans | 47.3 | 67.4 | 168 | 55.4 | -169.1 | 151.4 | -168.9 | 0 | 117.1 | E120 E123 S153 | E120-K151 IonicContact OE2-NZ 2.6Å; E123-K151 WeakPolarHBondContact OE1-CE 3.32Å; E123-K151 IonicContact OE1-NZ 2.85Å; E123-K151 PolarHBondContact OE1-NZ 2.59Å; K151-S153 PolarHBondContact O-N 3.01Å | ||
| 152 | T | 37.2 | Very low | 52.5 | Low | 158 Ų | 158 | 109 Ų | 109 | 97% | 0.969 | 63% | 0.626 | S | S | * | * | -68.1 | 54.5 | 128.9 | -45.2 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 153 | S | 39.1 | Very low | 50.8 | Low | 94 Ų | 94 | 112 Ų | 112 | 66% | 0.657 | 66% | 0.655 | S | S | * | * | trans | -98 | 118.2 | -175.6 | -167.9 | 0 | 0 | 0 | 0 | 108.9 | K151 N155 | K151-S153 PolarHBondContact O-N 3.01Å; S153-N155 PolarHBondContact O-N 2.63Å | ||
| 154 | A | 46.8 | Very low | 49.2 | Very low | 107 Ų | 107 | 113 Ų | 113 | 88% | 0.884 | 67% | 0.669 | S | S | * | * | trans | -78.1 | 85.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 155 | N | 45.1 | Very low | 47.6 | Very low | 136 Ų | 136 | 113.2 Ų | 113.2 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | -155.9 | 65.2 | 155.6 | -168.3 | 23 | 0 | 0 | 0 | 114.3 | S153 | S153-N155 PolarHBondContact O-N 2.63Š| ||
| 156 | M | 44.5 | Very low | 46.2 | Very low | 177 Ų | 177 | 116.7 Ų | 116.7 | 87% | 0.872 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -142.3 | 105.5 | 149.2 | -80.6 | -56 | 156.2 | 0 | 0 | 109.3 | A158 | M156-A158 PolarHBondContact O-N 2.92Š|
| 157 | K | 39 | Very low | 44.3 | Very low | 196 Ų | 196 | 120.8 Ų | 120.8 | 85% | 0.852 | 72% | 0.724 | S | S | * | * | trans | 9.2 | 98.5 | 168.6 | -63.1 | 179.4 | -179.6 | 179.3 | 0 | 115.6 | P159 | K157-P159 WeakPolarHBondContact O-CD 3.45Š| ||
| 158 | A | 39 | Very low | 42.9 | Very low | 87 Ų | 87 | 124.3 Ų | 124.3 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 125.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | M156 Q160 | M156-A158 PolarHBondContact O-N 2.92Å; A158-Q160 PolarHBondContact O-N 3.25Å; A158-Q160 VanDerWaalsContact O-N 3.16Å |
| 159 | P | 42.4 | Very low | 42.1 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 118.9 | 170.9 | -20.3 | 33.1 | 0 | 0 | 0 | 108.4 | K157 | K157-P159 WeakPolarHBondContact O-CD 3.45Š|
| 160 | Q | 36.9 | Very low | 41.6 | Very low | 170 Ų | 170 | 125.1 Ų | 125.1 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 140.1 | 180 | -72.4 | 173.2 | -34.4 | 0 | 0 | 110.1 | A158 L162 | A158-Q160 PolarHBondContact O-N 3.25Å; A158-Q160 VanDerWaalsContact O-N 3.16Å; Q160-L162 PolarHBondContact O-N 3.47Å |
| 161 | S | 46.8 | Very low | 41 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -68.7 | 97.4 | 172.8 | 51.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 162 | L | 39.2 | Very low | 40.7 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -116.8 | 123.3 | 166.3 | -67.9 | 176.9 | 0 | 0 | 0 | 109 | Q160 | Q160-L162 PolarHBondContact O-N 3.47Š| ||
| 163 | A | 40.8 | Very low | 41 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -80.2 | 166.5 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 164 | S | 38.2 | Very low | 41.4 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | 69.3 | 130.8 | -179.4 | -51.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 165 | S | 38.7 | Very low | 41.8 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | cis | -160.3 | 154.8 | 11.8 | 49.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 166 | N | 43.6 | Very low | 42.1 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | 44.4 | 81.9 | 151.4 | -61.3 | 0.4 | 0 | 0 | 0 | 119.1 | ||||
| 167 | S | 33.2 | Very low | 42.9 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -146.9 | 88.8 | 143.6 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 168 | A | 43.1 | Very low | 44.2 | Very low | 94 Ų | 94 | 138.4 Ų | 138.4 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | -67.5 | 167.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 169 | Q | 38.1 | Very low | 46.2 | Very low | 194 Ų | 194 | 137 Ų | 137 | 91% | 0.907 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 67.3 | 48.8 | 176.4 | -54 | -175.7 | -22.8 | 0 | 0 | 116.5 | ||
| 170 | A | 37.8 | Very low | 48.2 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | -149 | -8.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 171 | R | 41.3 | Very low | 50.6 | Low | 232 Ų | 232 | 127.8 Ų | 127.8 | 88% | 0.875 | 70% | 0.699 | S | S | * | * | trans | -88.6 | -16.9 | -163.2 | -93.7 | -173.9 | 176 | -171.2 | -0.7 | 117 | N173 | R171-N173 PolarHBondContact O-N 2.89Š| ||
| 172 | E | 44.4 | Very low | 52.6 | Low | 160 Ų | 160 | 122 Ų | 122 | 75% | 0.748 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -14.1 | -158.1 | -64.2 | 171.9 | -127.9 | 0 | 0 | 114.9 | ||
| 173 | N | 43 | Very low | 55 | Low | 147 Ų | 147 | 115.5 Ų | 115.5 | 79% | 0.786 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 32 | -175.6 | -80.5 | -41.9 | 0 | 0 | 0 | 114.6 | R171 | R171-N173 PolarHBondContact O-N 2.89Š|
| 174 | K | 48.4 | Very low | 57.3 | Low | 189 Ų | 189 | 111.2 Ų | 111.2 | 82% | 0.822 | 59% | 0.59 | S | S | * | * | trans | -111 | 0.7 | 176.9 | -93.3 | -169.2 | 173.4 | -177.7 | 0 | 117 | F176 | K174-F176 PolarHBondContact O-N 2.7Š| ||
| 175 | D | 53.5 | Low | 59.6 | Low | 94 Ų | 94 | 105.7 Ų | 105.7 | 50% | 0.503 | 55% | 0.55 | S | S | . | * | trans | -82.2 | 52.3 | 179.8 | -60.1 | -39.8 | 0 | 0 | 0 | 113.4 | V177 K201 | D175-V177 PolarHBondContact O-N 2.77Å; D175-V177 VanDerWaalsContact O-N 3.16Å; D175-K201 HydrophobicContact CB-CD 3.53Å; D175-K201 IonicContact OD2-NZ 2.63Å; D175-K201 PolarHBondContact OD2-NZ 2.76Å | ||
| 176 | F | 52.5 | Low | 61.7 | Low | 160 Ų | 160 | 104 Ų | 104 | 70% | 0.702 | 53% | 0.529 | S | S | * | . | trans | -79.2 | 100.7 | -179.4 | -95 | -99.8 | 0 | 0 | 0 | 112.2 | K174 R178 | K174-F176 PolarHBondContact O-N 2.7Å; F176-R178 PolarHBondContact O-N 3.44Å | ||
| 177 | V | 61.5 | Low | 63.1 | Low | 89 Ų | 89 | 97.8 Ų | 97.8 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | S | Bend | trans | 62.5 | 33.4 | 158.2 | -146.6 | 0 | 0 | 0 | 0 | 115.7 | D175 K202 | D175-V177 PolarHBondContact O-N 2.77Å; D175-V177 VanDerWaalsContact O-N 3.16Å; V177-K202 HydrophobicContact CG2-CD 3.93Å |
| 178 | R | 66.7 | Low | 64.9 | Low | 216 Ų | 216 | 93.3 Ų | 93.3 | 82% | 0.815 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -101 | 118 | 160 | -173.3 | 175.3 | -64.3 | 141 | 3.2 | 109.6 | F176 | F176-R178 PolarHBondContact O-N 3.44Š|
| 179 | P | 79.4 | Confident | 65.8 | Low | 58 Ų | 58 | 95 Ų | 95 | 38% | 0.377 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 143.1 | 169.1 | 31.7 | -34.1 | 0 | 0 | 0 | 110.8 | L198 L199 N200 | P179-L198 HydrophobicContact CB-CD1 3.77Å; P179-L198 HydrophobicContact CB-CD2 4.27Å; P179-L198 HydrophobicContact CB-CG 3.81Å; P179-L198 HydrophobicContact CG-CD1 4.08Å; P179-L198 HydrophobicContact CG-CD2 4.34Å; P179-L198 HydrophobicContact CG-CG 4.33Å; P179-L199 CarbonylContact C-O 3.5Å; P179-L199 VanDerWaalsContact CA-O 3.28Å; P179-L199 WeakPolarHBondContact CA-O 3.35Å; P179-N200 HydrophobicContact CB-CB 4.23Å |
| 180 | K | 85.1 | Confident | 66.7 | Low | 34 Ų | 34 | 90.9 Ų | 90.9 | 15% | 0.148 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 140.1 | 175.4 | -174.5 | 178.4 | 174.1 | -172.8 | 0 | 109.4 | V182 L198 L199 F242 F243 G244 D246 D247 | K180-V182 HydrophobicContact CD-CG1 4.18Å; K180-V182 HydrophobicContact CG-CG1 4.16Å; K180-L198 CarbonylContact O-C 3.08Å; K180-L199 PolarHBondContact N-O 2.63Å; K180-L199 PolarHBondContact O-N 2.86Å; K180-F242 WeakPolarHBondContact CD-O 3.42Å; K180-F242 WeakPolarHBondContact CE-O 3.26Å; K180-F242 PolarHBondContact NZ-O 2.7Å; K180-F243 HydrophobicContact CB-CD1 4.13Å; K180-F243 HydrophobicContact CB-CE1 4.17Å; K180-F243 HydrophobicContact CD-CD1 4.25Å; K180-G244 PolarHBondContact NZ-O 2.88Å; K180-D246 WeakPolarHBondContact CE-O 3.33Å; K180-D246 PolarHBondContact NZ-O 3.15Å; K180-D247 WeakPolarHBondContact CE-OD1 3.2Å; K180-D247 IonicContact NZ-OD1 3.25Å |
| 181 | L | 86.9 | Confident | 67.7 | Low | 71 Ų | 71 | 92.6 Ų | 92.6 | 37% | 0.372 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 89.5 | -176.8 | -178.7 | 60 | 0 | 0 | 0 | 110.3 | R196 L198 | L181-R196 HydrophobicContact CD1-CB 3.96Å; L181-R196 HydrophobicContact CG-CB 4.49Å; L181-L198 HydrophobicContact CB-CD1 4.1Å; L181-L198 HydrophobicContact CD1-CB 4.31Å; L181-L198 HydrophobicContact CD1-CD1 4.2Å |
| 182 | V | 89.4 | Confident | 69.2 | Low | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 153.3 | -179.1 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | K180 I184 R196 V197 L199 D247 F249 | K180-V182 HydrophobicContact CD-CG1 4.18Å; K180-V182 HydrophobicContact CG-CG1 4.16Å; V182-I184 HydrophobicContact CB-CD1 4.44Å; V182-I184 HydrophobicContact CG2-CD1 3.8Å; V182-I184 HydrophobicContact CG2-CG1 4.39Å; V182-R196 CarbonylContact O-C 3.55Å; V182-R196 WeakPolarHBondContact O-CA 3.45Å; V182-V197 HydrophobicContact CG2-CB 4.12Å; V182-V197 WeakPolarHBondContact CG2-O 2.84Å; V182-V197 PolarHBondContact N-O 3.19Å; V182-V197 PolarHBondContact O-N 3.25Å; V182-L199 HydrophobicContact CG1-CD1 4.21Å; V182-L199 HydrophobicContact CG2-CD1 3.7Å; V182-L199 HydrophobicContact CG2-CG 3.97Å; V182-D247 CarbonylContact C-O 3.46Å; V182-D247 WeakPolarHBondContact CA-O 3.39Å; V182-F249 HydrophobicContact CB-CD2 4.08Å; V182-F249 HydrophobicContact CB-CE2 3.94Å; V182-F249 HydrophobicContact CG1-CD2 4.41Å; V182-F249 HydrophobicContact CG1-CE2 3.77Å |
| 183 | T | 89.1 | Confident | 70.5 | Confident | 15 Ų | 15 | 83.1 Ų | 83.1 | 9% | 0.092 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 116.4 | 177.8 | -54.1 | 0 | 0 | 0 | 0 | 109.4 | A194 R196 D247 V248 F249 | T183-A194 HydrophobicContact CG2-CB 4.15Å; T183-R196 HydrophobicContact CG2-CG 4.28Å; T183-D247 PolarHBondContact N-O 3.09Å; T183-V248 WeakPolarHBondContact O-CA 3.27Å; T183-F249 PolarHBondContact O-N 2.93Å |
| 184 | I | 89.6 | Confident | 72.5 | Confident | 1 Ų | 1 | 78.2 Ų | 78.2 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.3 | -179.2 | -44.7 | -58.5 | 0 | 0 | 0 | 109.3 | V182 A194 V195 V197 I214 I218 L228 F249 A251 | V182-I184 HydrophobicContact CB-CD1 4.44Å; V182-I184 HydrophobicContact CG2-CD1 3.8Å; V182-I184 HydrophobicContact CG2-CG1 4.39Å; I184-A194 CarbonylContact O-C 3.48Å; I184-A194 WeakPolarHBondContact O-CA 3.23Å; I184-V195 PolarHBondContact N-O 2.97Å; I184-V195 PolarHBondContact O-N 3.24Å; I184-V197 HydrophobicContact CG1-CB 4.48Å; I184-V197 HydrophobicContact CG1-CG2 3.95Å; I184-I214 HydrophobicContact CB-CG2 4.35Å; I184-I214 HydrophobicContact CD1-CD1 3.99Å; I184-I214 HydrophobicContact CG1-CD1 4.28Å; I184-I214 HydrophobicContact CG1-CG1 4.28Å; I184-I214 HydrophobicContact CG1-CG2 3.97Å; I184-I214 HydrophobicContact CG2-CG2 3.83Å; I184-I218 HydrophobicContact CB-CD1 4.3Å; I184-I218 HydrophobicContact CG2-CD1 3.81Å; I184-L228 HydrophobicContact CD1-CD2 4.36Å; I184-L228 HydrophobicContact CG2-CD2 3.83Å; I184-F249 CarbonylContact C-O 3.49Å; I184-F249 WeakPolarHBondContact CA-O 3.41Å; I184-F249 HydrophobicContact CD1-CB 3.94Å; I184-F249 HydrophobicContact CD1-CD2 4.03Å; I184-F249 HydrophobicContact CD1-CG 4.38Å; I184-A251 HydrophobicContact CG2-CB 3.6Å |
| 185 | I | 86.3 | Confident | 74.3 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.015 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.1 | 179.7 | -56.8 | 174.5 | 0 | 0 | 0 | 108.5 | S187 R192 A194 V248 F249 I250 A251 L266 M274 | I185-S187 PolarHBondContact O-N 3.42Å; I185-R192 HydrophobicContact CG2-CB 4.36Å; I185-A194 HydrophobicContact CG1-CB 4.07Å; I185-V248 HydrophobicContact CD1-CG1 3.73Å; I185-V248 HydrophobicContact CG1-CG1 4.3Å; I185-F249 PolarHBondContact N-O 2.71Å; I185-I250 WeakPolarHBondContact O-CA 3.47Å; I185-A251 PolarHBondContact O-N 2.8Å; I185-L266 HydrophobicContact CD1-CD1 3.87Å; I185-M274 HydrophobicContact CD1-SD 3.86Å |
| 186 | R | 83.3 | Confident | 76 | Confident | 65 Ų | 65 | 74.6 Ų | 74.6 | 25% | 0.245 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 126.3 | 172.2 | 167.8 | 171.6 | -179.4 | -177 | 2.1 | 109.9 | K193 I218 L220 E221 | R186-K193 PolarHBondContact N-O 3.47Å; R186-K193 VanDerWaalsContact N-O 3.13Å; R186-I218 HydrophobicContact CB-CD1 4.11Å; R186-L220 HydrophobicContact CB-CD2 4.05Å; R186-L220 HydrophobicContact CG-CD2 3.73Å; R186-E221 IonicContact CZ-OE2 3.03Å; R186-E221 IonicContact NH1-OE2 2.89Å; R186-E221 PolarHBondContact NH1-OE2 3.48Å; R186-E221 IonicContact NH2-OE2 3.3Å; R186-E221 PolarHBondContact NH2-OE2 2.96Å |
| 187 | S | 71.9 | Confident | 77.7 | Confident | 31 Ų | 31 | 67.8 Ų | 67.8 | 22% | 0.217 | 35% | 0.345 | C | S | . | . | trans | -62.4 | 137.5 | 165.9 | 179.7 | 0 | 0 | 0 | 0 | 111 | I185 A251 D263 | I185-S187 PolarHBondContact O-N 3.42Å; S187-A251 WeakPolarHBondContact CB-O 3.38Å; S187-A251 PolarHBondContact N-O 3.32Å; S187-A251 VanDerWaalsContact N-O 3.08Å; S187-D263 WeakPolarHBondContact CA-OD2 3.04Å; S187-D263 WeakPolarHBondContact CB-OD2 3.42Å; S187-D263 PolarHBondContact OG-OD2 2.77Å | ||
| 188 | G | 71.9 | Confident | 79.1 | Confident | 19 Ų | 19 | 68.9 Ų | 68.9 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 114.1 | -159 | 174 | 0 | 0 | 0 | 0 | 0 | 116.3 | R192 D263 | G188-R192 PolarHBondContact O-NE 3.16Å; G188-R192 VanDerWaalsContact O-NE 3.17Å; G188-D263 PolarHBondContact N-OD1 3.38Å; G188-D263 PolarHBondContact N-OD2 2.82Å |
| 189 | V | 60.9 | Low | 80.1 | Confident | 130 Ų | 130 | 59 Ų | 59 | 79% | 0.788 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -63.6 | 142.2 | -164.6 | -65 | 0 | 0 | 0 | 0 | 114.4 | ||
| 190 | K | 57.3 | Low | 80.4 | Confident | 107 Ų | 107 | 58 Ų | 58 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -68.4 | 144.3 | 175.8 | -75 | 172.6 | 172.8 | 169.4 | 0 | 110.9 | R192 D267 E270 | K190-R192 HydrophobicContact CG-CG 4.19Å; K190-D267 IonicContact NZ-OD1 2.71Å; K190-D267 IonicContact NZ-OD2 3.45Å; K190-D267 PolarHBondContact NZ-OD2 3.44Å; K190-E270 WeakPolarHBondContact CE-OE1 3.33Å |
| 191 | P | 60 | Low | 80.2 | Confident | 123 Ų | 123 | 60.6 Ų | 60.6 | 80% | 0.799 | 31% | 0.313 | S | S | * | . | S | Bend | cis | -80.4 | 118.6 | 6.8 | 31.2 | -34.3 | 0 | 0 | 0 | 113.4 | K193 | P191-K193 PolarHBondContact O-N 2.96Š|
| 192 | R | 72 | Confident | 79.7 | Confident | 38 Ų | 38 | 63.1 Ų | 63.1 | 14% | 0.143 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -70 | 128.2 | 177 | -67.2 | 176.3 | -178.6 | 147.1 | -8.8 | 109.3 | I185 G188 K190 D262 D263 E270 | I185-R192 HydrophobicContact CG2-CB 4.36Å; G188-R192 PolarHBondContact O-NE 3.16Å; G188-R192 VanDerWaalsContact O-NE 3.17Å; K190-R192 HydrophobicContact CG-CG 4.19Å; R192-D262 PolarHBondContact NH2-O 2.98Å; R192-D263 IonicContact CZ-OD1 3.39Å; R192-D263 IonicContact NE-OD1 2.67Å; R192-D263 PolarHBondContact NE-OD1 3.43Å; R192-D263 IonicContact NH2-OD1 3.5Å; R192-D263 PolarHBondContact NH2-OD1 3.15Å; R192-E270 IonicContact NH1-OE2 3.48Å; R192-E270 PolarHBondContact NH1-OE2 2.98Å |
| 193 | K | 72.5 | Confident | 79.2 | Confident | 155 Ų | 155 | 67 Ų | 67 | 67% | 0.674 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -91.8 | 134.9 | 170.4 | -68 | -178.9 | -175.2 | 170.2 | 0 | 109.5 | R186 P191 | R186-K193 PolarHBondContact N-O 3.47Å; R186-K193 VanDerWaalsContact N-O 3.13Å; P191-K193 PolarHBondContact O-N 2.96Å |
| 194 | A | 84.3 | Confident | 78.9 | Confident | 44 Ų | 44 | 66.7 Ų | 66.7 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 133.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | T183 I184 I185 | T183-A194 HydrophobicContact CG2-CB 4.15Å; I184-A194 CarbonylContact O-C 3.48Å; I184-A194 WeakPolarHBondContact O-CA 3.23Å; I185-A194 HydrophobicContact CG1-CB 4.07Å |
| 195 | V | 85.9 | Confident | 78.2 | Confident | 43 Ų | 43 | 74.3 Ų | 74.3 | 26% | 0.261 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 134.1 | -179.1 | 178.4 | 0 | 0 | 0 | 0 | 109.4 | I184 V197 A217 I218 | I184-V195 PolarHBondContact N-O 2.97Å; I184-V195 PolarHBondContact O-N 3.24Å; V195-V197 HydrophobicContact CG1-CG2 4.17Å; V195-A217 HydrophobicContact CG1-CB 4.14Å; V195-I218 HydrophobicContact CG2-CG1 4.15Å |
| 196 | R | 89.3 | Confident | 78.2 | Confident | 165 Ų | 165 | 76.7 Ų | 76.7 | 62% | 0.623 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 114 | -179.2 | -58.7 | -178.7 | 71.7 | 175 | 3.4 | 109.2 | L181 V182 T183 | L181-R196 HydrophobicContact CD1-CB 3.96Å; L181-R196 HydrophobicContact CG-CB 4.49Å; V182-R196 CarbonylContact O-C 3.55Å; V182-R196 WeakPolarHBondContact O-CA 3.45Å; T183-R196 HydrophobicContact CG2-CG 4.28Å |
| 197 | V | 88.8 | Confident | 78.3 | Confident | 17 Ų | 17 | 75.7 Ų | 75.7 | 10% | 0.103 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.8 | -173.2 | -177 | 0 | 0 | 0 | 0 | 109.5 | V182 I184 V195 L199 I214 A217 | V182-V197 HydrophobicContact CG2-CB 4.12Å; V182-V197 WeakPolarHBondContact CG2-O 2.84Å; V182-V197 PolarHBondContact N-O 3.19Å; V182-V197 PolarHBondContact O-N 3.25Å; I184-V197 HydrophobicContact CG1-CB 4.48Å; I184-V197 HydrophobicContact CG1-CG2 3.95Å; V195-V197 HydrophobicContact CG1-CG2 4.17Å; V197-L199 HydrophobicContact CG1-CD2 3.87Å; V197-L199 HydrophobicContact CG1-CG 4.33Å; V197-I214 HydrophobicContact CG1-CG1 4.18Å; V197-I214 HydrophobicContact CG2-CG1 4.39Å; V197-A217 HydrophobicContact CG2-CB 3.85Å |
| 198 | L | 89.9 | Confident | 79 | Confident | 112 Ų | 112 | 81 Ų | 81 | 59% | 0.586 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 95.1 | -177.3 | -172.1 | 71 | 0 | 0 | 0 | 110.4 | P179 K180 L181 | P179-L198 HydrophobicContact CB-CD1 3.77Å; P179-L198 HydrophobicContact CB-CD2 4.27Å; P179-L198 HydrophobicContact CB-CG 3.81Å; P179-L198 HydrophobicContact CG-CD1 4.08Å; P179-L198 HydrophobicContact CG-CD2 4.34Å; P179-L198 HydrophobicContact CG-CG 4.33Å; K180-L198 CarbonylContact O-C 3.08Å; L181-L198 HydrophobicContact CB-CD1 4.1Å; L181-L198 HydrophobicContact CD1-CB 4.31Å; L181-L198 HydrophobicContact CD1-CD1 4.2Å |
| 199 | L | 87.9 | Confident | 79.8 | Confident | 7 Ų | 7 | 84.5 Ų | 84.5 | 4% | 0.037 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 130.9 | -178.7 | -61.6 | -179.6 | 0 | 0 | 0 | 111.4 | P179 K180 V182 V197 V210 F242 F243 | P179-L199 CarbonylContact C-O 3.5Å; P179-L199 VanDerWaalsContact CA-O 3.28Å; P179-L199 WeakPolarHBondContact CA-O 3.35Å; K180-L199 PolarHBondContact N-O 2.63Å; K180-L199 PolarHBondContact O-N 2.86Å; V182-L199 HydrophobicContact CG1-CD1 4.21Å; V182-L199 HydrophobicContact CG2-CD1 3.7Å; V182-L199 HydrophobicContact CG2-CG 3.97Å; V197-L199 HydrophobicContact CG1-CD2 3.87Å; V197-L199 HydrophobicContact CG1-CG 4.33Å; L199-V210 HydrophobicContact CD1-CG1 3.93Å; L199-V210 HydrophobicContact CD2-CG1 3.74Å; L199-V210 HydrophobicContact CD2-CG2 4.38Å; L199-F242 HydrophobicContact CD1-CB 4.28Å; L199-F242 HydrophobicContact CD1-CD1 3.66Å; L199-F242 HydrophobicContact CD1-CE1 4.02Å; L199-F242 HydrophobicContact CD1-CG 4.06Å; L199-F243 HydrophobicContact CB-CE1 4.06Å; L199-F243 HydrophobicContact CB-CZ 3.99Å |
| 200 | N | 86 | Confident | 81 | Confident | 39 Ų | 39 | 78.4 Ų | 78.4 | 21% | 0.209 | 39% | 0.389 | C | S | . | . | trans | -115.3 | 121.1 | 175.9 | 176.4 | 4.7 | 0 | 0 | 0 | 109.9 | P179 K202 T203 A204 | P179-N200 HydrophobicContact CB-CB 4.23Å; N200-K202 PolarHBondContact O-N 3.06Å; N200-K202 PolarHBondContact OD1-N 3.21Å; N200-K202 VanDerWaalsContact OD1-N 3.08Å; N200-T203 PolarHBondContact O-N 3.34Å; N200-T203 PolarHBondContact O-OG1 3.28Å; N200-A204 WeakPolarHBondContact O-CB 3.44Å; N200-A204 PolarHBondContact O-N 3.31Å | ||
| 201 | K | 80.3 | Confident | 82.5 | Confident | 87 Ų | 87 | 74.2 Ų | 74.2 | 38% | 0.378 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -20.3 | -179.4 | -162.4 | -175.4 | -176.7 | -175.2 | 0 | 113.4 | D175 F243 | D175-K201 HydrophobicContact CB-CD 3.53Å; D175-K201 IonicContact OD2-NZ 2.63Å; D175-K201 PolarHBondContact OD2-NZ 2.76Å; K201-F243 HydrophobicContact CB-CD1 4.47Å; K201-F243 HydrophobicContact CB-CD2 4.29Å; K201-F243 HydrophobicContact CB-CE1 4.12Å; K201-F243 HydrophobicContact CB-CE2 3.93Å; K201-F243 HydrophobicContact CB-CZ 3.85Å; K201-F243 HydrophobicContact CG-CD2 4.03Å; K201-F243 HydrophobicContact CG-CE2 3.97Å; K201-F243 HydrophobicContact CG-CZ 4.4Å; K201-F243 VanDerWaalsContact N-CZ 3.35Å |
| 202 | K | 76.9 | Confident | 83.7 | Confident | 124 Ų | 124 | 72.1 Ų | 72.1 | 54% | 0.539 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -17.9 | 174.8 | -74.6 | -153.8 | 68.7 | 179.1 | 0 | 115.8 | V177 N200 H205 | V177-K202 HydrophobicContact CG2-CD 3.93Å; N200-K202 PolarHBondContact O-N 3.06Å; N200-K202 PolarHBondContact OD1-N 3.21Å; N200-K202 VanDerWaalsContact OD1-N 3.08Å; K202-H205 PolarHBondContact O-CE1 2.99Å |
| 203 | T | 79.8 | Confident | 84.4 | Confident | 81 Ų | 81 | 73.3 Ų | 73.3 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -20.1 | 179.5 | 61.1 | 0 | 0 | 0 | 0 | 112.6 | N200 H205 | N200-T203 PolarHBondContact O-N 3.34Å; N200-T203 PolarHBondContact O-OG1 3.28Å; T203-H205 PolarHBondContact O-CD2 3.47Å; T203-H205 PolarHBondContact O-N 3.21Å |
| 204 | A | 81.6 | Confident | 85.1 | Confident | 10 Ų | 10 | 65.9 Ų | 65.9 | 8% | 0.083 | 33% | 0.334 | C | S | . | . | trans | -69.5 | 76.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | N200 V210 L239 F243 | N200-A204 WeakPolarHBondContact O-CB 3.44Å; N200-A204 PolarHBondContact O-N 3.31Å; A204-V210 HydrophobicContact CB-CG2 3.55Å; A204-L239 HydrophobicContact CB-CD1 4.44Å; A204-L239 HydrophobicContact CB-CD2 4.15Å; A204-L239 WeakPolarHBondContact O-CD1 3.2Å; A204-F243 HydrophobicContact CB-CE2 4.13Å; A204-F243 HydrophobicContact CB-CZ 4.22Å | ||
| 205 | H | 75.9 | Confident | 85.2 | Confident | 161 Ų | 161 | 64.9 Ų | 64.9 | 75% | 0.745 | 32% | 0.323 | S | S | * | . | trans | -77.7 | -25.2 | -177.7 | -63.9 | -64.9 | 0 | 0 | 0 | 113.5 | K202 T203 | K202-H205 PolarHBondContact O-CE1 2.99Å; T203-H205 PolarHBondContact O-CD2 3.47Å; T203-H205 PolarHBondContact O-N 3.21Å | ||
| 206 | S | 85.9 | Confident | 85 | Confident | 53 Ų | 53 | 69.5 Ų | 69.5 | 37% | 0.371 | 34% | 0.342 | S | S | . | . | trans | -145 | 151 | 176 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | E208 Q209 V210 | S206-E208 PolarHBondContact O-N 3.35Å; S206-E208 PolarHBondContact OG-N 3Å; S206-Q209 PolarHBondContact O-N 3.21Å; S206-V210 PolarHBondContact O-N 2.9Å; S206-V210 VanDerWaalsContact O-N 3.15Å | ||
| 207 | F | 85.8 | Confident | 84.7 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 19% | 0.193 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.4 | -36.3 | 170.7 | 177.4 | -108.4 | 0 | 0 | 0 | 111.6 | V210 L211 V236 L239 F242 | F207-V210 PolarHBondContact O-N 3.45Å; F207-L211 HydrophobicContact CD1-CD1 3.91Å; F207-L211 HydrophobicContact CE1-CD1 3.5Å; F207-L211 VanDerWaalsContact CE1-CD1 3.5Å; F207-L211 HydrophobicContact CE1-CG 4.17Å; F207-L211 HydrophobicContact CZ-CD1 3.97Å; F207-L211 HydrophobicContact CZ-CD2 4.44Å; F207-L211 HydrophobicContact CZ-CG 4.22Å; F207-L211 WeakPolarHBondContact O-CG 3.34Å; F207-L211 PolarHBondContact O-N 3.28Å; F207-V236 HydrophobicContact CE2-CB 4.32Å; F207-V236 HydrophobicContact CE2-CG1 3.7Å; F207-V236 HydrophobicContact CZ-CG1 4.39Å; F207-V236 WeakPolarHBondContact CZ-O 3.4Å; F207-L239 HydrophobicContact CB-CD2 4.39Å; F207-L239 HydrophobicContact CB-CG 4.22Å; F207-F242 HydrophobicContact CD2-CD2 4.08Å; F207-F242 AromaticContact CD2-CE2 3.61Å; F207-F242 HydrophobicContact CD2-CE2 3.61Å; F207-F242 HydrophobicContact CE2-CD2 4.17Å; F207-F242 AromaticContact CE2-CE2 3.53Å; F207-F242 HydrophobicContact CE2-CE2 3.53Å; F207-F242 HydrophobicContact CE2-CZ 4.36Å |
| 208 | E | 85.9 | Confident | 84.3 | Confident | 143 Ų | 143 | 63.9 Ų | 63.9 | 67% | 0.668 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -69.3 | -36.6 | 178.1 | -173.8 | 170.8 | -154.8 | 0 | 0 | 112.6 | S206 L211 T212 | S206-E208 PolarHBondContact O-N 3.35Å; S206-E208 PolarHBondContact OG-N 3Å; E208-L211 PolarHBondContact O-N 2.78Å; E208-T212 PolarHBondContact O-N 3.37Å; E208-T212 PolarHBondContact O-OG1 3.49Å |
| 209 | Q | 88.1 | Confident | 83.4 | Confident | 92 Ų | 92 | 65.9 Ų | 65.9 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 171.5 | -175.2 | 63.7 | 57.4 | 0 | 0 | 110.1 | S206 L211 T212 D213 | S206-Q209 PolarHBondContact O-N 3.21Å; Q209-L211 VanDerWaalsContact C-N 3.33Å; Q209-L211 PolarHBondContact O-N 2.94Å; Q209-T212 CarbonylContact O-C 3.59Å; Q209-T212 WeakPolarHBondContact O-CA 3.18Å; Q209-T212 VanDerWaalsContact O-CB 3.32Å; Q209-T212 WeakPolarHBondContact O-CB 3.47Å; Q209-T212 PolarHBondContact O-N 3.49Å; Q209-D213 PolarHBondContact NE2-OD1 2.93Å; Q209-D213 PolarHBondContact O-N 2.83Å |
| 210 | V | 87.5 | Confident | 82.5 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 179 | 171.5 | 0 | 0 | 0 | 0 | 112.2 | L199 A204 S206 F207 T212 I214 L239 F242 | L199-V210 HydrophobicContact CD1-CG1 3.93Å; L199-V210 HydrophobicContact CD2-CG1 3.74Å; L199-V210 HydrophobicContact CD2-CG2 4.38Å; A204-V210 HydrophobicContact CB-CG2 3.55Å; S206-V210 PolarHBondContact O-N 2.9Å; S206-V210 VanDerWaalsContact O-N 3.15Å; F207-V210 PolarHBondContact O-N 3.45Å; V210-T212 VanDerWaalsContact C-N 3.29Å; V210-T212 PolarHBondContact O-N 3.46Å; V210-I214 HydrophobicContact CG1-CD1 3.66Å; V210-I214 HydrophobicContact CG1-CG1 4.36Å; V210-I214 VanDerWaalsContact O-CB 3.27Å; V210-I214 WeakPolarHBondContact O-CB 3.36Å; V210-I214 WeakPolarHBondContact O-CD1 3.36Å; V210-I214 WeakPolarHBondContact O-CG1 3.4Å; V210-I214 PolarHBondContact O-N 2.98Å; V210-L239 HydrophobicContact CB-CD2 4.1Å; V210-L239 HydrophobicContact CG2-CD2 3.65Å; V210-F242 HydrophobicContact CB-CE2 4.25Å; V210-F242 HydrophobicContact CG1-CD2 4.1Å; V210-F242 HydrophobicContact CG1-CE1 4.11Å; V210-F242 HydrophobicContact CG1-CE2 3.47Å; V210-F242 VanDerWaalsContact CG1-CE2 3.47Å; V210-F242 HydrophobicContact CG1-CZ 3.45Å; V210-F242 VanDerWaalsContact CG1-CZ 3.45Å |
| 211 | L | 87.1 | Confident | 81.2 | Confident | 19 Ų | 19 | 72.4 Ų | 72.4 | 10% | 0.099 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.8 | -36.2 | 170.3 | -79 | 173.3 | 0 | 0 | 0 | 112.6 | F207 E208 Q209 T215 V225 L228 | F207-L211 HydrophobicContact CD1-CD1 3.91Å; F207-L211 HydrophobicContact CE1-CD1 3.5Å; F207-L211 VanDerWaalsContact CE1-CD1 3.5Å; F207-L211 HydrophobicContact CE1-CG 4.17Å; F207-L211 HydrophobicContact CZ-CD1 3.97Å; F207-L211 HydrophobicContact CZ-CD2 4.44Å; F207-L211 HydrophobicContact CZ-CG 4.22Å; F207-L211 WeakPolarHBondContact O-CG 3.34Å; F207-L211 PolarHBondContact O-N 3.28Å; E208-L211 PolarHBondContact O-N 2.78Å; Q209-L211 VanDerWaalsContact C-N 3.33Å; Q209-L211 PolarHBondContact O-N 2.94Å; L211-T215 WeakPolarHBondContact O-CB 3.46Å; L211-T215 PolarHBondContact O-N 3.3Å; L211-T215 PolarHBondContact O-OG1 2.99Å; L211-V225 HydrophobicContact CD2-CB 4.49Å; L211-V225 HydrophobicContact CD2-CG1 3.95Å; L211-L228 HydrophobicContact CD2-CD1 3.61Å; L211-L228 HydrophobicContact CD2-CG 4.09Å |
| 212 | T | 86.7 | Confident | 80.1 | Confident | 79 Ų | 79 | 71.6 Ų | 71.6 | 49% | 0.485 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.1 | -48.7 | 177.5 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | E208 Q209 V210 I214 T215 E216 | E208-T212 PolarHBondContact O-N 3.37Å; E208-T212 PolarHBondContact O-OG1 3.49Å; Q209-T212 CarbonylContact O-C 3.59Å; Q209-T212 WeakPolarHBondContact O-CA 3.18Å; Q209-T212 VanDerWaalsContact O-CB 3.32Å; Q209-T212 WeakPolarHBondContact O-CB 3.47Å; Q209-T212 PolarHBondContact O-N 3.49Å; V210-T212 VanDerWaalsContact C-N 3.29Å; V210-T212 PolarHBondContact O-N 3.46Å; T212-I214 VanDerWaalsContact C-N 3.31Å; T212-I214 PolarHBondContact O-N 3.08Å; T212-T215 VanDerWaalsContact O-CB 3.31Å; T212-T215 WeakPolarHBondContact O-CB 3.2Å; T212-T215 PolarHBondContact O-N 3.19Å; T212-T215 VanDerWaalsContact O-N 3.09Å; T212-E216 PolarHBondContact O-N 3.21Å |
| 213 | D | 86.7 | Confident | 79.6 | Confident | 63 Ų | 63 | 67.4 Ų | 67.4 | 34% | 0.337 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 176.2 | -56.3 | -13.1 | 0 | 0 | 0 | 111.1 | Q209 E216 A217 | Q209-D213 PolarHBondContact NE2-OD1 2.93Å; Q209-D213 PolarHBondContact O-N 2.83Å; D213-E216 PolarHBondContact O-N 2.79Å; D213-A217 WeakPolarHBondContact O-CB 3.18Å; D213-A217 PolarHBondContact O-N 3.34Å |
| 214 | I | 87.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.3 | -38 | 176.3 | -73.7 | 169.4 | 0 | 0 | 0 | 111.4 | I184 V197 V210 T212 A217 I218 L228 F242 | I184-I214 HydrophobicContact CB-CG2 4.35Å; I184-I214 HydrophobicContact CD1-CD1 3.99Å; I184-I214 HydrophobicContact CG1-CD1 4.28Å; I184-I214 HydrophobicContact CG1-CG1 4.28Å; I184-I214 HydrophobicContact CG1-CG2 3.97Å; I184-I214 HydrophobicContact CG2-CG2 3.83Å; V197-I214 HydrophobicContact CG1-CG1 4.18Å; V197-I214 HydrophobicContact CG2-CG1 4.39Å; V210-I214 HydrophobicContact CG1-CD1 3.66Å; V210-I214 HydrophobicContact CG1-CG1 4.36Å; V210-I214 VanDerWaalsContact O-CB 3.27Å; V210-I214 WeakPolarHBondContact O-CB 3.36Å; V210-I214 WeakPolarHBondContact O-CD1 3.36Å; V210-I214 WeakPolarHBondContact O-CG1 3.4Å; V210-I214 PolarHBondContact O-N 2.98Å; T212-I214 VanDerWaalsContact C-N 3.31Å; T212-I214 PolarHBondContact O-N 3.08Å; I214-A217 PolarHBondContact O-N 2.92Å; I214-I218 VanDerWaalsContact O-CG2 3.3Å; I214-I218 WeakPolarHBondContact O-CG2 3.43Å; I214-I218 PolarHBondContact O-N 3.37Å; I214-L228 HydrophobicContact CD1-CD1 3.83Å; I214-F242 HydrophobicContact CD1-CE1 3.54Å; I214-F242 HydrophobicContact CD1-CZ 3.53Å |
| 215 | T | 84.6 | Confident | 79.4 | Confident | 23 Ų | 23 | 67.3 Ų | 67.3 | 14% | 0.141 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 174.8 | -66.4 | 0 | 0 | 0 | 0 | 111 | L211 T212 A217 I218 K219 V224 V225 | L211-T215 WeakPolarHBondContact O-CB 3.46Å; L211-T215 PolarHBondContact O-N 3.3Å; L211-T215 PolarHBondContact O-OG1 2.99Å; T212-T215 VanDerWaalsContact O-CB 3.31Å; T212-T215 WeakPolarHBondContact O-CB 3.2Å; T212-T215 PolarHBondContact O-N 3.19Å; T212-T215 VanDerWaalsContact O-N 3.09Å; T215-A217 VanDerWaalsContact C-N 3.32Å; T215-A217 PolarHBondContact O-N 2.6Å; T215-I218 PolarHBondContact O-N 3.02Å; T215-K219 PolarHBondContact O-N 3.25Å; T215-V224 HydrophobicContact CG2-CB 4.19Å; T215-V224 HydrophobicContact CG2-CG1 4.19Å; T215-V225 WeakPolarHBondContact OG1-CB 3.48Å; T215-V225 WeakPolarHBondContact OG1-CG2 3.15Å; T215-V225 PolarHBondContact OG1-N 2.9Å |
| 216 | E | 83 | Confident | 79.5 | Confident | 140 Ų | 140 | 66.3 Ų | 66.3 | 65% | 0.654 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.8 | -37 | 177.6 | -166.2 | -172.4 | 160.6 | 0 | 0 | 111.8 | T212 D213 K219 | T212-E216 PolarHBondContact O-N 3.21Å; D213-E216 PolarHBondContact O-N 2.79Å; E216-K219 WeakPolarHBondContact O-CE 3.28Å; E216-K219 WeakPolarHBondContact O-CG 3.44Å |
| 217 | A | 82.5 | Confident | 79.3 | Confident | 44 Ų | 44 | 66.9 Ų | 66.9 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V195 V197 D213 I214 T215 | V195-A217 HydrophobicContact CG1-CB 4.14Å; V197-A217 HydrophobicContact CG2-CB 3.85Å; D213-A217 WeakPolarHBondContact O-CB 3.18Å; D213-A217 PolarHBondContact O-N 3.34Å; I214-A217 PolarHBondContact O-N 2.92Å; T215-A217 VanDerWaalsContact C-N 3.32Å; T215-A217 PolarHBondContact O-N 2.6Å |
| 218 | I | 79.8 | Confident | 79.3 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 10% | 0.097 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -90.9 | -23.6 | -174.8 | -157 | 164.7 | 0 | 0 | 0 | 114.5 | I184 R186 V195 I214 T215 L220 V225 A251 | I184-I218 HydrophobicContact CB-CD1 4.3Å; I184-I218 HydrophobicContact CG2-CD1 3.81Å; R186-I218 HydrophobicContact CB-CD1 4.11Å; V195-I218 HydrophobicContact CG2-CG1 4.15Å; I214-I218 VanDerWaalsContact O-CG2 3.3Å; I214-I218 WeakPolarHBondContact O-CG2 3.43Å; I214-I218 PolarHBondContact O-N 3.37Å; T215-I218 PolarHBondContact O-N 3.02Å; I218-L220 HydrophobicContact CD1-CD2 4.45Å; I218-L220 HydrophobicContact CG1-CD2 4.29Å; I218-L220 HydrophobicContact CG2-CD2 3.85Å; I218-L220 HydrophobicContact CG2-CG 3.92Å; I218-V225 HydrophobicContact CG2-CG2 4.03Å; I218-A251 HydrophobicContact CD1-CB 4.19Å |
| 219 | K | 71.3 | Confident | 79.2 | Confident | 154 Ų | 154 | 59.4 Ų | 59.4 | 67% | 0.67 | 31% | 0.31 | S | S | * | . | trans | 47.8 | 64.3 | 176.9 | -55.5 | -166.3 | 176.8 | -174.1 | 0 | 113.4 | T215 E216 E221 | T215-K219 PolarHBondContact O-N 3.25Å; E216-K219 WeakPolarHBondContact O-CE 3.28Å; E216-K219 WeakPolarHBondContact O-CG 3.44Å; K219-E221 PolarHBondContact O-N 2.77Å | ||
| 220 | L | 68.9 | Low | 79.1 | Confident | 21 Ų | 21 | 55 Ų | 55 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | trans | -64.9 | 129.3 | 171.7 | -50.4 | -177.1 | 0 | 0 | 0 | 109.9 | R186 I218 T222 G223 V225 | R186-L220 HydrophobicContact CB-CD2 4.05Å; R186-L220 HydrophobicContact CG-CD2 3.73Å; I218-L220 HydrophobicContact CD1-CD2 4.45Å; I218-L220 HydrophobicContact CG1-CD2 4.29Å; I218-L220 HydrophobicContact CG2-CD2 3.85Å; I218-L220 HydrophobicContact CG2-CG 3.92Å; L220-T222 PolarHBondContact O-N 2.99Å; L220-G223 WeakPolarHBondContact CB-O 3.36Å; L220-G223 PolarHBondContact O-N 2.82Å; L220-V225 HydrophobicContact CD1-CG2 3.91Å; L220-V225 HydrophobicContact CG-CG2 4.38Å | ||
| 221 | E | 58.8 | Low | 78.7 | Confident | 162 Ų | 162 | 57.7 Ų | 57.7 | 76% | 0.757 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -13.8 | 175.4 | -64.6 | 147.4 | 150.9 | 0 | 0 | 112.8 | R186 K219 | R186-E221 IonicContact CZ-OE2 3.03Å; R186-E221 IonicContact NH1-OE2 2.89Å; R186-E221 PolarHBondContact NH1-OE2 3.48Å; R186-E221 IonicContact NH2-OE2 3.3Å; R186-E221 PolarHBondContact NH2-OE2 2.96Å; K219-E221 PolarHBondContact O-N 2.77Å |
| 222 | T | 57.3 | Low | 78.2 | Confident | 71 Ų | 71 | 62 Ų | 62 | 44% | 0.436 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 6.8 | -176.1 | -43.8 | 0 | 0 | 0 | 0 | 112.9 | L220 P254 | L220-T222 PolarHBondContact O-N 2.99Å; T222-P254 HydrophobicContact CG2-CG 4.45Å; T222-P254 WeakPolarHBondContact O-CG 3.43Å |
| 223 | G | 67.7 | Low | 77.5 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | trans | 102.5 | -150.8 | 173 | 0 | 0 | 0 | 0 | 0 | 115.4 | L220 | L220-G223 WeakPolarHBondContact CB-O 3.36Å; L220-G223 PolarHBondContact O-N 2.82Å | ||
| 224 | V | 77.3 | Confident | 77.3 | Confident | 83 Ų | 83 | 62 Ų | 62 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | trans | -73.4 | 144.1 | -165.3 | -55.8 | 0 | 0 | 0 | 0 | 114.5 | T215 K226 G253 P254 | T215-V224 HydrophobicContact CG2-CB 4.19Å; T215-V224 HydrophobicContact CG2-CG1 4.19Å; V224-K226 HydrophobicContact CG2-CG 4.14Å; V224-K226 PolarHBondContact O-N 2.8Å; V224-G253 WeakPolarHBondContact O-CA 3.32Å; V224-P254 WeakPolarHBondContact O-CD 3.49Å | ||
| 225 | V | 79.8 | Confident | 77.1 | Confident | 6 Ų | 6 | 65.4 Ų | 65.4 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | trans | -69.6 | 116.3 | 170.5 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | L211 T215 I218 L220 K227 L228 A251 | L211-V225 HydrophobicContact CD2-CB 4.49Å; L211-V225 HydrophobicContact CD2-CG1 3.95Å; T215-V225 WeakPolarHBondContact OG1-CB 3.48Å; T215-V225 WeakPolarHBondContact OG1-CG2 3.15Å; T215-V225 PolarHBondContact OG1-N 2.9Å; I218-V225 HydrophobicContact CG2-CG2 4.03Å; L220-V225 HydrophobicContact CD1-CG2 3.91Å; L220-V225 HydrophobicContact CG-CG2 4.38Å; V225-K227 WeakPolarHBondContact CG1-O 3.36Å; V225-L228 HydrophobicContact CG1-CD2 4.46Å; V225-L228 HydrophobicContact CG1-CG 4.11Å; V225-A251 HydrophobicContact CG1-CB 3.86Å; V225-A251 HydrophobicContact CG2-CB 4Å | ||
| 226 | K | 76.9 | Confident | 77.2 | Confident | 140 Ų | 140 | 64.3 Ų | 64.3 | 61% | 0.609 | 33% | 0.334 | S | S | * | . | trans | -98.3 | -24.3 | -179.9 | -75.2 | -162.8 | 170.2 | -170.2 | 0 | 113.4 | V224 C252 P254 | V224-K226 HydrophobicContact CG2-CG 4.14Å; V224-K226 PolarHBondContact O-N 2.8Å; K226-C252 PolarHBondContact N-O 3.38Å; K226-P254 HydrophobicContact CD-CB 4.5Å | ||
| 227 | K | 81.4 | Confident | 77.1 | Confident | 65 Ų | 65 | 62.1 Ų | 62.1 | 28% | 0.283 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 149.1 | 176.2 | -67.3 | -169.1 | 174.3 | -161.3 | 0 | 110.7 | V225 Y229 Q235 C252 F257 | V225-K227 WeakPolarHBondContact CG1-O 3.36Å; K227-Y229 HydrophobicContact CB-CD2 4.43Å; K227-Y229 HydrophobicContact CB-CE2 3.72Å; K227-Y229 HydrophobicContact CD-CE2 4.14Å; K227-Y229 VanDerWaalsContact CD-OH 3.28Å; K227-Y229 WeakPolarHBondContact CD-OH 3.5Å; K227-Q235 HydrophobicContact CD-CG 4.31Å; K227-C252 HydrophobicContact CB-CB 4.39Å; K227-C252 PolarHBondContact N-O 2.81Å; K227-C252 VanDerWaalsContact N-O 3.15Å; K227-C252 PolarHBondContact O-N 3.32Å; K227-F257 HydrophobicContact CD-CZ 4Å |
| 228 | L | 86.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 149.1 | 166 | -78.4 | 156.6 | 0 | 0 | 0 | 108.9 | I184 L211 I214 V225 Q235 V236 F242 F249 I250 A251 | I184-L228 HydrophobicContact CD1-CD2 4.36Å; I184-L228 HydrophobicContact CG2-CD2 3.83Å; L211-L228 HydrophobicContact CD2-CD1 3.61Å; L211-L228 HydrophobicContact CD2-CG 4.09Å; I214-L228 HydrophobicContact CD1-CD1 3.83Å; V225-L228 HydrophobicContact CG1-CD2 4.46Å; V225-L228 HydrophobicContact CG1-CG 4.11Å; L228-Q235 WeakPolarHBondContact O-CG 3.49Å; L228-V236 HydrophobicContact CB-CB 3.97Å; L228-V236 HydrophobicContact CB-CG2 3.8Å; L228-V236 PolarHBondContact O-N 3.48Å; L228-F242 HydrophobicContact CD1-CE1 3.72Å; L228-F242 HydrophobicContact CD1-CE2 4.37Å; L228-F242 HydrophobicContact CD1-CZ 3.3Å; L228-F249 HydrophobicContact CD2-CB 3.97Å; L228-I250 WeakPolarHBondContact CA-O 3.41Å; L228-A251 HydrophobicContact CD2-CB 3.79Å |
| 229 | Y | 84 | Confident | 77.5 | Confident | 29 Ų | 29 | 63.6 Ų | 63.6 | 11% | 0.114 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 149.3 | 174.7 | -65.8 | -95.8 | 0 | 0 | 0 | 109.4 | K227 G233 K234 Q235 F249 I250 C252 F264 | K227-Y229 HydrophobicContact CB-CD2 4.43Å; K227-Y229 HydrophobicContact CB-CE2 3.72Å; K227-Y229 HydrophobicContact CD-CE2 4.14Å; K227-Y229 VanDerWaalsContact CD-OH 3.28Å; K227-Y229 WeakPolarHBondContact CD-OH 3.5Å; Y229-G233 WeakPolarHBondContact CD1-O 3.48Å; Y229-K234 CarbonylContact C-O 3.54Å; Y229-K234 WeakPolarHBondContact CA-O 3.37Å; Y229-Q235 HydrophobicContact CD1-CB 3.85Å; Y229-Q235 HydrophobicContact CD1-CG 4.09Å; Y229-Q235 HydrophobicContact CE1-CB 3.57Å; Y229-Q235 HydrophobicContact CE1-CG 3.67Å; Y229-Q235 HydrophobicContact CE2-CG 4.37Å; Y229-F249 CarbonylContact O-C 3.36Å; Y229-F249 WeakPolarHBondContact O-CA 3.36Å; Y229-F249 WeakPolarHBondContact O-CB 3.33Å; Y229-I250 PolarHBondContact N-O 2.88Å; Y229-I250 PolarHBondContact O-N 2.92Å; Y229-C252 HydrophobicContact CE2-CB 4.29Å; Y229-F264 HydrophobicContact CD1-CZ 4.3Å; Y229-F264 HydrophobicContact CG-CE1 4.28Å; Y229-F264 HydrophobicContact CG-CZ 4.25Å |
| 230 | T | 86.5 | Confident | 78 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 171.4 | 165.4 | 65.1 | 0 | 0 | 0 | 0 | 110.3 | D232 G233 K234 V236 D246 F249 | T230-D232 PolarHBondContact O-N 3.34Å; T230-D232 PolarHBondContact OG1-N 3.22Å; T230-G233 PolarHBondContact O-N 2.86Å; T230-K234 PolarHBondContact N-O 2.71Å; T230-K234 PolarHBondContact OG1-N 3.43Å; T230-V236 HydrophobicContact CG2-CG2 4.49Å; T230-D246 HydrophobicContact CG2-CB 4.05Å; T230-F249 HydrophobicContact CG2-CD1 3.98Å; T230-F249 HydrophobicContact CG2-CE1 3.78Å |
| 231 | L | 78.6 | Confident | 78.7 | Confident | 57 Ų | 57 | 64.6 Ų | 64.6 | 30% | 0.298 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.5 | 172.7 | -63.3 | -177.1 | 0 | 0 | 0 | 112.8 | G233 V248 I250 L266 | L231-G233 PolarHBondContact O-N 3.08Å; L231-V248 HydrophobicContact CD1-CB 3.88Å; L231-V248 HydrophobicContact CD1-CG1 3.92Å; L231-V248 HydrophobicContact CD1-CG2 4.47Å; L231-V248 HydrophobicContact CD2-CB 4.45Å; L231-V248 HydrophobicContact CD2-CG1 3.82Å; L231-V248 HydrophobicContact CG-CB 4.01Å; L231-V248 HydrophobicContact CG-CG1 3.93Å; L231-I250 HydrophobicContact CD2-CD1 4.13Å; L231-I250 HydrophobicContact CD2-CG1 4.22Å; L231-L266 HydrophobicContact CD1-CD1 4.36Å; L231-L266 HydrophobicContact CD2-CD1 3.59Å; L231-L266 HydrophobicContact CD2-CG 4.37Å |
| 232 | D | 75.6 | Confident | 79.8 | Confident | 110 Ų | 110 | 56.9 Ų | 56.9 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -1.9 | 173.3 | -69.8 | 0.7 | 0 | 0 | 0 | 113.5 | T230 K234 | T230-D232 PolarHBondContact O-N 3.34Å; T230-D232 PolarHBondContact OG1-N 3.22Å; D232-K234 VanDerWaalsContact C-N 3.26Å; D232-K234 HydrophobicContact CB-CD 4.23Å; D232-K234 HydrophobicContact CB-CG 4.1Å; D232-K234 PolarHBondContact O-N 3.31Å; D232-K234 VanDerWaalsContact OD2-CE 3.26Å; D232-K234 WeakPolarHBondContact OD2-CE 3.46Å; D232-K234 IonicContact OD2-NZ 2.6Å; D232-K234 PolarHBondContact OD2-NZ 3.42Å |
| 233 | G | 73.7 | Confident | 80.9 | Confident | 29 Ų | 29 | 55.6 Ų | 55.6 | 30% | 0.299 | 30% | 0.296 | S | S | . | . | trans | 75.1 | 7.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y229 T230 L231 | Y229-G233 WeakPolarHBondContact CD1-O 3.48Å; T230-G233 PolarHBondContact O-N 2.86Å; L231-G233 PolarHBondContact O-N 3.08Å | ||
| 234 | K | 81.5 | Confident | 81.5 | Confident | 113 Ų | 113 | 55.3 Ų | 55.3 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 133.6 | 172.7 | -56.6 | 169.3 | -164.4 | 148.3 | 0 | 108.9 | Y229 T230 D232 | Y229-K234 CarbonylContact C-O 3.54Å; Y229-K234 WeakPolarHBondContact CA-O 3.37Å; T230-K234 PolarHBondContact N-O 2.71Å; T230-K234 PolarHBondContact OG1-N 3.43Å; D232-K234 VanDerWaalsContact C-N 3.26Å; D232-K234 HydrophobicContact CB-CD 4.23Å; D232-K234 HydrophobicContact CB-CG 4.1Å; D232-K234 PolarHBondContact O-N 3.31Å; D232-K234 VanDerWaalsContact OD2-CE 3.26Å; D232-K234 WeakPolarHBondContact OD2-CE 3.46Å; D232-K234 IonicContact OD2-NZ 2.6Å; D232-K234 PolarHBondContact OD2-NZ 3.42Å |
| 235 | Q | 83.3 | Confident | 81.6 | Confident | 71 Ų | 71 | 59.5 Ų | 59.5 | 33% | 0.332 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 124.3 | 177.4 | -163 | -160.2 | -62.2 | 0 | 0 | 110.7 | K227 L228 Y229 T237 | K227-Q235 HydrophobicContact CD-CG 4.31Å; L228-Q235 WeakPolarHBondContact O-CG 3.49Å; Y229-Q235 HydrophobicContact CD1-CB 3.85Å; Y229-Q235 HydrophobicContact CD1-CG 4.09Å; Y229-Q235 HydrophobicContact CE1-CB 3.57Å; Y229-Q235 HydrophobicContact CE1-CG 3.67Å; Y229-Q235 HydrophobicContact CE2-CG 4.37Å; Q235-T237 PolarHBondContact O-N 3.24Å |
| 236 | V | 86.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 124.1 | 169 | -165.8 | 0 | 0 | 0 | 0 | 108.3 | F207 L228 T230 D241 F242 F249 | F207-V236 HydrophobicContact CE2-CB 4.32Å; F207-V236 HydrophobicContact CE2-CG1 3.7Å; F207-V236 HydrophobicContact CZ-CG1 4.39Å; F207-V236 WeakPolarHBondContact CZ-O 3.4Å; L228-V236 HydrophobicContact CB-CB 3.97Å; L228-V236 HydrophobicContact CB-CG2 3.8Å; L228-V236 PolarHBondContact O-N 3.48Å; T230-V236 HydrophobicContact CG2-CG2 4.49Å; V236-D241 WeakPolarHBondContact CA-OD2 3.15Å; V236-D241 HydrophobicContact CG1-CB 4.01Å; V236-D241 WeakPolarHBondContact CG1-OD2 3.48Å; V236-F242 HydrophobicContact CG1-CD2 4.04Å; V236-F242 HydrophobicContact CG1-CE2 4.14Å; V236-F242 HydrophobicContact CG1-CG 4.36Å; V236-F249 HydrophobicContact CG2-CD1 3.47Å; V236-F249 VanDerWaalsContact CG2-CD1 3.47Å; V236-F249 HydrophobicContact CG2-CE1 3.73Å |
| 237 | T | 81.6 | Confident | 82.3 | Confident | 94 Ų | 94 | 58.7 Ų | 58.7 | 58% | 0.577 | 31% | 0.314 | S | S | * | . | trans | -125.1 | -11.7 | -178.3 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | Q235 | Q235-T237 PolarHBondContact O-N 3.24Š| ||
| 238 | C | 84.7 | Confident | 82.5 | Confident | 54 Ų | 54 | 56.6 Ų | 56.6 | 37% | 0.365 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -149.8 | 164.8 | -175.6 | 69.9 | 0 | 0 | 0 | 0 | 111.9 | H240 D241 | C238-H240 VanDerWaalsContact C-N 3.26Å; C238-H240 PolarHBondContact O-N 3.44Å; C238-D241 PolarHBondContact O-N 2.86Å |
| 239 | L | 85.3 | Confident | 82.6 | Confident | 40 Ų | 40 | 56.6 Ų | 56.6 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66 | -24.6 | 178.2 | -72 | 176.2 | 0 | 0 | 0 | 114 | A204 F207 V210 D241 F242 F243 | A204-L239 HydrophobicContact CB-CD1 4.44Å; A204-L239 HydrophobicContact CB-CD2 4.15Å; A204-L239 WeakPolarHBondContact O-CD1 3.2Å; F207-L239 HydrophobicContact CB-CD2 4.39Å; F207-L239 HydrophobicContact CB-CG 4.22Å; V210-L239 HydrophobicContact CB-CD2 4.1Å; V210-L239 HydrophobicContact CG2-CD2 3.65Å; L239-D241 VanDerWaalsContact C-N 3.32Å; L239-D241 PolarHBondContact O-N 2.55Å; L239-F242 HydrophobicContact CD2-CD2 4.24Å; L239-F242 PolarHBondContact O-N 3.42Å; L239-F243 WeakPolarHBondContact O-CD2 3.49Å; L239-F243 PolarHBondContact O-N 3.13Å |
| 240 | H | 82.8 | Confident | 82.7 | Confident | 151 Ų | 151 | 55.4 Ų | 55.4 | 70% | 0.699 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.6 | -42.2 | 179.8 | -177 | 80.4 | 0 | 0 | 0 | 111.5 | C238 F242 F243 G244 | C238-H240 VanDerWaalsContact C-N 3.26Å; C238-H240 PolarHBondContact O-N 3.44Å; H240-F242 PolarHBondContact O-N 3.08Å; H240-F243 CarbonylContact O-C 3.55Å; H240-F243 WeakPolarHBondContact O-CA 3.03Å; H240-F243 PolarHBondContact O-N 3.17Å; H240-G244 PolarHBondContact O-N 2.82Å |
| 241 | D | 83.3 | Confident | 82.7 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.2 | -40.8 | -178.1 | -162.5 | 53.8 | 0 | 0 | 0 | 111.8 | V236 C238 L239 F243 G244 | V236-D241 WeakPolarHBondContact CA-OD2 3.15Å; V236-D241 HydrophobicContact CG1-CB 4.01Å; V236-D241 WeakPolarHBondContact CG1-OD2 3.48Å; C238-D241 PolarHBondContact O-N 2.86Å; L239-D241 VanDerWaalsContact C-N 3.32Å; L239-D241 PolarHBondContact O-N 2.55Å; D241-F243 PolarHBondContact O-N 2.81Å; D241-G244 PolarHBondContact O-N 2.84Å |
| 242 | F | 81.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.9 | -33 | 168.9 | -83.2 | -67.6 | 0 | 0 | 0 | 114 | K180 L199 F207 V210 I214 L228 V236 L239 H240 F249 | K180-F242 WeakPolarHBondContact CD-O 3.42Å; K180-F242 WeakPolarHBondContact CE-O 3.26Å; K180-F242 PolarHBondContact NZ-O 2.7Å; L199-F242 HydrophobicContact CD1-CB 4.28Å; L199-F242 HydrophobicContact CD1-CD1 3.66Å; L199-F242 HydrophobicContact CD1-CE1 4.02Å; L199-F242 HydrophobicContact CD1-CG 4.06Å; F207-F242 HydrophobicContact CD2-CD2 4.08Å; F207-F242 AromaticContact CD2-CE2 3.61Å; F207-F242 HydrophobicContact CD2-CE2 3.61Å; F207-F242 HydrophobicContact CE2-CD2 4.17Å; F207-F242 AromaticContact CE2-CE2 3.53Å; F207-F242 HydrophobicContact CE2-CE2 3.53Å; F207-F242 HydrophobicContact CE2-CZ 4.36Å; V210-F242 HydrophobicContact CB-CE2 4.25Å; V210-F242 HydrophobicContact CG1-CD2 4.1Å; V210-F242 HydrophobicContact CG1-CE1 4.11Å; V210-F242 HydrophobicContact CG1-CE2 3.47Å; V210-F242 VanDerWaalsContact CG1-CE2 3.47Å; V210-F242 HydrophobicContact CG1-CZ 3.45Å; V210-F242 VanDerWaalsContact CG1-CZ 3.45Å; I214-F242 HydrophobicContact CD1-CE1 3.54Å; I214-F242 HydrophobicContact CD1-CZ 3.53Å; L228-F242 HydrophobicContact CD1-CE1 3.72Å; L228-F242 HydrophobicContact CD1-CE2 4.37Å; L228-F242 HydrophobicContact CD1-CZ 3.3Å; V236-F242 HydrophobicContact CG1-CD2 4.04Å; V236-F242 HydrophobicContact CG1-CE2 4.14Å; V236-F242 HydrophobicContact CG1-CG 4.36Å; L239-F242 HydrophobicContact CD2-CD2 4.24Å; L239-F242 PolarHBondContact O-N 3.42Å; H240-F242 PolarHBondContact O-N 3.08Å; F242-F249 HydrophobicContact CD1-CD2 4.47Å; F242-F249 HydrophobicContact CD1-CE2 4.15Å; F242-F249 HydrophobicContact CD1-CZ 4.19Å |
| 243 | F | 80.8 | Confident | 82.5 | Confident | 45 Ų | 45 | 49.7 Ų | 49.7 | 20% | 0.197 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 6 | -178.9 | -67.8 | -65.6 | 0 | 0 | 0 | 113.7 | K180 L199 K201 A204 L239 H240 D241 | K180-F243 HydrophobicContact CB-CD1 4.13Å; K180-F243 HydrophobicContact CB-CE1 4.17Å; K180-F243 HydrophobicContact CD-CD1 4.25Å; L199-F243 HydrophobicContact CB-CE1 4.06Å; L199-F243 HydrophobicContact CB-CZ 3.99Å; K201-F243 HydrophobicContact CB-CD1 4.47Å; K201-F243 HydrophobicContact CB-CD2 4.29Å; K201-F243 HydrophobicContact CB-CE1 4.12Å; K201-F243 HydrophobicContact CB-CE2 3.93Å; K201-F243 HydrophobicContact CB-CZ 3.85Å; K201-F243 HydrophobicContact CG-CD2 4.03Å; K201-F243 HydrophobicContact CG-CE2 3.97Å; K201-F243 HydrophobicContact CG-CZ 4.4Å; K201-F243 VanDerWaalsContact N-CZ 3.35Å; A204-F243 HydrophobicContact CB-CE2 4.13Å; A204-F243 HydrophobicContact CB-CZ 4.22Å; L239-F243 WeakPolarHBondContact O-CD2 3.49Å; L239-F243 PolarHBondContact O-N 3.13Å; H240-F243 CarbonylContact O-C 3.55Å; H240-F243 WeakPolarHBondContact O-CA 3.03Å; H240-F243 PolarHBondContact O-N 3.17Å; D241-F243 PolarHBondContact O-N 2.81Å |
| 244 | G | 80 | Confident | 82 | Confident | 30 Ų | 30 | 51.5 Ų | 51.5 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -74.8 | -154.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | K180 H240 D241 | K180-G244 PolarHBondContact NZ-O 2.88Å; H240-G244 PolarHBondContact O-N 2.82Å; D241-G244 PolarHBondContact O-N 2.84Å |
| 245 | D | 79.5 | Confident | 80.8 | Confident | 170 Ų | 170 | 51.9 Ų | 51.9 | 91% | 0.909 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -77.4 | -17.4 | -177.7 | -61.3 | -56.7 | 0 | 0 | 0 | 114 | ||
| 246 | D | 84.6 | Confident | 79.1 | Confident | 47 Ų | 47 | 57 Ų | 57 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | trans | -79.9 | 122.5 | -177.4 | -86 | -58.2 | 0 | 0 | 0 | 113.1 | K180 T230 F249 | K180-D246 WeakPolarHBondContact CE-O 3.33Å; K180-D246 PolarHBondContact NZ-O 3.15Å; T230-D246 HydrophobicContact CG2-CB 4.05Å; D246-F249 HydrophobicContact CB-CE1 4.19Å; D246-F249 HydrophobicContact CB-CZ 3.99Å; D246-F249 WeakPolarHBondContact O-CE2 3.28Å; D246-F249 VanDerWaalsContact O-CZ 3.23Å; D246-F249 WeakPolarHBondContact O-CZ 3.41Å | ||
| 247 | D | 85.6 | Confident | 77.3 | Confident | 82 Ų | 82 | 64.4 Ų | 64.4 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | trans | -102 | -4.7 | 177.8 | -85.7 | -31.8 | 0 | 0 | 0 | 113.8 | K180 V182 T183 | K180-D247 WeakPolarHBondContact CE-OD1 3.2Å; K180-D247 IonicContact NZ-OD1 3.25Å; V182-D247 CarbonylContact C-O 3.46Å; V182-D247 WeakPolarHBondContact CA-O 3.39Å; T183-D247 PolarHBondContact N-O 3.09Å | ||
| 248 | V | 86.6 | Confident | 75.6 | Confident | 21 Ų | 21 | 70.1 Ų | 70.1 | 13% | 0.127 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 128.5 | -172.3 | -171.1 | 0 | 0 | 0 | 0 | 111.4 | T183 I185 L231 | T183-V248 WeakPolarHBondContact O-CA 3.27Å; I185-V248 HydrophobicContact CD1-CG1 3.73Å; I185-V248 HydrophobicContact CG1-CG1 4.3Å; L231-V248 HydrophobicContact CD1-CB 3.88Å; L231-V248 HydrophobicContact CD1-CG1 3.92Å; L231-V248 HydrophobicContact CD1-CG2 4.47Å; L231-V248 HydrophobicContact CD2-CB 4.45Å; L231-V248 HydrophobicContact CD2-CG1 3.82Å; L231-V248 HydrophobicContact CG-CB 4.01Å; L231-V248 HydrophobicContact CG-CG1 3.93Å |
| 249 | F | 88.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 148 | -174.4 | -54.7 | -88.6 | 0 | 0 | 0 | 112 | V182 T183 I184 I185 L228 Y229 T230 V236 F242 D246 | V182-F249 HydrophobicContact CB-CD2 4.08Å; V182-F249 HydrophobicContact CB-CE2 3.94Å; V182-F249 HydrophobicContact CG1-CD2 4.41Å; V182-F249 HydrophobicContact CG1-CE2 3.77Å; T183-F249 PolarHBondContact O-N 2.93Å; I184-F249 CarbonylContact C-O 3.49Å; I184-F249 WeakPolarHBondContact CA-O 3.41Å; I184-F249 HydrophobicContact CD1-CB 3.94Å; I184-F249 HydrophobicContact CD1-CD2 4.03Å; I184-F249 HydrophobicContact CD1-CG 4.38Å; I185-F249 PolarHBondContact N-O 2.71Å; L228-F249 HydrophobicContact CD2-CB 3.97Å; Y229-F249 CarbonylContact O-C 3.36Å; Y229-F249 WeakPolarHBondContact O-CA 3.36Å; Y229-F249 WeakPolarHBondContact O-CB 3.33Å; T230-F249 HydrophobicContact CG2-CD1 3.98Å; T230-F249 HydrophobicContact CG2-CE1 3.78Å; V236-F249 HydrophobicContact CG2-CD1 3.47Å; V236-F249 VanDerWaalsContact CG2-CD1 3.47Å; V236-F249 HydrophobicContact CG2-CE1 3.73Å; F242-F249 HydrophobicContact CD1-CD2 4.47Å; F242-F249 HydrophobicContact CD1-CE2 4.15Å; F242-F249 HydrophobicContact CD1-CZ 4.19Å; D246-F249 HydrophobicContact CB-CE1 4.19Å; D246-F249 HydrophobicContact CB-CZ 3.99Å; D246-F249 WeakPolarHBondContact O-CE2 3.28Å; D246-F249 VanDerWaalsContact O-CZ 3.23Å; D246-F249 WeakPolarHBondContact O-CZ 3.41Å |
| 250 | I | 85.9 | Confident | 72.4 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.4 | 177.6 | -61.9 | 167.3 | 0 | 0 | 0 | 108.8 | I185 L228 Y229 L231 F264 | I185-I250 WeakPolarHBondContact O-CA 3.47Å; L228-I250 WeakPolarHBondContact CA-O 3.41Å; Y229-I250 PolarHBondContact N-O 2.88Å; Y229-I250 PolarHBondContact O-N 2.92Å; L231-I250 HydrophobicContact CD2-CD1 4.13Å; L231-I250 HydrophobicContact CD2-CG1 4.22Å; I250-F264 HydrophobicContact CD1-CD1 3.75Å; I250-F264 HydrophobicContact CD1-CE1 4.05Å |
| 251 | A | 86.8 | Confident | 70.8 | Confident | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 116.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I184 I185 S187 I218 V225 L228 | I184-A251 HydrophobicContact CG2-CB 3.6Å; I185-A251 PolarHBondContact O-N 2.8Å; S187-A251 WeakPolarHBondContact CB-O 3.38Å; S187-A251 PolarHBondContact N-O 3.32Å; S187-A251 VanDerWaalsContact N-O 3.08Å; I218-A251 HydrophobicContact CD1-CB 4.19Å; V225-A251 HydrophobicContact CG1-CB 3.86Å; V225-A251 HydrophobicContact CG2-CB 4Å; L228-A251 HydrophobicContact CD2-CB 3.79Å |
| 252 | C | 78.3 | Confident | 69.2 | Low | 29 Ų | 29 | 80.1 Ų | 80.1 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 119.4 | 175.8 | -60.8 | 0 | 0 | 0 | 0 | 110.2 | K226 K227 Y229 | K226-C252 PolarHBondContact N-O 3.38Å; K227-C252 HydrophobicContact CB-CB 4.39Å; K227-C252 PolarHBondContact N-O 2.81Å; K227-C252 VanDerWaalsContact N-O 3.15Å; K227-C252 PolarHBondContact O-N 3.32Å; Y229-C252 HydrophobicContact CE2-CB 4.29Å |
| 253 | G | 72.2 | Confident | 67.8 | Low | 18 Ų | 18 | 80.8 Ų | 80.8 | 19% | 0.186 | 40% | 0.404 | C | S | . | . | trans | -78 | -159.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V224 E255 | V224-G253 WeakPolarHBondContact O-CA 3.32Å; G253-E255 PolarHBondContact O-N 2.95Å; G253-E255 VanDerWaalsContact O-N 3.13Å | ||
| 254 | P | 61.8 | Low | 66.4 | Low | 67 Ų | 67 | 81.5 Ų | 81.5 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -76.6 | 15 | 173.4 | 35.2 | -37.1 | 0 | 0 | 0 | 113.4 | T222 V224 K226 | T222-P254 HydrophobicContact CG2-CG 4.45Å; T222-P254 WeakPolarHBondContact O-CG 3.43Å; V224-P254 WeakPolarHBondContact O-CD 3.49Å; K226-P254 HydrophobicContact CD-CB 4.5Å |
| 255 | E | 57.3 | Low | 64.8 | Low | 121 Ų | 121 | 83.3 Ų | 83.3 | 57% | 0.565 | 42% | 0.416 | S | S | * | . | trans | -70.1 | 149.8 | 177.5 | -136.5 | 179.5 | 148.6 | 0 | 0 | 111 | G253 | G253-E255 PolarHBondContact O-N 2.95Å; G253-E255 VanDerWaalsContact O-N 3.13Å | ||
| 256 | K | 48.1 | Very low | 63.4 | Low | 177 Ų | 177 | 76.6 Ų | 76.6 | 77% | 0.77 | 38% | 0.38 | S | S | * | . | trans | -73.9 | 137.5 | -167.4 | -58.3 | 177.2 | -172.8 | 179.2 | 0 | 109.8 | R258 | K256-R258 VanDerWaalsContact C-N 3.25Å; K256-R258 PolarHBondContact O-N 2.99Å | ||
| 257 | F | 48.8 | Very low | 61.4 | Low | 157 Ų | 157 | 78 Ų | 78 | 69% | 0.689 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -60.6 | 73.2 | 180 | -77.9 | -96.9 | 0 | 0 | 0 | 113.2 | K227 | K227-F257 HydrophobicContact CD-CZ 4Š|
| 258 | R | 46.2 | Very low | 59.3 | Low | 214 Ų | 214 | 80.6 Ų | 80.6 | 81% | 0.808 | 40% | 0.397 | S | S | * | . | trans | -126.4 | -10.8 | -176.1 | -99.9 | -175.1 | -178.1 | 162.5 | 2.2 | 116 | K256 | K256-R258 VanDerWaalsContact C-N 3.25Å; K256-R258 PolarHBondContact O-N 2.99Å | ||
| 259 | Y | 52 | Low | 57.3 | Low | 161 Ų | 161 | 85.5 Ų | 85.5 | 63% | 0.631 | 42% | 0.422 | S | S | * | . | trans | -121.2 | 26.8 | 179.9 | -77.6 | -72.8 | 0 | 0 | 0 | 113.4 | Q261 D263 | Y259-Q261 PolarHBondContact O-N 3.41Å; Y259-D263 WeakPolarHBondContact O-CB 3.3Å; Y259-D263 PolarHBondContact O-N 3.03Å | ||
| 260 | A | 50.8 | Low | 55.3 | Low | 63 Ų | 63 | 87.2 Ų | 87.2 | 52% | 0.521 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 26.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F264 | A260-F264 HydrophobicContact CB-CE2 4.25Å; A260-F264 WeakPolarHBondContact O-CD2 3.45Å |
| 261 | Q | 47.6 | Very low | 53.5 | Low | 170 Ų | 170 | 89.5 Ų | 89.5 | 79% | 0.794 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131 | -55.1 | 168.7 | -68.8 | -167.1 | -75.5 | 0 | 0 | 111.2 | Y259 D263 F264 | Y259-Q261 PolarHBondContact O-N 3.41Å; Q261-D263 PolarHBondContact O-N 2.86Å; Q261-F264 PolarHBondContact O-N 3.46Å |
| 262 | D | 50.4 | Low | 51.7 | Low | 106 Ų | 106 | 97 Ų | 97 | 57% | 0.567 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -17.7 | -177.9 | -54.7 | -78.2 | 0 | 0 | 0 | 114.9 | R192 S265 | R192-D262 PolarHBondContact NH2-O 2.98Å; D262-S265 PolarHBondContact O-OG 3.44Å |
| 263 | D | 53.3 | Low | 50.5 | Low | 13 Ų | 13 | 101.5 Ų | 101.5 | 7% | 0.07 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -20.2 | -178.4 | -126.8 | 31.4 | 0 | 0 | 0 | 113.8 | S187 G188 R192 Y259 Q261 | S187-D263 WeakPolarHBondContact CA-OD2 3.04Å; S187-D263 WeakPolarHBondContact CB-OD2 3.42Å; S187-D263 PolarHBondContact OG-OD2 2.77Å; G188-D263 PolarHBondContact N-OD1 3.38Å; G188-D263 PolarHBondContact N-OD2 2.82Å; R192-D263 IonicContact CZ-OD1 3.39Å; R192-D263 IonicContact NE-OD1 2.67Å; R192-D263 PolarHBondContact NE-OD1 3.43Å; R192-D263 IonicContact NH2-OD1 3.5Å; R192-D263 PolarHBondContact NH2-OD1 3.15Å; Y259-D263 WeakPolarHBondContact O-CB 3.3Å; Y259-D263 PolarHBondContact O-N 3.03Å; Q261-D263 PolarHBondContact O-N 2.86Å |
| 264 | F | 50.3 | Low | 49.7 | Very low | 60 Ų | 60 | 103.4 Ų | 103.4 | 26% | 0.263 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -24.1 | 176.3 | -64.5 | -67.6 | 0 | 0 | 0 | 112.7 | Y229 I250 A260 Q261 L266 | Y229-F264 HydrophobicContact CD1-CZ 4.3Å; Y229-F264 HydrophobicContact CG-CE1 4.28Å; Y229-F264 HydrophobicContact CG-CZ 4.25Å; I250-F264 HydrophobicContact CD1-CD1 3.75Å; I250-F264 HydrophobicContact CD1-CE1 4.05Å; A260-F264 HydrophobicContact CB-CE2 4.25Å; A260-F264 WeakPolarHBondContact O-CD2 3.45Å; Q261-F264 PolarHBondContact O-N 3.46Å; F264-L266 PolarHBondContact O-N 3.46Å |
| 265 | S | 47.3 | Very low | 49.1 | Very low | 69 Ų | 69 | 107.9 Ų | 107.9 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | trans | -72.6 | 89.9 | 165.7 | 45.3 | 0 | 0 | 0 | 0 | 110.8 | D262 | D262-S265 PolarHBondContact O-OG 3.44Š| ||
| 266 | L | 48.8 | Very low | 48.2 | Very low | 29 Ų | 29 | 105.4 Ų | 105.4 | 15% | 0.152 | 52% | 0.524 | C | S | . | . | trans | -76.5 | 126.4 | 157.6 | -65.9 | -174.3 | 0 | 0 | 0 | 109.1 | I185 L231 F264 C271 | I185-L266 HydrophobicContact CD1-CD1 3.87Å; L231-L266 HydrophobicContact CD1-CD1 4.36Å; L231-L266 HydrophobicContact CD2-CD1 3.59Å; L231-L266 HydrophobicContact CD2-CG 4.37Å; F264-L266 PolarHBondContact O-N 3.46Å; L266-C271 VanDerWaalsContact CB-SG 3.6Å | ||
| 267 | D | 42.2 | Very low | 47.8 | Very low | 76 Ų | 76 | 104 Ų | 104 | 41% | 0.406 | 53% | 0.525 | S | S | . | . | trans | -58.6 | 146.3 | 173.9 | -43.8 | -45.3 | 0 | 0 | 0 | 109.6 | K190 N269 E270 C271 | K190-D267 IonicContact NZ-OD1 2.71Å; K190-D267 IonicContact NZ-OD2 3.45Å; K190-D267 PolarHBondContact NZ-OD2 3.44Å; D267-N269 PolarHBondContact O-N 3.29Å; D267-E270 PolarHBondContact O-N 2.7Å; D267-C271 PolarHBondContact O-N 2.96Å | ||
| 268 | E | 42.8 | Very low | 47.3 | Very low | 137 Ų | 137 | 101.9 Ų | 101.9 | 64% | 0.64 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -56.3 | -26.4 | 179.7 | -158.6 | -165.3 | 98.4 | 0 | 0 | 112.2 | R272 | E268-R272 WeakPolarHBondContact O-CB 3.4Å; E268-R272 PolarHBondContact O-N 2.93Å; E268-R272 IonicContact OE1-CZ 3.8Å; E268-R272 IonicContact OE1-NH2 3.73Å; E268-R272 PolarHBondContact OE1-NH2 2.94Å |
| 269 | N | 43.6 | Very low | 46.7 | Very low | 123 Ų | 123 | 97.2 Ų | 97.2 | 66% | 0.658 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.3 | -39.5 | 172.5 | -68.4 | 87 | 0 | 0 | 0 | 114.2 | D267 V273 | D267-N269 PolarHBondContact O-N 3.29Å; N269-V273 WeakPolarHBondContact O-CG2 3.31Å; N269-V273 PolarHBondContact O-N 3.39Å |
| 270 | E | 47.7 | Very low | 46.1 | Very low | 37 Ų | 37 | 93.9 Ų | 93.9 | 17% | 0.173 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -69.1 | -46.5 | 177.7 | -78.5 | -168.4 | 148.6 | 0 | 0 | 110.4 | K190 R192 D267 R272 V273 M274 | K190-E270 WeakPolarHBondContact CE-OE1 3.33Å; R192-E270 IonicContact NH1-OE2 3.48Å; R192-E270 PolarHBondContact NH1-OE2 2.98Å; D267-E270 PolarHBondContact O-N 2.7Å; E270-R272 PolarHBondContact O-N 3.47Å; E270-V273 PolarHBondContact O-N 2.67Å; E270-M274 HydrophobicContact CB-CE 3.88Å; E270-M274 HydrophobicContact CG-CE 4.29Å; E270-M274 WeakPolarHBondContact O-CG 3.01Å; E270-M274 PolarHBondContact O-N 3.13Å |
| 271 | C | 47.5 | Very low | 45.2 | Very low | 51 Ų | 51 | 97.4 Ų | 97.4 | 35% | 0.345 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -53.2 | -40.5 | 175 | -74.3 | 0 | 0 | 0 | 0 | 112.9 | L266 D267 M274 K275 | L266-C271 VanDerWaalsContact CB-SG 3.6Å; D267-C271 PolarHBondContact O-N 2.96Å; C271-M274 PolarHBondContact O-N 2.99Å; C271-K275 PolarHBondContact O-N 2.73Å |
| 272 | R | 49.2 | Very low | 44.5 | Very low | 158 Ų | 158 | 94.7 Ų | 94.7 | 60% | 0.596 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73.8 | -22.8 | -179.4 | -166.4 | -177.9 | -64.8 | -106.6 | 5.8 | 114 | E268 E270 | E268-R272 WeakPolarHBondContact O-CB 3.4Å; E268-R272 PolarHBondContact O-N 2.93Å; E268-R272 IonicContact OE1-CZ 3.8Å; E268-R272 IonicContact OE1-NH2 3.73Å; E268-R272 PolarHBondContact OE1-NH2 2.94Å; E270-R272 PolarHBondContact O-N 3.47Å |
| 273 | V | 52.7 | Low | 43.4 | Very low | 124 Ų | 124 | 93 Ų | 93 | 75% | 0.752 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -79.7 | -29.1 | 172.4 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | N269 E270 | N269-V273 WeakPolarHBondContact O-CG2 3.31Å; N269-V273 PolarHBondContact O-N 3.39Å; E270-V273 PolarHBondContact O-N 2.67Å |
| 274 | M | 55.5 | Low | 42.8 | Very low | 58 Ų | 58 | 98 Ų | 98 | 29% | 0.286 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -91.7 | -35.8 | -173.2 | -61.3 | 168.7 | -163.8 | 0 | 0 | 112.8 | I185 E270 C271 G276 | I185-M274 HydrophobicContact CD1-SD 3.86Å; E270-M274 HydrophobicContact CB-CE 3.88Å; E270-M274 HydrophobicContact CG-CE 4.29Å; E270-M274 WeakPolarHBondContact O-CG 3.01Å; E270-M274 PolarHBondContact O-N 3.13Å; C271-M274 PolarHBondContact O-N 2.99Å; M274-G276 PolarHBondContact O-N 3.04Å |
| 275 | K | 48 | Very low | 41.8 | Very low | 161 Ų | 161 | 105 Ų | 105 | 70% | 0.7 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -88.5 | 95.3 | 165.8 | -93.9 | 178 | 174 | 169.2 | 0 | 110.4 | C271 N277 | C271-K275 PolarHBondContact O-N 2.73Å; K275-N277 PolarHBondContact O-N 3.41Å |
| 276 | G | 38.7 | Very low | 41 | Very low | 69 Ų | 69 | 107 Ų | 107 | 71% | 0.711 | 65% | 0.646 | S | S | * | * | trans | -56.7 | 132.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | M274 P278 | M274-G276 PolarHBondContact O-N 3.04Å; G276-P278 WeakPolarHBondContact O-CD 3.34Å | ||
| 277 | N | 39.4 | Very low | 40.1 | Very low | 148 Ų | 148 | 110.7 Ų | 110.7 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | trans | -40.5 | 118.2 | -166.8 | -71.7 | 6.1 | 0 | 0 | 0 | 116.1 | K275 | K275-N277 PolarHBondContact O-N 3.41Š| ||
| 278 | P | 38.6 | Very low | 39.8 | Very low | 112 Ų | 112 | 113 Ų | 113 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 148.9 | 139 | 32.5 | -31.6 | 0 | 0 | 0 | 109.9 | G276 | G276-P278 WeakPolarHBondContact O-CD 3.34Š|
| 279 | S | 34.1 | Very low | 39.4 | Very low | 116 Ų | 116 | 112.7 Ų | 112.7 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 146 | 177 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 280 | A | 39 | Very low | 39.4 | Very low | 91 Ų | 91 | 112.1 Ų | 112.1 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 142 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 281 | T | 31.8 | Very low | 38.7 | Very low | 138 Ų | 138 | 119.9 Ų | 119.9 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | trans | -136.5 | 138.8 | 160.4 | 40.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 282 | A | 33.3 | Very low | 37.9 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | trans | -73.7 | 140.6 | 179 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 283 | G | 27.1 | Very low | 37 | Very low | 70 Ų | 70 | 126 Ų | 126 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | 134.9 | -166.8 | 54.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 284 | P | 41.5 | Very low | 36.1 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | cis | -130.9 | 166.6 | -6.4 | 41.8 | -26.5 | 0 | 0 | 0 | 115.3 | ||||
| 285 | K | 28.8 | Very low | 35.1 | Very low | 209 Ų | 209 | 128 Ų | 128 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | 48.7 | 110.1 | 150.5 | -66.5 | 176.3 | -179 | -179 | 0 | 120.8 | ||||
| 286 | A | 29.9 | Very low | 34.4 | Very low | 109 Ų | 109 | 130 Ų | 130 | 90% | 0.901 | 82% | 0.823 | S | S | * | * | -142.7 | 151 | 129.5 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 287 | S | 31.1 | Very low | 34.4 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | trans | -128 | 157.1 | 176 | 59.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 288 | P | 35.8 | Very low | 34.6 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | -135.1 | -179.9 | 91.4 | 26.8 | -8 | 0 | 0 | 0 | 113.9 | |||||
| 289 | T | 34.8 | Very low | 34.7 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | trans | -118.8 | -166 | -175.9 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 290 | P | 42.2 | Very low | 34.9 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | -125.1 | 169.2 | -94.9 | 38.2 | -21.9 | 0 | 0 | 0 | 114.1 | |||||
| 291 | Q | 33.1 | Very low | 34.7 | Very low | 199 Ų | 199 | 135 Ų | 135 | 93% | 0.93 | 84% | 0.84 | S | S | * | * | trans | -124.4 | 151.6 | 158.9 | -72.9 | -156.1 | -18.7 | 0 | 0 | 112.2 | ||||
| 292 | K | 31.5 | Very low | 34.8 | Very low | 209 Ų | 209 | 140.2 Ų | 140.2 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | trans | -96.8 | 134.2 | -170.9 | -63 | 171.2 | 178.7 | 173.3 | 0 | 111.2 | ||||
| 293 | S | 30.4 | Very low | 34.9 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 90% | 0.902 | 85% | 0.845 | S | S | * | * | trans | -147.8 | 149.7 | 144.3 | 62.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 294 | S | 32.9 | Very low | 35.3 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | trans | -124.9 | 128.9 | -167.3 | 56.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 295 | A | 34.3 | Very low | 35 | Very low | 106 Ų | 106 | 152.3 Ų | 152.3 | 88% | 0.876 | 85% | 0.85 | S | S | * | * | trans | -158.6 | 147.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 296 | K | 34.9 | Very low | 35.4 | Very low | 203 Ų | 203 | 147.8 Ų | 147.8 | 88% | 0.883 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 154.4 | -177.2 | -65.7 | 161.2 | 173.5 | 172.2 | 0 | 113.7 | ||
| 297 | S | 38.4 | Very low | 36.2 | Very low | 118 Ų | 118 | 148.8 Ų | 148.8 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -67 | 151 | 169.8 | -29 | 0 | 0 | 0 | 0 | 113.5 | ||
| 298 | P | 44 | Very low | 36.2 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 83% | 0.831 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 139.3 | 157.9 | 8.4 | 10.9 | 0 | 0 | 0 | 111.8 | ||
| 299 | G | 40.4 | Very low | 35.9 | Very low | 64 Ų | 64 | 149.9 Ų | 149.9 | 66% | 0.66 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 173.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 300 | P | 38 | Very low | 35.9 | Very low | 137 Ų | 137 | 149 Ų | 149 | 89% | 0.89 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 128.8 | -173 | 30 | -35 | 0 | 0 | 0 | 113.4 | R302 | P300-R302 PolarHBondContact O-N 3.18Š|
| 301 | M | 33.8 | Very low | 35.3 | Very low | 193 Ų | 193 | 147 Ų | 147 | 95% | 0.951 | 85% | 0.846 | S | S | * | * | trans | -81.5 | 112.8 | 174.2 | -80.4 | 177 | 58.7 | 0 | 0 | 112.5 | ||||
| 302 | R | 35.7 | Very low | 35.3 | Very low | 248 Ų | 248 | 144.5 Ų | 144.5 | 94% | 0.936 | 84% | 0.839 | S | S | * | * | trans | -110.4 | 110.1 | 157 | -103.5 | -172.6 | 166.1 | -153.9 | -1.7 | 109.1 | P300 | P300-R302 PolarHBondContact O-N 3.18Š| ||
| 303 | R | 33.5 | Very low | 35.4 | Very low | 249 Ų | 249 | 140.1 Ų | 140.1 | 94% | 0.94 | 83% | 0.825 | S | S | * | * | trans | -164.6 | 148 | 137.2 | -134.6 | 168.2 | 179.5 | 146.2 | -0.1 | 113.4 | ||||
| 304 | S | 36.1 | Very low | 35.5 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | -77.6 | 163.5 | 165.5 | 48.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 305 | K | 35.2 | Very low | 35.5 | Very low | 204 Ų | 204 | 142.4 Ų | 142.4 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | -160.4 | 134.4 | 147.5 | -110.2 | 176.1 | -177.9 | -172.8 | 0 | 110.2 | ||||
| 306 | S | 37 | Very low | 35.5 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -101 | 154.6 | 164.2 | -42.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 307 | P | 46.7 | Very low | 35.4 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | trans | -83.9 | 165.2 | 146.8 | 4.8 | 15.9 | 0 | 0 | 0 | 110 | ||||
| 308 | A | 32 | Very low | 35 | Very low | 103 Ų | 103 | 138 Ų | 138 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -139.5 | 153.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 309 | D | 30.1 | Very low | 34.5 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -146.8 | 153.5 | 160.8 | -158.9 | 9.1 | 0 | 0 | 0 | 111.3 | ||||
| 310 | S | 33.6 | Very low | 34 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -36.4 | 156.6 | 179 | -46.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 311 | G | 30.3 | Very low | 33.7 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | cis | 170.6 | -154 | 0.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 312 | N | 33.6 | Very low | 33.8 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | 88.5 | 123.6 | 172.6 | -110.9 | 63.1 | 0 | 0 | 0 | 120.6 | ||||
| 313 | D | 32.7 | Very low | 33.7 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 63% | 0.626 | 78% | 0.782 | S | S | * | * | trans | 30.1 | 144.5 | 137.3 | -60.5 | -37.4 | 0 | 0 | 0 | 122.3 | ||||
| 314 | Q | 33.1 | Very low | 33.7 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | cis | -162.9 | 167.9 | -4.1 | -120.5 | 160.1 | 46 | 0 | 0 | 111.2 | ||||
| 315 | D | 32.8 | Very low | 33.6 | Very low | 146 Ų | 146 | 125.5 Ų | 125.5 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | 71.3 | 145.1 | 151.5 | -68.3 | -14.9 | 0 | 0 | 0 | 126.6 | ||||
| 316 | A | 34.6 | Very low | 33.7 | Very low | 95 Ų | 95 | 121.8 Ų | 121.8 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 68.2 | 85.3 | 143.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 317 | N | 31.3 | Very low | 34 | Very low | 169 Ų | 169 | 122 Ų | 122 | 90% | 0.904 | 77% | 0.767 | S | S | * | * | 6.4 | 129.8 | 125.9 | -175.2 | 39.6 | 0 | 0 | 0 | 120.1 | |||||
| 318 | G | 30.2 | Very low | 33.3 | Very low | 70 Ų | 70 | 125.8 Ų | 125.8 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 176 | 145.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 319 | T | 33.4 | Very low | 33.4 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -128.3 | 146.6 | -179.4 | 51.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 320 | S | 31.3 | Very low | 33.6 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | 88.4 | 140.8 | 154.2 | -57.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 321 | S | 31.8 | Very low | 33.7 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | 65 | 100.2 | 146.4 | 57.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 322 | S | 35.5 | Very low | 34.2 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | 78.6 | 147.2 | 116.3 | 76.4 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 323 | Q | 33 | Very low | 34.8 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | trans | 100.5 | 120.9 | 155.2 | -60.5 | -90.8 | -11.3 | 0 | 0 | 119.8 | ||||
| 324 | L | 32.5 | Very low | 34.9 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | 61.9 | 146.7 | 149.9 | -101.7 | 59.6 | 0 | 0 | 0 | 119.6 | ||||
| 325 | S | 34.6 | Very low | 34.9 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | cis | -147.7 | 155 | 20.8 | -68 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 326 | T | 36.8 | Very low | 35 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -10.2 | 151 | 150.4 | 40.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 327 | P | 44.1 | Very low | 36.1 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | -147.6 | 141.9 | 66.2 | 39.1 | -19 | 0 | 0 | 0 | 122.4 | |||||
| 328 | K | 31.7 | Very low | 36.1 | Very low | 208 Ų | 208 | 128.3 Ų | 128.3 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | trans | 52.4 | 117.8 | 141.9 | -74.4 | 177.5 | 174.7 | 171.2 | 0 | 121.9 | ||||
| 329 | S | 34.8 | Very low | 36.4 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -101.6 | 155.8 | 160.4 | 163.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 330 | K | 34.6 | Very low | 36.9 | Very low | 191 Ų | 191 | 130.3 Ų | 130.3 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | trans | -155.7 | 150.6 | 144 | -74.4 | -157.2 | -178.8 | -172.5 | 0 | 110.2 | ||||
| 331 | Q | 34.2 | Very low | 36.8 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | cis | -166.4 | 151.6 | -30.6 | -166.9 | 160.4 | -8 | 0 | 0 | 108.6 | ||||
| 332 | S | 41.1 | Very low | 36.8 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | -125.3 | 156.9 | 174.5 | -49.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 333 | P | 47 | Very low | 36.7 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -139.5 | 161.8 | 132.8 | 41.5 | -28.7 | 0 | 0 | 0 | 111.7 | ||||
| 334 | I | 35.3 | Very low | 36.9 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | cis | 73.6 | 128.6 | 35.6 | -62.4 | 177.2 | 0 | 0 | 0 | 110.6 | ||||
| 335 | S | 31.8 | Very low | 37.3 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | cis | -155.6 | 162.9 | 9.3 | -156.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 336 | T | 35.8 | Very low | 37.4 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | 35.5 | 154.3 | 145.7 | 46.2 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 337 | P | 57.5 | Low | 37.6 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | trans | -107.3 | 165 | -166 | 41.8 | -36 | 0 | 0 | 0 | 116.7 | ||||
| 338 | T | 30.8 | Very low | 37.2 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 86% | 0.859 | 75% | 0.75 | S | S | * | * | trans | -175.4 | 149.2 | 140.8 | -76.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 339 | S | 35.7 | Very low | 37.5 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | trans | -73.9 | 156.8 | 179.2 | -47.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 340 | P | 44 | Very low | 37.5 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | -137.2 | -167.3 | 101.4 | 39 | -27.9 | 0 | 0 | 0 | 112 | |||||
| 341 | G | 29.5 | Very low | 37.6 | Very low | 69 Ų | 69 | 132.5 Ų | 132.5 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | -152.2 | -173.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 342 | S | 32.3 | Very low | 38.5 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | trans | 68.8 | 116.6 | 176.8 | -167.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 343 | L | 33.7 | Very low | 38.6 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | -172.2 | 117.7 | 112.1 | -98.6 | 167.3 | 0 | 0 | 0 | 113.8 | |||||
| 344 | R | 38 | Very low | 38.3 | Very low | 213 Ų | 213 | 129.6 Ų | 129.6 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | 10.6 | 134.9 | 142.1 | -50.9 | 170.1 | -178.6 | -178.1 | -2.7 | 117.6 | ||||
| 345 | K | 39.1 | Very low | 38.7 | Very low | 173 Ų | 173 | 128.2 Ų | 128.2 | 75% | 0.752 | 71% | 0.71 | S | S | * | * | -177.2 | 167.3 | 81.8 | -90.8 | -177.8 | 168.1 | -167.3 | 0 | 109.2 | |||||
| 346 | H | 38.5 | Very low | 39.2 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 59% | 0.593 | 72% | 0.715 | S | S | * | * | cis | -163.3 | 152.5 | 17.3 | -134 | -172 | 0 | 0 | 0 | 112.7 | ||||
| 347 | K | 39.3 | Very low | 39.7 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 62% | 0.622 | 72% | 0.715 | S | S | * | * | trans | 63.9 | 152.8 | 145.7 | -69.3 | -171.3 | 147.3 | -73.1 | 0 | 119.5 | ||||
| 348 | D | 37 | Very low | 39.3 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 57% | 0.572 | 72% | 0.72 | S | S | * | * | cis | -163.5 | 173.8 | -7.2 | -94.9 | -18.2 | 0 | 0 | 0 | 105.1 | ||||
| 349 | L | 38.4 | Very low | 40.1 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | cis | -167.2 | 161.4 | -28.2 | -85.1 | 166.1 | 0 | 0 | 0 | 103.6 | ||||
| 350 | Y | 33 | Very low | 40.9 | Very low | 179 Ų | 179 | 133 Ų | 133 | 70% | 0.702 | 72% | 0.721 | S | S | * | * | cis | -140.4 | 167.6 | 11.6 | -140.8 | -133.4 | 0 | 0 | 0 | 106.6 | P352 | Y350-P352 HydrophobicContact CE1-CG 4.21Š| ||
| 351 | L | 37.9 | Very low | 41.1 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | cis | 74.9 | 150.3 | 29.1 | -78 | -176.2 | 0 | 0 | 0 | 115.2 | ||||
| 352 | P | 53.7 | Low | 42 | Very low | 80 Ų | 80 | 135.3 Ų | 135.3 | 52% | 0.519 | 73% | 0.729 | S | S | . | * | cis | -147.7 | -176.9 | -9.3 | 44.7 | -26.2 | 0 | 0 | 0 | 118.9 | Y350 | Y350-P352 HydrophobicContact CE1-CG 4.21Š| ||
| 353 | L | 42.4 | Very low | 42.8 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | 68.3 | 154.5 | 152.9 | -61.1 | -156.8 | 0 | 0 | 0 | 120.1 | ||||
| 354 | S | 40.5 | Very low | 43.8 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 62% | 0.615 | 73% | 0.728 | S | S | * | * | cis | -136.1 | 160.9 | 3.7 | -105 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 355 | L | 43.6 | Very low | 44.3 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | 57.2 | 139.5 | 69.3 | -78.3 | 157.4 | 0 | 0 | 0 | 112.9 | |||||
| 356 | D | 41.7 | Very low | 44.6 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | cis | -144.1 | 178.9 | 22.8 | -62.4 | -88.8 | 0 | 0 | 0 | 114.2 | ||||
| 357 | D | 47.3 | Very low | 44.9 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | -69.2 | 162.2 | 173.7 | -65.3 | -112.7 | 0 | 0 | 0 | 116 | ||||
| 358 | S | 49.8 | Very low | 45.2 | Very low | 124 Ų | 124 | 136 Ų | 136 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | -176.1 | 132.4 | 133.1 | -79.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 359 | D | 47.3 | Very low | 45.7 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -75.6 | 153.5 | 157.6 | -77.8 | -71 | 0 | 0 | 0 | 111.4 | ||||
| 360 | S | 51.1 | Low | 46.1 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | 175.7 | 135.5 | 126.7 | -169.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 361 | L | 50.2 | Low | 47 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | -6.3 | 140.6 | 153.7 | -58.3 | 163.7 | 0 | 0 | 0 | 120.2 | ||||
| 362 | G | 46.6 | Very low | 47.7 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -157.9 | 127.2 | 160 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 363 | D | 49.3 | Very low | 47.2 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | trans | -115.8 | 164.7 | -168.6 | -162.1 | -92.3 | 0 | 0 | 0 | 112.4 | ||||
| 364 | S | 55.8 | Low | 47.6 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 69% | 0.692 | 82% | 0.822 | S | S | * | * | trans | 21.2 | 124.7 | 166.6 | -61 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 365 | M | 48.4 | Very low | 48.3 | Very low | 267 Ų | 267 | 143.5 Ų | 143.5 | 100% | 1.315 | 84% | 0.841 | S | S | * | * | -159.7 | 0 | 97.8 | -101 | -174.1 | -175.7 | 0 | 0 | 112.3 |
Retrieved 365 of 365 residues in 803.8 ms
(Link to these results)