| 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 | 39.3 | Very low | 62.5 | Low | 247 Ų | 247 | 135.1 Ų | 135.1 | 100% | 1.217 | 71% | 0.71 | S | S | * | * | 0 | 82.1 | 0 | -75.2 | 172.3 | 162.3 | 0 | 0 | 107.2 | G3 | M1-G3 PolarHBondContact O-N 2.62Š| |||
| 2 | E | 48.6 | Very low | 63.2 | Low | 205 Ų | 205 | 132.3 Ų | 132.3 | 96% | 0.958 | 70% | 0.702 | S | S | * | * | trans | -75.8 | 113.2 | 177.6 | -79.1 | 176.1 | 135 | 0 | 0 | 108.6 | ||||
| 3 | G | 51.1 | Low | 63.7 | Low | 52 Ų | 52 | 129.4 Ų | 129.4 | 54% | 0.536 | 69% | 0.686 | S | S | . | * | trans | -72.3 | 167.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1 R5 | M1-G3 PolarHBondContact O-N 2.62Å; G3-R5 PolarHBondContact O-N 2.88Å | ||
| 4 | P | 58.8 | Low | 63.7 | Low | 113 Ų | 113 | 124.5 Ų | 124.5 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 24.1 | -167.4 | 32.2 | -36.3 | 0 | 0 | 0 | 114.5 | G6 | P4-G6 VanDerWaalsContact C-N 3.34Å; P4-G6 PolarHBondContact O-N 3.36Å |
| 5 | R | 63.5 | Low | 63.5 | Low | 213 Ų | 213 | 124 Ų | 124 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.8 | -26.3 | -177.4 | -134.6 | 176.9 | -178 | -179.2 | -0.1 | 112.6 | G3 V9 | G3-R5 PolarHBondContact O-N 2.88Å; R5-V9 WeakPolarHBondContact O-CG2 3.44Å |
| 6 | G | 65.8 | Low | 63.3 | Low | 49 Ų | 49 | 120.4 Ų | 120.4 | 51% | 0.505 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -67.3 | -35.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P4 L10 | P4-G6 VanDerWaalsContact C-N 3.34Å; P4-G6 PolarHBondContact O-N 3.36Å; G6-L10 PolarHBondContact O-N 3.17Å |
| 7 | W | 68.7 | Low | 62.8 | Low | 209 Ų | 209 | 121.4 Ų | 121.4 | 79% | 0.792 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.2 | -35.9 | -179 | -105.4 | 6.3 | 0 | 0 | 0 | 113.5 | V9 L10 C11 | W7-V9 VanDerWaalsContact C-N 3.31Å; W7-V9 PolarHBondContact O-N 3.17Å; W7-L10 PolarHBondContact O-N 3.44Å; W7-C11 PolarHBondContact O-N 3.36Å |
| 8 | L | 73.3 | Confident | 62.2 | Low | 123 Ų | 123 | 118.7 Ų | 118.7 | 64% | 0.644 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -64.5 | -37.6 | 176.3 | -71.9 | 171.6 | 0 | 0 | 0 | 111.8 | C11 V12 | L8-C11 PolarHBondContact O-N 3.17Å; L8-V12 WeakPolarHBondContact O-CG2 3.47Å; L8-V12 PolarHBondContact O-N 3.3Å; L8-V12 VanDerWaalsContact O-N 3.12Å |
| 9 | V | 74.5 | Confident | 61.6 | Low | 88 Ų | 88 | 117.4 Ų | 117.4 | 53% | 0.533 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -68 | -41 | 178.1 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | R5 W7 V12 L13 | R5-V9 WeakPolarHBondContact O-CG2 3.44Å; W7-V9 VanDerWaalsContact C-N 3.31Å; W7-V9 PolarHBondContact O-N 3.17Å; V9-V12 PolarHBondContact O-N 3.37Å; V9-L13 HydrophobicContact CG1-CD1 3.97Å; V9-L13 WeakPolarHBondContact O-CB 3.43Å; V9-L13 PolarHBondContact O-N 3.43Å |
| 10 | L | 73.4 | Confident | 60.9 | Low | 114 Ų | 114 | 119.1 Ų | 119.1 | 60% | 0.597 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -62.9 | -42.2 | 175.6 | -90.3 | 156.9 | 0 | 0 | 0 | 112.7 | G6 W7 L13 A14 | G6-L10 PolarHBondContact O-N 3.17Å; W7-L10 PolarHBondContact O-N 3.44Å; L10-L13 PolarHBondContact O-N 3.34Å; L10-A14 WeakPolarHBondContact O-CB 3.25Å; L10-A14 PolarHBondContact O-N 3.5Å |
| 11 | C | 70.9 | Confident | 60.4 | Low | 73 Ų | 73 | 119.5 Ų | 119.5 | 49% | 0.493 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -66.8 | -40.6 | 177.7 | -72 | 0 | 0 | 0 | 0 | 112.5 | W7 L8 L13 A14 I15 | W7-C11 PolarHBondContact O-N 3.36Å; L8-C11 PolarHBondContact O-N 3.17Å; C11-L13 VanDerWaalsContact C-N 3.35Å; C11-A14 PolarHBondContact O-N 3.45Å; C11-I15 VanDerWaalsContact O-CG1 3.25Å; C11-I15 WeakPolarHBondContact O-CG1 3.37Å; C11-I15 PolarHBondContact O-N 3.47Å |
| 12 | V | 70.4 | Confident | 61.1 | Low | 101 Ų | 101 | 112 Ų | 112 | 61% | 0.612 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.1 | -37.5 | 177.3 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | L8 V9 I15 S16 | L8-V12 WeakPolarHBondContact O-CG2 3.47Å; L8-V12 PolarHBondContact O-N 3.3Å; L8-V12 VanDerWaalsContact O-N 3.12Å; V9-V12 PolarHBondContact O-N 3.37Å; V12-I15 PolarHBondContact O-N 3.4Å; V12-S16 PolarHBondContact O-N 3.45Å; V12-S16 PolarHBondContact O-OG 3.47Å |
| 13 | L | 70.5 | Confident | 61.4 | Low | 95 Ų | 95 | 111.4 Ų | 111.4 | 50% | 0.497 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.1 | -41.2 | 172.1 | -85.2 | 158.6 | 0 | 0 | 0 | 112.2 | V9 L10 C11 S16 L17 | V9-L13 HydrophobicContact CG1-CD1 3.97Å; V9-L13 WeakPolarHBondContact O-CB 3.43Å; V9-L13 PolarHBondContact O-N 3.43Å; L10-L13 PolarHBondContact O-N 3.34Å; C11-L13 VanDerWaalsContact C-N 3.35Å; L13-S16 PolarHBondContact O-N 3.37Å; L13-S16 PolarHBondContact O-OG 3.36Å; L13-S16 VanDerWaalsContact O-OG 3.07Å; L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 WeakPolarHBondContact O-CD1 3.48Å; L13-L17 PolarHBondContact O-N 3.17Å; L13-L17 VanDerWaalsContact O-N 3.07Å |
| 14 | A | 63.2 | Low | 61.5 | Low | 61 Ų | 61 | 115.1 Ų | 115.1 | 50% | 0.504 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67 | -36 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L10 C11 A18 | L10-A14 WeakPolarHBondContact O-CB 3.25Å; L10-A14 PolarHBondContact O-N 3.5Å; C11-A14 PolarHBondContact O-N 3.45Å; A14-A18 PolarHBondContact O-N 3.37Å |
| 15 | I | 60 | Low | 61.5 | Low | 117 Ų | 117 | 117.5 Ų | 117.5 | 60% | 0.6 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.6 | -35.6 | 178.9 | -62.8 | 168.8 | 0 | 0 | 0 | 111.1 | C11 V12 L17 A18 | C11-I15 VanDerWaalsContact O-CG1 3.25Å; C11-I15 WeakPolarHBondContact O-CG1 3.37Å; C11-I15 PolarHBondContact O-N 3.47Å; V12-I15 PolarHBondContact O-N 3.4Å; I15-L17 VanDerWaalsContact C-N 3.33Å; I15-A18 PolarHBondContact O-N 3.28Å |
| 16 | S | 60.1 | Low | 61.6 | Low | 66 Ų | 66 | 113.4 Ų | 113.4 | 46% | 0.462 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -70.9 | -29.3 | 174.6 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | V12 L13 A18 | V12-S16 PolarHBondContact O-N 3.45Å; V12-S16 PolarHBondContact O-OG 3.47Å; L13-S16 PolarHBondContact O-N 3.37Å; L13-S16 PolarHBondContact O-OG 3.36Å; L13-S16 VanDerWaalsContact O-OG 3.07Å; S16-A18 VanDerWaalsContact C-N 3.31Å; S16-A18 PolarHBondContact O-N 3.49Å |
| 17 | L | 55.9 | Low | 61.4 | Low | 137 Ų | 137 | 120.6 Ų | 120.6 | 72% | 0.717 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.9 | -26.4 | 171.8 | -86.7 | 152.9 | 0 | 0 | 0 | 113.1 | L13 I15 | L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 WeakPolarHBondContact O-CD1 3.48Å; L13-L17 PolarHBondContact O-N 3.17Å; L13-L17 VanDerWaalsContact O-N 3.07Å; I15-L17 VanDerWaalsContact C-N 3.33Å |
| 18 | A | 52.1 | Low | 61.3 | Low | 74 Ų | 74 | 114.3 Ų | 114.3 | 61% | 0.612 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -83 | -14.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A14 I15 S16 | A14-A18 PolarHBondContact O-N 3.37Å; I15-A18 PolarHBondContact O-N 3.28Å; S16-A18 VanDerWaalsContact C-N 3.31Å; S16-A18 PolarHBondContact O-N 3.49Å |
| 19 | S | 50.6 | Low | 60.9 | Low | 93 Ų | 93 | 114.5 Ų | 114.5 | 65% | 0.65 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 3.8 | 180 | -62.7 | 0 | 0 | 0 | 0 | 114.7 | V21 | S19-V21 VanDerWaalsContact C-N 3.28Å; S19-V21 PolarHBondContact O-N 3.34Å |
| 20 | M | 47.9 | Very low | 60.7 | Low | 152 Ų | 152 | 116.9 Ų | 116.9 | 75% | 0.749 | 67% | 0.67 | S | S | * | * | trans | -93.9 | 47.2 | 171.8 | -66.2 | -82.6 | 129.3 | 0 | 0 | 110.9 | T22 | M20-T22 PolarHBondContact O-N 2.77Å; M20-T22 VanDerWaalsContact O-N 3.08Å | ||
| 21 | V | 50.2 | Low | 60.3 | Low | 128 Ų | 128 | 115 Ų | 115 | 78% | 0.776 | 68% | 0.678 | S | S | * | * | trans | -79.2 | 88.4 | 160.2 | 180 | 0 | 0 | 0 | 0 | 105.6 | S19 E23 | S19-V21 VanDerWaalsContact C-N 3.28Å; S19-V21 PolarHBondContact O-N 3.34Å; V21-E23 PolarHBondContact O-N 3.48Å | ||
| 22 | T | 53.3 | Low | 60 | Low | 88 Ų | 88 | 121.1 Ų | 121.1 | 54% | 0.54 | 70% | 0.696 | S | S | . | * | trans | -50.3 | 121.8 | -179.4 | 50.7 | 0 | 0 | 0 | 0 | 111 | M20 D24 | M20-T22 PolarHBondContact O-N 2.77Å; M20-T22 VanDerWaalsContact O-N 3.08Å; T22-D24 PolarHBondContact O-N 3.41Å | ||
| 23 | E | 55.1 | Low | 59.7 | Low | 193 Ų | 193 | 126.1 Ų | 126.1 | 90% | 0.902 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -60.1 | 1 | 171.5 | -74.1 | -178.2 | 133.9 | 0 | 0 | 113.7 | V21 L25 | V21-E23 PolarHBondContact O-N 3.48Å; E23-L25 VanDerWaalsContact C-N 3.33Å; E23-L25 PolarHBondContact O-N 2.93Å |
| 24 | D | 52.9 | Low | 59.4 | Low | 130 Ų | 130 | 124.2 Ų | 124.2 | 70% | 0.695 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -83 | 0.6 | -177.6 | -69.5 | -38.4 | 0 | 0 | 0 | 114.7 | T22 C26 | T22-D24 PolarHBondContact O-N 3.41Å; D24-C26 PolarHBondContact O-N 3.4Å |
| 25 | L | 59.5 | Low | 59.5 | Low | 164 Ų | 164 | 130.2 Ų | 130.2 | 86% | 0.859 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -68.7 | -15.6 | -177.3 | -152.7 | 75.1 | 0 | 0 | 0 | 113.9 | E23 | E23-L25 VanDerWaalsContact C-N 3.33Å; E23-L25 PolarHBondContact O-N 2.93Å |
| 26 | C | 64.9 | Low | 59.8 | Low | 127 Ų | 127 | 129.5 Ų | 129.5 | 86% | 0.858 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -102.3 | 2.6 | -174.1 | -67.4 | 0 | 0 | 0 | 0 | 115 | D24 A28 | D24-C26 PolarHBondContact O-N 3.4Å; C26-A28 PolarHBondContact O-N 3.29Å |
| 27 | R | 62.5 | Low | 59.8 | Low | 199 Ų | 199 | 129.1 Ų | 129.1 | 75% | 0.751 | 75% | 0.749 | S | S | * | * | trans | -88.6 | 103.7 | 178.5 | -162.7 | 170.6 | -177.7 | -172.4 | -1.8 | 110.7 | ||||
| 28 | A | 66.5 | Low | 60.2 | Low | 77 Ų | 77 | 133.7 Ų | 133.7 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 137.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | C26 | C26-A28 PolarHBondContact O-N 3.29Š|
| 29 | P | 65.3 | Low | 61 | Low | 127 Ų | 127 | 136.1 Ų | 136.1 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -59 | 139.2 | 176.4 | -21 | 30.5 | 0 | 0 | 0 | 111.3 | ||
| 30 | D | 69.1 | Low | 61.4 | Low | 138 Ų | 138 | 134.3 Ų | 134.3 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 140 | 173.8 | -67.1 | -40 | 0 | 0 | 0 | 110.5 | ||
| 31 | G | 65.2 | Low | 62.2 | Low | 74 Ų | 74 | 138.6 Ų | 138.6 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61 | 141 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | K33 | G31-K33 PolarHBondContact O-N 3.35Š|
| 32 | K | 65.7 | Low | 62.8 | Low | 202 Ų | 202 | 144.2 Ų | 144.2 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 134.2 | 176.9 | -69.2 | -174.7 | 178.4 | -179.8 | 0 | 110.3 | G34 | K32-G34 PolarHBondContact O-N 3.08Š|
| 33 | K | 63.5 | Low | 62.9 | Low | 206 Ų | 206 | 142.6 Ų | 142.6 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 134.6 | 172.1 | -168.4 | 175.4 | -177.4 | 178.6 | 0 | 109.1 | G31 | G31-K33 PolarHBondContact O-N 3.35Š|
| 34 | G | 63 | Low | 63.3 | Low | 55 Ų | 55 | 144.5 Ų | 144.5 | 57% | 0.567 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -60 | 149.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K32 | K32-G34 PolarHBondContact O-N 3.08Š|
| 35 | E | 66 | Low | 63.9 | Low | 188 Ų | 188 | 144.2 Ų | 144.2 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 148.4 | 176.3 | -65.3 | -173.2 | 165.9 | 0 | 0 | 111.5 | ||
| 36 | A | 66.4 | Low | 63.7 | Low | 101 Ų | 101 | 139.2 Ų | 139.2 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65 | 141.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 37 | G | 59.2 | Low | 63.6 | Low | 58 Ų | 58 | 141.6 Ų | 141.6 | 60% | 0.598 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 148.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 38 | R | 65.9 | Low | 63.6 | Low | 233 Ų | 233 | 141.8 Ų | 141.8 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 147.1 | 176.3 | -74.1 | -178.2 | 170.4 | 166.2 | -2.3 | 111.2 | ||
| 39 | P | 68.4 | Low | 63.2 | Low | 126 Ų | 126 | 140.9 Ų | 140.9 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 146.4 | 172.7 | -24.6 | 33.6 | 0 | 0 | 0 | 112.7 | ||
| 40 | G | 59.3 | Low | 63.1 | Low | 55 Ų | 55 | 144.1 Ų | 144.1 | 57% | 0.567 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63 | 158.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 41 | R | 63.4 | Low | 62.8 | Low | 242 Ų | 242 | 146.6 Ų | 146.6 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67 | 148.3 | 175.9 | -68.2 | -176 | 176.3 | -168.3 | -1 | 110.8 | ||
| 42 | R | 64.6 | Low | 62.5 | Low | 246 Ų | 246 | 145.9 Ų | 145.9 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59 | 145.2 | 171.4 | -71.9 | -173.8 | -176.5 | -169.7 | 1.5 | 110.6 | ||
| 43 | G | 54.7 | Low | 62.3 | Low | 53 Ų | 53 | 145.3 Ų | 145.3 | 55% | 0.546 | 78% | 0.782 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 157 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 44 | R | 63.3 | Low | 62.3 | Low | 233 Ų | 233 | 141.5 Ų | 141.5 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 150.6 | 175 | -71.7 | -177.9 | 177.8 | 175.5 | -1 | 110.7 | ||
| 45 | P | 64.9 | Low | 62.2 | Low | 125 Ų | 125 | 142.2 Ų | 142.2 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 148.5 | 168.6 | -22.7 | 33.4 | 0 | 0 | 0 | 111.8 | ||
| 46 | G | 55.9 | Low | 61.9 | Low | 59 Ų | 59 | 137.8 Ų | 137.8 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 160 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 47 | L | 62 | Low | 61.8 | Low | 176 Ų | 176 | 139 Ų | 139 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 148.1 | 174.5 | -65.8 | 172.5 | 0 | 0 | 0 | 110.4 | ||
| 48 | K | 64 | Low | 61.7 | Low | 204 Ų | 204 | 139.8 Ų | 139.8 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 138.4 | 171.5 | -172.9 | -179.1 | 176.7 | -176.5 | 0 | 108.9 | ||
| 49 | G | 57 | Low | 60.9 | Low | 57 Ų | 57 | 136.7 Ų | 136.7 | 59% | 0.588 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 152.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 50 | E | 63 | Low | 60 | Low | 196 Ų | 196 | 142.1 Ų | 142.1 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 151.5 | 176.8 | -64.2 | -172.4 | 159.6 | 0 | 0 | 111.2 | ||
| 51 | Q | 64.4 | Low | 59.6 | Low | 190 Ų | 190 | 145 Ų | 145 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 132.8 | 175.5 | 179.6 | 174.5 | -20.3 | 0 | 0 | 109.3 | ||
| 52 | G | 57.4 | Low | 59.1 | Low | 59 Ų | 59 | 137.9 Ų | 137.9 | 61% | 0.608 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 147.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 53 | E | 61.6 | Low | 58.2 | Low | 189 Ų | 189 | 133.2 Ų | 133.2 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 145.3 | 179.2 | -66 | -169.3 | 136.2 | 0 | 0 | 111.6 | ||
| 54 | P | 64.2 | Low | 58 | Low | 126 Ų | 126 | 139.7 Ų | 139.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 138.5 | 172.2 | -22.4 | 33 | 0 | 0 | 0 | 111.8 | ||
| 55 | G | 60.4 | Low | 57.5 | Low | 70 Ų | 70 | 131.6 Ų | 131.6 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 147.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 56 | A | 60.8 | Low | 57 | Low | 95 Ų | 95 | 133.8 Ų | 133.8 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 143.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | G58 | A56-G58 PolarHBondContact O-N 3.27Š|
| 57 | P | 63.1 | Low | 57.2 | Low | 126 Ų | 126 | 140.6 Ų | 140.6 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 129.4 | 175.1 | -19.4 | 30.1 | 0 | 0 | 0 | 111.5 | ||
| 58 | G | 57.7 | Low | 57.1 | Low | 76 Ų | 76 | 135.1 Ų | 135.1 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 138.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | A56 | A56-G58 PolarHBondContact O-N 3.27Š|
| 59 | I | 48.6 | Very low | 56.9 | Low | 168 Ų | 168 | 133.1 Ų | 133.1 | 86% | 0.862 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 131.2 | 172.4 | -65.8 | 172.3 | 0 | 0 | 0 | 109.1 | T61 | I59-T61 PolarHBondContact O-N 3.33Š|
| 60 | R | 49.8 | Very low | 57.2 | Low | 240 Ų | 240 | 139.5 Ų | 139.5 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -56.2 | 107.1 | -172.5 | -72 | 175.5 | 166.7 | 126.3 | -4.2 | 113.9 | ||||
| 61 | T | 50.1 | Low | 57.1 | Low | 115 Ų | 115 | 133 Ų | 133 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -140.5 | 65.6 | 153.7 | 48.1 | 0 | 0 | 0 | 0 | 110.9 | I59 I63 | I59-T61 PolarHBondContact O-N 3.33Å; T61-I63 PolarHBondContact O-N 3.5Å | ||
| 62 | G | 53.6 | Low | 57.1 | Low | 93 Ų | 93 | 132.9 Ų | 132.9 | 96% | 0.959 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 57 | -8.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||
| 63 | I | 46.2 | Very low | 57.5 | Low | 148 Ų | 148 | 136 Ų | 136 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -117 | 124.1 | -175.9 | -57.2 | 172.1 | 0 | 0 | 0 | 104.9 | T61 G65 | T61-I63 PolarHBondContact O-N 3.5Å; I63-G65 PolarHBondContact O-N 3.5Å |
| 64 | Q | 49.5 | Very low | 57.4 | Low | 188 Ų | 188 | 129.6 Ų | 129.6 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -56.1 | 105.5 | 177.1 | -174.6 | 173 | 19.2 | 0 | 0 | 108.4 | L66 | Q64-L66 PolarHBondContact O-N 3.07Š| ||
| 65 | G | 54 | Low | 57.4 | Low | 63 Ų | 63 | 129.8 Ų | 129.8 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 133 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | I63 K67 | I63-G65 PolarHBondContact O-N 3.5Å; G65-K67 PolarHBondContact O-N 3.04Å |
| 66 | L | 53.4 | Low | 57.7 | Low | 172 Ų | 172 | 132.1 Ų | 132.1 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 133.4 | 176.7 | -69.3 | 169.2 | 0 | 0 | 0 | 108.9 | Q64 G68 | Q64-L66 PolarHBondContact O-N 3.07Å; L66-G68 PolarHBondContact O-N 3Å; L66-G68 VanDerWaalsContact O-N 3.17Å |
| 67 | K | 59.8 | Low | 57.7 | Low | 201 Ų | 201 | 130.3 Ų | 130.3 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 123.5 | 174.2 | -179.8 | -179 | 179 | -176.7 | 0 | 107.5 | G65 D69 | G65-K67 PolarHBondContact O-N 3.04Å; K67-D69 PolarHBondContact O-N 3.48Å |
| 68 | G | 60.1 | Low | 57.8 | Low | 61 Ų | 61 | 131.4 Ų | 131.4 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 138.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L66 | L66-G68 PolarHBondContact O-N 3Å; L66-G68 VanDerWaalsContact O-N 3.17Å |
| 69 | D | 60.5 | Low | 58.2 | Low | 163 Ų | 163 | 133.6 Ų | 133.6 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 144.9 | -178.2 | -68.5 | -36.2 | 0 | 0 | 0 | 110.7 | K67 G71 | K67-D69 PolarHBondContact O-N 3.48Å; D69-G71 PolarHBondContact O-N 3.29Å; D69-G71 VanDerWaalsContact O-N 3.17Å |
| 70 | Q | 63.9 | Low | 59 | Low | 191 Ų | 191 | 128 Ų | 128 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 122.1 | 175.1 | 179.6 | 174 | -6.4 | 0 | 0 | 108.6 | ||
| 71 | G | 59.7 | Low | 59.9 | Low | 58 Ų | 58 | 126.2 Ų | 126.2 | 60% | 0.598 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 142.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D69 | D69-G71 PolarHBondContact O-N 3.29Å; D69-G71 VanDerWaalsContact O-N 3.17Å |
| 72 | E | 63.7 | Low | 60.9 | Low | 188 Ų | 188 | 127.5 Ų | 127.5 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 142.5 | -178.8 | -65.1 | -169.9 | 131.7 | 0 | 0 | 111 | G74 | E72-G74 PolarHBondContact O-N 2.93Š|
| 73 | P | 65.8 | Low | 61.5 | Low | 124 Ų | 124 | 125 Ų | 125 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 131 | 173.3 | -23.8 | 33.2 | 0 | 0 | 0 | 110.9 | ||
| 74 | G | 60.7 | Low | 62.7 | Low | 56 Ų | 56 | 128.3 Ų | 128.3 | 58% | 0.577 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 151.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | E72 | E72-G74 PolarHBondContact O-N 2.93Š|
| 75 | P | 64 | Low | 63.9 | Low | 130 Ų | 130 | 125.1 Ų | 125.1 | 84% | 0.844 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 145 | -176.9 | 24.3 | -33.4 | 0 | 0 | 0 | 111.5 | G77 | P75-G77 PolarHBondContact O-N 3.07Š|
| 76 | S | 66.1 | Low | 64.8 | Low | 119 Ų | 119 | 124.2 Ų | 124.2 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 132.4 | 174.4 | -70.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 77 | G | 61.3 | Low | 66 | Low | 56 Ų | 56 | 121.7 Ų | 121.7 | 58% | 0.577 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 142.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P75 | P75-G77 PolarHBondContact O-N 3.07Š|
| 78 | N | 64.7 | Low | 66.9 | Low | 150 Ų | 150 | 117.9 Ų | 117.9 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 143.1 | 178.4 | -71.5 | -29.1 | 0 | 0 | 0 | 111.2 | G80 | N78-G80 PolarHBondContact O-N 3.2Š|
| 79 | P | 67.4 | Low | 67.8 | Low | 122 Ų | 122 | 117.2 Ų | 117.2 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 138.5 | 173.6 | -25.3 | 33.3 | 0 | 0 | 0 | 111.5 | ||
| 80 | G | 64.6 | Low | 68.9 | Low | 50 Ų | 50 | 115.4 Ų | 115.4 | 52% | 0.515 | 73% | 0.728 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 142.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | N78 V82 | N78-G80 PolarHBondContact O-N 3.2Å; G80-V82 PolarHBondContact O-N 3.06Å |
| 81 | K | 68.1 | Low | 69.8 | Low | 202 Ų | 202 | 114.9 Ų | 114.9 | 88% | 0.878 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 139.4 | 177.1 | -64.8 | -176.5 | 179.9 | -178.1 | 0 | 110.2 | G83 | K81-G83 PolarHBondContact O-N 3.48Š|
| 82 | V | 71 | Confident | 70.8 | Confident | 142 Ų | 142 | 115.2 Ų | 115.2 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 131.4 | 172.8 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | G80 | G80-V82 PolarHBondContact O-N 3.06Š|
| 83 | G | 65.9 | Low | 71.9 | Confident | 42 Ų | 42 | 111.2 Ų | 111.2 | 43% | 0.433 | 73% | 0.733 | S | S | . | * | P | Polyproline II helix | trans | -60 | 144.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K81 | K81-G83 PolarHBondContact O-N 3.48Š|
| 84 | Y | 72.6 | Confident | 72.7 | Confident | 216 Ų | 216 | 117 Ų | 117 | 85% | 0.847 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 145.2 | 175.9 | -68.3 | -79 | 0 | 0 | 0 | 111.1 | G86 | Y84-G86 PolarHBondContact O-N 3.43Š|
| 85 | P | 73.6 | Confident | 73.9 | Confident | 122 Ų | 122 | 117.2 Ų | 117.2 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 140.9 | 170.1 | -24.7 | 33.7 | 0 | 0 | 0 | 110.8 | ||
| 86 | G | 74.8 | Confident | 75 | Confident | 43 Ų | 43 | 118.8 Ų | 118.8 | 44% | 0.443 | 74% | 0.74 | S | S | . | * | P | Polyproline II helix | trans | -60 | 153.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y84 | Y84-G86 PolarHBondContact O-N 3.43Š|
| 87 | P | 78.4 | Confident | 76 | Confident | 120 Ų | 120 | 118.7 Ų | 118.7 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 149.4 | 175.2 | 26.6 | -34.1 | 0 | 0 | 0 | 110.7 | ||
| 88 | S | 78.8 | Confident | 77.3 | Confident | 121 Ų | 121 | 119.5 Ų | 119.5 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 139.8 | 172.3 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 89 | G | 79.2 | Confident | 78.5 | Confident | 47 Ų | 47 | 120.5 Ų | 120.5 | 49% | 0.485 | 75% | 0.749 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 154.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 90 | P | 83.4 | Confident | 79.6 | Confident | 125 Ų | 125 | 124 Ų | 124 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 147.4 | 177.2 | 26.3 | -33.8 | 0 | 0 | 0 | 110.9 | G92 | P90-G92 PolarHBondContact O-N 3.44Š|
| 91 | L | 81.1 | Confident | 80.8 | Confident | 180 Ų | 180 | 124.8 Ų | 124.8 | 94% | 0.942 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 136.9 | 169.7 | -82.7 | 151.8 | 0 | 0 | 0 | 109.5 | ||
| 92 | G | 82.2 | Confident | 81.9 | Confident | 65 Ų | 65 | 121.8 Ų | 121.8 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 149.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P90 | P90-G92 PolarHBondContact O-N 3.44Š|
| 93 | A | 86 | Confident | 82.8 | Confident | 103 Ų | 103 | 124.8 Ų | 124.8 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 141.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G95 | A93-G95 PolarHBondContact O-N 3.03Š|
| 94 | R | 83.3 | Confident | 83.8 | Confident | 245 Ų | 245 | 125.7 Ų | 125.7 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 137.2 | 173.9 | -172.6 | 176.6 | -179.8 | 174 | 0.8 | 109.2 | ||
| 95 | G | 84.7 | Confident | 84.4 | Confident | 61 Ų | 61 | 120.8 Ų | 120.8 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 147.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | A93 | A93-G95 PolarHBondContact O-N 3.03Š|
| 96 | I | 88.4 | Confident | 84.7 | Confident | 163 Ų | 163 | 121 Ų | 121 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 137.1 | 178.9 | -56.1 | 172.8 | 0 | 0 | 0 | 108.4 | ||
| 97 | P | 87.4 | Confident | 84.8 | Confident | 117 Ų | 117 | 122 Ų | 122 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 142.5 | 173.1 | -25.8 | 34.4 | 0 | 0 | 0 | 112 | ||
| 98 | G | 88.8 | Confident | 84.9 | Confident | 74 Ų | 74 | 120 Ų | 120 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -59 | 150.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | K100 | G98-K100 PolarHBondContact O-N 3.12Š|
| 99 | I | 89.9 | Confident | 84.8 | Confident | 170 Ų | 170 | 120.6 Ų | 120.6 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 135.8 | 179 | -53.4 | 172 | 0 | 0 | 0 | 108.6 | G101 | I99-G101 PolarHBondContact O-N 3.45Š|
| 100 | K | 90 | Very high | 84.8 | Confident | 196 Ų | 196 | 126.8 Ų | 126.8 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60 | 133.3 | 174.3 | -173.5 | 176.8 | -179.6 | 177 | 0 | 109.5 | G98 | G98-K100 PolarHBondContact O-N 3.12Š|
| 101 | G | 90.4 | Very high | 84.8 | Confident | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 148.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | I99 | I99-G101 PolarHBondContact O-N 3.45Š|
| 102 | T | 91.4 | Very high | 85.2 | Confident | 140 Ų | 140 | 123.8 Ų | 123.8 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -64 | 143 | 177.9 | 50.1 | 0 | 0 | 0 | 0 | 110.8 | G104 | T102-G104 PolarHBondContact O-N 3.49Š|
| 103 | K | 89.2 | Confident | 85.7 | Confident | 204 Ų | 204 | 123.1 Ų | 123.1 | 89% | 0.887 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 136.7 | 170.6 | -171.3 | 179.4 | 179.4 | -179.7 | 0 | 109 | ||
| 104 | G | 86.6 | Confident | 86.1 | Confident | 61 Ų | 61 | 125 Ų | 125 | 63% | 0.629 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 154.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T102 | T102-G104 PolarHBondContact O-N 3.49Š|
| 105 | S | 84.2 | Confident | 86.8 | Confident | 114 Ų | 114 | 113.3 Ų | 113.3 | 80% | 0.797 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 143.3 | 174.5 | 43.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 106 | P | 81.4 | Confident | 87.4 | Confident | 126 Ų | 126 | 111.4 Ų | 111.4 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 138.1 | 167.3 | -20.3 | 32.1 | 0 | 0 | 0 | 110.3 | ||
| 107 | G | 76.6 | Confident | 87.9 | Confident | 63 Ų | 63 | 103.8 Ų | 103.8 | 65% | 0.649 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -63 | 136.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I109 | G107-I109 PolarHBondContact O-N 3.07Š|
| 108 | N | 81.2 | Confident | 88.4 | Confident | 79 Ų | 79 | 99.7 Ų | 99.7 | 42% | 0.422 | 58% | 0.58 | S | S | . | * | trans | -82.1 | 111.8 | 172.7 | 179.3 | 8.2 | 0 | 0 | 0 | 109.1 | K110 D111 | N108-K110 PolarHBondContact O-N 3.37Å; N108-K110 VanDerWaalsContact O-N 3.15Å; N108-K110 WeakPolarHBondContact OD1-CB 3.21Å; N108-K110 PolarHBondContact OD1-N 3.09Å; N108-K110 VanDerWaalsContact OD1-N 3.07Å; N108-D111 HydrophobicContact CB-CB 4.33Å; N108-D111 WeakPolarHBondContact CB-OD2 3.4Å; N108-D111 PolarHBondContact ND2-OD1 3.33Å; N108-D111 VanDerWaalsContact ND2-OD1 3.09Å; N108-D111 PolarHBondContact ND2-OD2 2.98Å; N108-D111 PolarHBondContact O-N 3.43Å | ||
| 109 | I | 75.8 | Confident | 88.9 | Confident | 134 Ų | 134 | 96.2 Ų | 96.2 | 69% | 0.687 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -58.2 | -28.2 | 179.8 | -62.3 | 170.1 | 0 | 0 | 0 | 111.3 | G107 D111 Q112 | G107-I109 PolarHBondContact O-N 3.07Å; I109-D111 PolarHBondContact O-N 2.81Å; I109-Q112 PolarHBondContact O-N 3.15Å |
| 110 | K | 78.4 | Confident | 89.3 | Confident | 177 Ų | 177 | 88.5 Ų | 88.5 | 77% | 0.77 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -70.4 | -20 | 177.8 | -64.3 | -174.8 | 177.6 | -178.1 | 0 | 113.6 | N108 Q112 | N108-K110 PolarHBondContact O-N 3.37Å; N108-K110 VanDerWaalsContact O-N 3.15Å; N108-K110 WeakPolarHBondContact OD1-CB 3.21Å; N108-K110 PolarHBondContact OD1-N 3.09Å; N108-K110 VanDerWaalsContact OD1-N 3.07Å; K110-Q112 VanDerWaalsContact C-N 3.33Å |
| 111 | D | 84.2 | Confident | 89.6 | Confident | 128 Ų | 128 | 80.9 Ų | 80.9 | 68% | 0.684 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -92 | -0.8 | -179.5 | -57.5 | -20.7 | 0 | 0 | 0 | 111.6 | N108 I109 | N108-D111 HydrophobicContact CB-CB 4.33Å; N108-D111 WeakPolarHBondContact CB-OD2 3.4Å; N108-D111 PolarHBondContact ND2-OD1 3.33Å; N108-D111 VanDerWaalsContact ND2-OD1 3.09Å; N108-D111 PolarHBondContact ND2-OD2 2.98Å; N108-D111 PolarHBondContact O-N 3.43Å; I109-D111 PolarHBondContact O-N 2.81Å |
| 112 | Q | 89 | Confident | 89.8 | Confident | 114 Ų | 114 | 84.9 Ų | 84.9 | 53% | 0.533 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -88.5 | 141.4 | 177.4 | -66.7 | -176.5 | -18.6 | 0 | 0 | 111.2 | I109 K110 R114 | I109-Q112 PolarHBondContact O-N 3.15Å; K110-Q112 VanDerWaalsContact C-N 3.33Å; Q112-R114 PolarHBondContact O-N 2.76Å |
| 113 | P | 93 | Very high | 89.9 | Confident | 50 Ų | 50 | 84.4 Ų | 84.4 | 33% | 0.325 | 46% | 0.457 | S | S | . | . | trans | -61.7 | 137.8 | 171.7 | 27 | -33.6 | 0 | 0 | 0 | 110.3 | V155 L240 P243 | P113-V155 HydrophobicContact CB-CB 4.41Å; P113-V155 HydrophobicContact CB-CG1 3.93Å; P113-V155 HydrophobicContact CB-CG2 3.86Å; P113-V155 HydrophobicContact CG-CG1 3.88Å; P113-L240 HydrophobicContact CB-CD2 4.26Å; P113-L240 HydrophobicContact CG-CD2 4.16Å; P113-P243 HydrophobicContact CG-CB 4.39Å; P113-P243 HydrophobicContact CG-CG 4.48Å | ||
| 114 | R | 94.3 | Very high | 90.1 | Very high | 142 Ų | 142 | 74.9 Ų | 74.9 | 54% | 0.536 | 42% | 0.415 | S | S | . | . | trans | -143.3 | 50.6 | -175.6 | 48.6 | -179.9 | -83.5 | -158.7 | -4.6 | 111.8 | Q112 A116 Q140 E141 | Q112-R114 PolarHBondContact O-N 2.76Å; R114-A116 PolarHBondContact O-N 3.5Å; R114-Q140 VanDerWaalsContact CZ-OE1 3.3Å; R114-E141 WeakPolarHBondContact CG-OE1 3.46Å; R114-E141 PolarHBondContact N-OE1 2.9Å | ||
| 115 | P | 97.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 41% | 0.41 | C | S | . | . | trans | -65.6 | 124.8 | 176.6 | 26.6 | -30.8 | 0 | 0 | 0 | 109.7 | Q140 E141 P143 V155 Y159 F239 L240 | P115-Q140 WeakPolarHBondContact CA-O 3.48Å; P115-E141 HydrophobicContact CB-CB 4.2Å; P115-E141 VanDerWaalsContact CD-OE2 3.3Å; P115-E141 WeakPolarHBondContact CD-OE2 3.45Å; P115-P143 HydrophobicContact CB-CB 4.34Å; P115-P143 HydrophobicContact CB-CG 4.01Å; P115-V155 HydrophobicContact CG-CB 4.5Å; P115-Y159 HydrophobicContact CG-CE1 3.89Å; P115-Y159 VanDerWaalsContact CG-OH 3.27Å; P115-Y159 WeakPolarHBondContact CG-OH 3.34Å; P115-F239 WeakPolarHBondContact O-CA 3.37Å; P115-L240 HydrophobicContact CG-CB 3.84Å; P115-L240 HydrophobicContact CG-CD2 4.2Å; P115-L240 PolarHBondContact O-N 3.39Å | ||
| 116 | A | 98.3 | Very high | 90.4 | Very high | 22 Ų | 22 | 78.7 Ų | 78.7 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 138.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | R114 N139 Q140 G238 F239 | R114-A116 PolarHBondContact O-N 3.5Å; A116-N139 CarbonylContact O-C 3.45Å; A116-N139 WeakPolarHBondContact O-CA 3.4Å; A116-Q140 PolarHBondContact N-O 2.82Å; A116-Q140 PolarHBondContact O-N 3.32Å; A116-G238 CarbonylContact C-O 3.5Å; A116-G238 VanDerWaalsContact CA-O 3.3Å; A116-G238 WeakPolarHBondContact CA-O 3.03Å; A116-F239 HydrophobicContact CB-CB 3.73Å |
| 117 | F | 98.8 | Very high | 90.7 | Very high | 3 Ų | 3 | 75.5 Ų | 75.5 | 1% | 0.013 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 156 | 178.4 | 78.6 | -80.2 | 0 | 0 | 0 | 112.4 | T138 N139 Y144 F151 F161 F236 S237 G238 | F117-T138 CarbonylContact C-O 3.52Å; F117-T138 WeakPolarHBondContact CA-O 3.41Å; F117-T138 WeakPolarHBondContact CB-O 3.49Å; F117-N139 HydrophobicContact CB-CB 4.47Å; F117-Y144 HydrophobicContact CB-CG 4.46Å; F117-Y144 HydrophobicContact CD2-CD1 4.04Å; F117-Y144 AromaticContact CD2-CD2 3.53Å; F117-Y144 HydrophobicContact CD2-CD2 3.53Å; F117-Y144 HydrophobicContact CD2-CE2 4.2Å; F117-Y144 AromaticContact CD2-CG 3.44Å; F117-Y144 HydrophobicContact CD2-CG 3.44Å; F117-Y144 VanDerWaalsContact CD2-CG 3.44Å; F117-Y144 HydrophobicContact CE1-CD2 4.36Å; F117-Y144 HydrophobicContact CE2-CD1 4.48Å; F117-Y144 AromaticContact CE2-CD2 3.32Å; F117-Y144 HydrophobicContact CE2-CD2 3.32Å; F117-Y144 AromaticContact CE2-CE2 3.68Å; F117-Y144 HydrophobicContact CE2-CE2 3.68Å; F117-Y144 AromaticContact CE2-CG 3.78Å; F117-Y144 HydrophobicContact CE2-CG 3.78Å; F117-Y144 HydrophobicContact CG-CD2 4.16Å; F117-Y144 AromaticContact CG-CG 3.92Å; F117-Y144 HydrophobicContact CG-CG 3.92Å; F117-Y144 AromaticContact CZ-CD2 3.79Å; F117-Y144 HydrophobicContact CZ-CD2 3.79Å; F117-Y144 HydrophobicContact CZ-CE2 4.26Å; F117-Y144 HydrophobicContact CZ-CG 4.49Å; F117-F151 AromaticContact CD1-CD2 3.67Å; F117-F151 HydrophobicContact CD1-CD2 3.67Å; F117-F151 HydrophobicContact CD1-CE2 4.25Å; F117-F151 HydrophobicContact CE1-CB 4.1Å; F117-F151 AromaticContact CE1-CD2 3.44Å; F117-F151 HydrophobicContact CE1-CD2 3.44Å; F117-F151 VanDerWaalsContact CE1-CD2 3.44Å; F117-F151 HydrophobicContact CE1-CE2 4.24Å; F117-F151 HydrophobicContact CE1-CG 4.12Å; F117-F151 HydrophobicContact CZ-CB 4.36Å; F117-F151 HydrophobicContact CZ-CD2 4.46Å; F117-F161 HydrophobicContact CE1-CD1 4.11Å; F117-F161 AromaticContact CE1-CE1 3.9Å; F117-F161 HydrophobicContact CE1-CE1 3.9Å; F117-F161 HydrophobicContact CZ-CD1 4.25Å; F117-F161 HydrophobicContact CZ-CE1 4.37Å; F117-F236 AromaticContact CE2-CD1 3.55Å; F117-F236 HydrophobicContact CE2-CD1 3.55Å; F117-F236 AromaticContact CE2-CE1 3.83Å; F117-F236 HydrophobicContact CE2-CE1 3.83Å; F117-F236 HydrophobicContact CE2-CG 4.13Å; F117-F236 AromaticContact CZ-CD1 3.68Å; F117-F236 HydrophobicContact CZ-CD1 3.68Å; F117-F236 AromaticContact CZ-CE1 3.46Å; F117-F236 HydrophobicContact CZ-CE1 3.46Å; F117-F236 VanDerWaalsContact CZ-CE1 3.46Å; F117-F236 HydrophobicContact CZ-CE2 4.5Å; F117-F236 HydrophobicContact CZ-CG 4.3Å; F117-F236 AromaticContact CZ-CZ 3.9Å; F117-F236 HydrophobicContact CZ-CZ 3.9Å; F117-S237 CarbonylContact O-C 3.48Å; F117-S237 WeakPolarHBondContact O-CA 3.41Å; F117-S237 WeakPolarHBondContact O-CB 3.43Å; F117-G238 WeakPolarHBondContact CD1-O 3.02Å; F117-G238 VanDerWaalsContact CE1-N 3.3Å; F117-G238 PolarHBondContact N-O 3.16Å; F117-G238 PolarHBondContact O-N 3.48Å |
| 118 | S | 98.7 | Very high | 91.5 | Very high | 31 Ų | 31 | 75.2 Ų | 75.2 | 22% | 0.217 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 129.5 | 164.3 | -61.7 | 0 | 0 | 0 | 0 | 108 | I137 T138 F236 S237 | S118-I137 WeakPolarHBondContact O-CA 3.48Å; S118-I137 WeakPolarHBondContact O-CB 3.33Å; S118-I137 PolarHBondContact O-N 2.98Å; S118-T138 PolarHBondContact N-O 3Å; S118-T138 PolarHBondContact O-N 3.04Å; S118-T138 VanDerWaalsContact O-N 3.15Å; S118-F236 WeakPolarHBondContact CA-O 3.3Å; S118-S237 VanDerWaalsContact CB-OG 3.31Å; S118-S237 WeakPolarHBondContact CB-OG 3Å; S118-S237 WeakPolarHBondContact OG-CB 3.3Å; S118-S237 PolarHBondContact OG-OG 2.9Å |
| 119 | A | 98.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 147.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | F133 T135 Y144 V235 F236 | A119-F133 HydrophobicContact CB-CB 3.7Å; A119-F133 WeakPolarHBondContact O-CD1 3.27Å; A119-T135 CarbonylContact C-O 3.53Å; A119-T135 VanDerWaalsContact CA-O 3.29Å; A119-T135 WeakPolarHBondContact CA-O 3.19Å; A119-Y144 HydrophobicContact CB-CD1 3.96Å; A119-Y144 HydrophobicContact CB-CE1 3.5Å; A119-V235 CarbonylContact O-C 3.46Å; A119-V235 WeakPolarHBondContact O-CA 3.36Å; A119-V235 WeakPolarHBondContact O-CG2 3.46Å; A119-F236 PolarHBondContact N-O 2.71Å; A119-F236 PolarHBondContact O-N 3.29Å |
| 120 | I | 97.9 | Very high | 93.2 | Very high | 9 Ų | 9 | 70.1 Ų | 70.1 | 5% | 0.046 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 162.2 | -177.6 | 52.8 | 168 | 0 | 0 | 0 | 112.2 | R122 F133 D134 T135 I137 D233 S234 V235 | I120-R122 HydrophobicContact CD1-CG 4.01Å; I120-R122 HydrophobicContact CG1-CG 4.43Å; I120-F133 CarbonylContact O-C 3.57Å; I120-D134 PolarHBondContact O-N 3.15Å; I120-T135 HydrophobicContact CD1-CG2 4.15Å; I120-T135 HydrophobicContact CG1-CG2 3.92Å; I120-T135 WeakPolarHBondContact CG1-O 3.39Å; I120-T135 PolarHBondContact N-O 2.8Å; I120-T135 PolarHBondContact O-N 3.44Å; I120-I137 HydrophobicContact CD1-CG1 4.49Å; I120-I137 HydrophobicContact CG1-CD1 4.36Å; I120-I137 HydrophobicContact CG1-CG1 4.24Å; I120-I137 HydrophobicContact CG2-CD1 3.6Å; I120-I137 HydrophobicContact CG2-CG1 4.33Å; I120-D233 HydrophobicContact CB-CB 4.06Å; I120-D233 HydrophobicContact CD1-CB 4.32Å; I120-D233 WeakPolarHBondContact CD1-OD2 3.19Å; I120-D233 HydrophobicContact CG2-CB 4.02Å; I120-S234 CarbonylContact C-O 3.56Å; I120-S234 WeakPolarHBondContact CA-O 3.28Å; I120-V235 HydrophobicContact CG2-CB 3.79Å; I120-V235 HydrophobicContact CG2-CG2 3.92Å |
| 121 | R | 96.3 | Very high | 94.1 | Very high | 36 Ų | 36 | 61.8 Ų | 61.8 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | trans | -95.5 | 108.2 | 174.6 | -67.1 | -176.4 | 59.1 | 80 | -4.6 | 110.5 | P124 I132 F133 D134 S234 | R121-P124 HydrophobicContact CB-CG 4.26Å; R121-P124 VanDerWaalsContact NH1-CB 3.28Å; R121-I132 PolarHBondContact NH1-O 3.26Å; R121-F133 HydrophobicContact CG-CB 4.46Å; R121-F133 HydrophobicContact CG-CD1 3.6Å; R121-F133 HydrophobicContact CG-CE1 3.94Å; R121-F133 HydrophobicContact CG-CG 4.06Å; R121-D134 WeakPolarHBondContact CA-OD1 3.5Å; R121-S234 PolarHBondContact N-O 2.82Å | ||
| 122 | R | 94.3 | Very high | 94.8 | Very high | 150 Ų | 150 | 56.8 Ų | 56.8 | 57% | 0.566 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -111.2 | -60 | 172.4 | -71.1 | -171.5 | -179.5 | 157.6 | 1.1 | 111.6 | I120 P124 D134 T135 | I120-R122 HydrophobicContact CD1-CG 4.01Å; I120-R122 HydrophobicContact CG1-CG 4.43Å; R122-P124 VanDerWaalsContact C-CD 3.4Å; R122-D134 PolarHBondContact N-OD1 3.25Å; R122-T135 HydrophobicContact CG-CG2 4.4Å |
| 123 | N | 93.7 | Very high | 95.2 | Very high | 130 Ų | 130 | 51.3 Ų | 51.3 | 70% | 0.695 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -133.9 | 62.9 | 175 | -166.9 | 24.2 | 0 | 0 | 0 | 111.7 | D134 | N123-D134 PolarHBondContact N-OD1 3.06Å; N123-D134 PolarHBondContact N-OD2 3.25Å |
| 124 | P | 93.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 145 | -176.1 | 27.5 | -35 | 0 | 0 | 0 | 111.6 | R121 R122 I132 D134 | R121-P124 HydrophobicContact CB-CG 4.26Å; R121-P124 VanDerWaalsContact NH1-CB 3.28Å; R122-P124 VanDerWaalsContact C-CD 3.4Å; P124-I132 HydrophobicContact CB-CB 4.49Å; P124-I132 WeakPolarHBondContact CB-O 3.44Å; P124-D134 WeakPolarHBondContact CA-OD1 3.41Å; P124-D134 HydrophobicContact CB-CB 4.42Å; P124-D134 WeakPolarHBondContact CB-OD1 3.05Å; P124-D134 VanDerWaalsContact CD-OD1 3.31Å; P124-D134 WeakPolarHBondContact CD-OD1 3.41Å |
| 125 | P | 92.2 | Very high | 95.6 | Very high | 78 Ų | 78 | 45 Ų | 45 | 51% | 0.506 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 142.4 | 172.8 | -23.2 | 32.3 | 0 | 0 | 0 | 112 | I132 | P125-I132 HydrophobicContact CB-CD1 4.26Å; P125-I132 HydrophobicContact CG-CD1 4.15Å |
| 126 | M | 85.7 | Confident | 95.6 | Very high | 177 Ų | 177 | 47.8 Ų | 47.8 | 87% | 0.872 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -86.5 | 142.5 | 176.7 | -64.7 | -177.1 | 75.3 | 0 | 0 | 111.2 | ||
| 127 | G | 87.7 | Confident | 95.6 | Very high | 59 Ų | 59 | 52 Ų | 52 | 61% | 0.608 | 30% | 0.298 | S | S | * | . | trans | 114.3 | 164 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 128 | G | 93.3 | Very high | 95.6 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 59% | 0.588 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 67 | -177.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K219 | G128-K219 WeakPolarHBondContact O-CE 3.31Š|
| 129 | N | 95.6 | Very high | 95.6 | Very high | 73 Ų | 73 | 54.5 Ų | 54.5 | 39% | 0.39 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -101.2 | -12.4 | -179.4 | -60.2 | -23.3 | 0 | 0 | 0 | 112.8 | E218 K219 | N129-E218 CarbonylContact O-C 3.54Å; N129-E218 VanDerWaalsContact O-CA 3.28Å; N129-E218 WeakPolarHBondContact O-CA 3.21Å; N129-K219 VanDerWaalsContact O-CG 3.3Å; N129-K219 WeakPolarHBondContact O-CG 3.46Å; N129-K219 PolarHBondContact O-N 3.32Å |
| 130 | V | 97.3 | Very high | 95.5 | Very high | 34 Ų | 34 | 58 Ų | 58 | 21% | 0.206 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -74.6 | 129.5 | 177.4 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | I132 S148 W216 | V130-I132 HydrophobicContact CG1-CG1 4.35Å; V130-I132 PolarHBondContact O-N 2.77Å; V130-S148 WeakPolarHBondContact CG1-O 3.48Å; V130-W216 HydrophobicContact CG1-CB 4.33Å; V130-W216 HydrophobicContact CG1-CG 4.33Å |
| 131 | V | 97.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | trans | -87.6 | 104.4 | 175.5 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | F133 L173 V217 K219 I226 | V131-F133 HydrophobicContact CB-CE2 4.08Å; V131-F133 HydrophobicContact CG1-CD2 4.36Å; V131-F133 HydrophobicContact CG1-CE2 3.59Å; V131-F133 HydrophobicContact CG1-CZ 3.72Å; V131-F133 WeakPolarHBondContact O-CD2 3.4Å; V131-F133 WeakPolarHBondContact O-CE2 3.31Å; V131-L173 HydrophobicContact CG2-CD2 4.05Å; V131-V217 HydrophobicContact CB-CB 4.11Å; V131-V217 HydrophobicContact CB-CG1 4.05Å; V131-V217 HydrophobicContact CG2-CB 4.49Å; V131-V217 HydrophobicContact CG2-CG1 3.96Å; V131-V217 PolarHBondContact N-O 3.17Å; V131-K219 HydrophobicContact CG2-CB 3.88Å; V131-K219 HydrophobicContact CG2-CG 4.05Å; V131-I226 HydrophobicContact CB-CD1 4.23Å; V131-I226 HydrophobicContact CG1-CD1 3.52Å; V131-I226 HydrophobicContact CG2-CD1 3.63Å | ||
| 132 | I | 97.9 | Very high | 95.4 | Very high | 22 Ų | 22 | 67.8 Ų | 67.8 | 11% | 0.113 | 37% | 0.374 | C | S | . | . | trans | -86 | 121.3 | -176.6 | -60.3 | 174.8 | 0 | 0 | 0 | 110.9 | R121 P124 P125 V130 D134 N146 | R121-I132 PolarHBondContact NH1-O 3.26Å; P124-I132 HydrophobicContact CB-CB 4.49Å; P124-I132 WeakPolarHBondContact CB-O 3.44Å; P125-I132 HydrophobicContact CB-CD1 4.26Å; P125-I132 HydrophobicContact CG-CD1 4.15Å; V130-I132 HydrophobicContact CG1-CG1 4.35Å; V130-I132 PolarHBondContact O-N 2.77Å; I132-D134 HydrophobicContact CG2-CB 4.45Å; I132-N146 WeakPolarHBondContact CG2-O 3.38Å | ||
| 133 | F | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -98.5 | 91.1 | 172.3 | -58.2 | -104.8 | 0 | 0 | 0 | 107.7 | A119 I120 R121 V131 T135 Y144 V165 V217 F236 | A119-F133 HydrophobicContact CB-CB 3.7Å; A119-F133 WeakPolarHBondContact O-CD1 3.27Å; I120-F133 CarbonylContact O-C 3.57Å; R121-F133 HydrophobicContact CG-CB 4.46Å; R121-F133 HydrophobicContact CG-CD1 3.6Å; R121-F133 HydrophobicContact CG-CE1 3.94Å; R121-F133 HydrophobicContact CG-CG 4.06Å; V131-F133 HydrophobicContact CB-CE2 4.08Å; V131-F133 HydrophobicContact CG1-CD2 4.36Å; V131-F133 HydrophobicContact CG1-CE2 3.59Å; V131-F133 HydrophobicContact CG1-CZ 3.72Å; V131-F133 WeakPolarHBondContact O-CD2 3.4Å; V131-F133 WeakPolarHBondContact O-CE2 3.31Å; F133-T135 PolarHBondContact O-N 3.33Å; F133-Y144 WeakPolarHBondContact CB-OH 3.42Å; F133-Y144 PolarHBondContact N-OH 2.82Å; F133-Y144 WeakPolarHBondContact O-CE1 3.19Å; F133-Y144 PolarHBondContact O-OH 2.97Å; F133-V165 HydrophobicContact CE1-CG2 4.2Å; F133-V165 HydrophobicContact CZ-CG2 3.9Å; F133-V217 HydrophobicContact CE2-CB 4.23Å; F133-V217 HydrophobicContact CE2-CG2 4.2Å; F133-F236 HydrophobicContact CD1-CB 3.76Å; F133-F236 HydrophobicContact CD2-CB 3.49Å; F133-F236 VanDerWaalsContact CD2-CB 3.49Å; F133-F236 HydrophobicContact CD2-CD1 4.15Å; F133-F236 HydrophobicContact CD2-CG 4.2Å; F133-F236 HydrophobicContact CE1-CB 3.7Å; F133-F236 HydrophobicContact CE2-CB 3.42Å; F133-F236 VanDerWaalsContact CE2-CB 3.42Å; F133-F236 HydrophobicContact CE2-CD1 4.31Å; F133-F236 HydrophobicContact CE2-CG 4.05Å; F133-F236 HydrophobicContact CG-CB 3.69Å; F133-F236 HydrophobicContact CZ-CB 3.54Å; F133-F236 HydrophobicContact CZ-CG 4.49Å | ||
| 134 | D | 97.1 | Very high | 95.9 | Very high | 28 Ų | 28 | 54.9 Ų | 54.9 | 15% | 0.15 | 32% | 0.316 | C | S | . | . | trans | -72.3 | -26.1 | -164.3 | 57.3 | -72.4 | 0 | 0 | 0 | 114.1 | I120 R121 R122 N123 P124 I132 N146 | I120-D134 PolarHBondContact O-N 3.15Å; R121-D134 WeakPolarHBondContact CA-OD1 3.5Å; R122-D134 PolarHBondContact N-OD1 3.25Å; N123-D134 PolarHBondContact N-OD1 3.06Å; N123-D134 PolarHBondContact N-OD2 3.25Å; P124-D134 WeakPolarHBondContact CA-OD1 3.41Å; P124-D134 HydrophobicContact CB-CB 4.42Å; P124-D134 WeakPolarHBondContact CB-OD1 3.05Å; P124-D134 VanDerWaalsContact CD-OD1 3.31Å; P124-D134 WeakPolarHBondContact CD-OD1 3.41Å; I132-D134 HydrophobicContact CG2-CB 4.45Å; D134-N146 WeakPolarHBondContact O-CB 3.31Å; D134-N146 PolarHBondContact O-ND2 2.87Å | ||
| 135 | T | 97.5 | Very high | 96.1 | Very high | 32 Ų | 32 | 58 Ų | 58 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 113.1 | -174.2 | -66.7 | 0 | 0 | 0 | 0 | 110.3 | A119 I120 R122 F133 | A119-T135 CarbonylContact C-O 3.53Å; A119-T135 VanDerWaalsContact CA-O 3.29Å; A119-T135 WeakPolarHBondContact CA-O 3.19Å; I120-T135 HydrophobicContact CD1-CG2 4.15Å; I120-T135 HydrophobicContact CG1-CG2 3.92Å; I120-T135 WeakPolarHBondContact CG1-O 3.39Å; I120-T135 PolarHBondContact N-O 2.8Å; I120-T135 PolarHBondContact O-N 3.44Å; R122-T135 HydrophobicContact CG-CG2 4.4Å; F133-T135 PolarHBondContact O-N 3.33Å |
| 136 | V | 98.5 | Very high | 96.3 | Very high | 57 Ų | 57 | 57.5 Ų | 57.5 | 35% | 0.345 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 130.9 | 179.8 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | N139 Y144 N146 | V136-N139 HydrophobicContact CG1-CB 3.62Å; V136-Y144 HydrophobicContact CG2-CD1 4.37Å; V136-N146 HydrophobicContact CG2-CB 3.9Å |
| 137 | I | 98.2 | Very high | 96.8 | Very high | 111 Ų | 111 | 55.2 Ų | 55.2 | 57% | 0.569 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -49.2 | 167.8 | -60.8 | 175.1 | 0 | 0 | 0 | 109.7 | S118 I120 | S118-I137 WeakPolarHBondContact O-CA 3.48Å; S118-I137 WeakPolarHBondContact O-CB 3.33Å; S118-I137 PolarHBondContact O-N 2.98Å; I120-I137 HydrophobicContact CD1-CG1 4.49Å; I120-I137 HydrophobicContact CG1-CD1 4.36Å; I120-I137 HydrophobicContact CG1-CG1 4.24Å; I120-I137 HydrophobicContact CG2-CD1 3.6Å; I120-I137 HydrophobicContact CG2-CG1 4.33Å |
| 138 | T | 98.5 | Very high | 97.3 | Very high | 49 Ų | 49 | 53.8 Ų | 53.8 | 30% | 0.301 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 147 | 175.3 | 178 | 0 | 0 | 0 | 0 | 109.3 | F117 S118 | F117-T138 CarbonylContact C-O 3.52Å; F117-T138 WeakPolarHBondContact CA-O 3.41Å; F117-T138 WeakPolarHBondContact CB-O 3.49Å; S118-T138 PolarHBondContact N-O 3Å; S118-T138 PolarHBondContact O-N 3.04Å; S118-T138 VanDerWaalsContact O-N 3.15Å |
| 139 | N | 98.3 | Very high | 97.5 | Very high | 38 Ų | 38 | 51 Ų | 51 | 20% | 0.203 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 66.9 | 178.6 | -163.6 | 19.3 | 0 | 0 | 0 | 110.1 | A116 F117 V136 E141 E142 P143 Y144 | A116-N139 CarbonylContact O-C 3.45Å; A116-N139 WeakPolarHBondContact O-CA 3.4Å; F117-N139 HydrophobicContact CB-CB 4.47Å; V136-N139 HydrophobicContact CG1-CB 3.62Å; N139-E141 PolarHBondContact O-N 3Å; N139-E142 PolarHBondContact O-N 2.79Å; N139-P143 WeakPolarHBondContact OD1-CD 3.39Å; N139-Y144 PolarHBondContact ND2-O 2.84Å; N139-Y144 WeakPolarHBondContact OD1-CB 3.45Å; N139-Y144 PolarHBondContact OD1-N 3.46Å |
| 140 | Q | 97.1 | Very high | 97.6 | Very high | 72 Ų | 72 | 51 Ų | 51 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 128.7 | -179.6 | -63.5 | 179.1 | 35.6 | 0 | 0 | 109.8 | R114 P115 A116 E142 P143 | R114-Q140 VanDerWaalsContact CZ-OE1 3.3Å; P115-Q140 WeakPolarHBondContact CA-O 3.48Å; A116-Q140 PolarHBondContact N-O 2.82Å; A116-Q140 PolarHBondContact O-N 3.32Å; Q140-E142 PolarHBondContact O-N 2.78Å; Q140-P143 WeakPolarHBondContact O-CD 3.29Å |
| 141 | E | 95.7 | Very high | 97.7 | Very high | 88 Ų | 88 | 49.4 Ų | 49.4 | 41% | 0.411 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 14.9 | -172.3 | -53.9 | 177.6 | -166.6 | 0 | 0 | 114.2 | R114 P115 N139 P143 | R114-E141 WeakPolarHBondContact CG-OE1 3.46Å; R114-E141 PolarHBondContact N-OE1 2.9Å; P115-E141 HydrophobicContact CB-CB 4.2Å; P115-E141 VanDerWaalsContact CD-OE2 3.3Å; P115-E141 WeakPolarHBondContact CD-OE2 3.45Å; N139-E141 PolarHBondContact O-N 3Å; E141-P143 WeakPolarHBondContact O-CD 3.3Å |
| 142 | E | 97.3 | Very high | 97.7 | Very high | 163 Ų | 163 | 50.6 Ų | 50.6 | 76% | 0.762 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 50.7 | 37.6 | 172.7 | -56.5 | -176.6 | 176.5 | 0 | 0 | 117.2 | N139 Q140 Y144 | N139-E142 PolarHBondContact O-N 2.79Å; Q140-E142 PolarHBondContact O-N 2.78Å; E142-Y144 VanDerWaalsContact C-N 3.27Å; E142-Y144 PolarHBondContact O-N 2.84Å |
| 143 | P | 98 | Very high | 97.7 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.013 | 25% | 0.249 | C | C | . | . | trans | -73 | -18 | -178.8 | 34.3 | -41.6 | 0 | 0 | 0 | 113.5 | P115 N139 Q140 E141 F151 V152 | P115-P143 HydrophobicContact CB-CB 4.34Å; P115-P143 HydrophobicContact CB-CG 4.01Å; N139-P143 WeakPolarHBondContact OD1-CD 3.39Å; Q140-P143 WeakPolarHBondContact O-CD 3.29Å; E141-P143 WeakPolarHBondContact O-CD 3.3Å; P143-F151 HydrophobicContact CB-CD2 3.73Å; P143-F151 HydrophobicContact CB-CE2 3.36Å; P143-F151 HydrophobicContact CB-CZ 4.04Å; P143-F151 HydrophobicContact CG-CD2 4.05Å; P143-F151 HydrophobicContact CG-CE2 3.69Å; P143-F151 CarbonylContact O-C 3.58Å; P143-F151 WeakPolarHBondContact O-CA 3.16Å; P143-V152 PolarHBondContact O-N 2.83Å | ||
| 144 | Y | 98.7 | Very high | 97.7 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 3% | 0.027 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.4 | -177.5 | -172.4 | -104 | 0 | 0 | 0 | 113.2 | F117 A119 F133 V136 N139 E142 N146 G149 F151 F236 | F117-Y144 HydrophobicContact CB-CG 4.46Å; F117-Y144 HydrophobicContact CD2-CD1 4.04Å; F117-Y144 AromaticContact CD2-CD2 3.53Å; F117-Y144 HydrophobicContact CD2-CD2 3.53Å; F117-Y144 HydrophobicContact CD2-CE2 4.2Å; F117-Y144 AromaticContact CD2-CG 3.44Å; F117-Y144 HydrophobicContact CD2-CG 3.44Å; F117-Y144 VanDerWaalsContact CD2-CG 3.44Å; F117-Y144 HydrophobicContact CE1-CD2 4.36Å; F117-Y144 HydrophobicContact CE2-CD1 4.48Å; F117-Y144 AromaticContact CE2-CD2 3.32Å; F117-Y144 HydrophobicContact CE2-CD2 3.32Å; F117-Y144 AromaticContact CE2-CE2 3.68Å; F117-Y144 HydrophobicContact CE2-CE2 3.68Å; F117-Y144 AromaticContact CE2-CG 3.78Å; F117-Y144 HydrophobicContact CE2-CG 3.78Å; F117-Y144 HydrophobicContact CG-CD2 4.16Å; F117-Y144 AromaticContact CG-CG 3.92Å; F117-Y144 HydrophobicContact CG-CG 3.92Å; F117-Y144 AromaticContact CZ-CD2 3.79Å; F117-Y144 HydrophobicContact CZ-CD2 3.79Å; F117-Y144 HydrophobicContact CZ-CE2 4.26Å; F117-Y144 HydrophobicContact CZ-CG 4.49Å; A119-Y144 HydrophobicContact CB-CD1 3.96Å; A119-Y144 HydrophobicContact CB-CE1 3.5Å; F133-Y144 WeakPolarHBondContact CB-OH 3.42Å; F133-Y144 PolarHBondContact N-OH 2.82Å; F133-Y144 WeakPolarHBondContact O-CE1 3.19Å; F133-Y144 PolarHBondContact O-OH 2.97Å; V136-Y144 HydrophobicContact CG2-CD1 4.37Å; N139-Y144 PolarHBondContact ND2-O 2.84Å; N139-Y144 WeakPolarHBondContact OD1-CB 3.45Å; N139-Y144 PolarHBondContact OD1-N 3.46Å; E142-Y144 VanDerWaalsContact C-N 3.27Å; E142-Y144 PolarHBondContact O-N 2.84Å; Y144-N146 HydrophobicContact CD1-CB 4.5Å; Y144-N146 HydrophobicContact CE1-CB 4.21Å; Y144-G149 VanDerWaalsContact OH-CA 3.3Å; Y144-G149 WeakPolarHBondContact OH-CA 3.47Å; Y144-F151 HydrophobicContact CD2-CB 4.35Å; Y144-F236 AromaticContact CE2-CD1 3.89Å; Y144-F236 HydrophobicContact CE2-CD1 3.89Å; Y144-F236 HydrophobicContact CE2-CE1 4.08Å |
| 145 | Q | 98.3 | Very high | 97.7 | Very high | 69 Ų | 69 | 52.8 Ų | 52.8 | 32% | 0.322 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 104.8 | 177.8 | -63.8 | 179.8 | 8.1 | 0 | 0 | 110.2 | H147 S148 G149 R150 V152 | Q145-H147 PolarHBondContact O-N 3.23Å; Q145-S148 VanDerWaalsContact CB-OG 3.32Å; Q145-S148 WeakPolarHBondContact CB-OG 3.45Å; Q145-S148 PolarHBondContact O-N 3.04Å; Q145-S148 PolarHBondContact O-OG 3.42Å; Q145-S148 PolarHBondContact OE1-OG 3.02Å; Q145-G149 PolarHBondContact O-N 3.07Å; Q145-R150 WeakPolarHBondContact CB-O 3.22Å; Q145-R150 PolarHBondContact N-O 2.88Å; Q145-R150 PolarHBondContact O-N 2.78Å; Q145-V152 HydrophobicContact CG-CG2 4.44Å |
| 146 | N | 97.5 | Very high | 97.7 | Very high | 68 Ų | 68 | 53.7 Ų | 53.7 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -26.2 | -174.2 | 67.2 | -22.4 | 0 | 0 | 0 | 114.8 | I132 D134 V136 Y144 | I132-N146 WeakPolarHBondContact CG2-O 3.38Å; D134-N146 WeakPolarHBondContact O-CB 3.31Å; D134-N146 PolarHBondContact O-ND2 2.87Å; V136-N146 HydrophobicContact CG2-CB 3.9Å; Y144-N146 HydrophobicContact CD1-CB 4.5Å; Y144-N146 HydrophobicContact CE1-CB 4.21Å |
| 147 | H | 96.1 | Very high | 97.6 | Very high | 129 Ų | 129 | 51 Ų | 51 | 60% | 0.597 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -31 | 177 | 60.8 | -89.3 | 0 | 0 | 0 | 112.6 | Q145 | Q145-H147 PolarHBondContact O-N 3.23Š|
| 148 | S | 97.1 | Very high | 97.6 | Very high | 28 Ų | 28 | 49.3 Ų | 49.3 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -15.1 | -177.4 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | V130 Q145 R150 | V130-S148 WeakPolarHBondContact CG1-O 3.48Å; Q145-S148 VanDerWaalsContact CB-OG 3.32Å; Q145-S148 WeakPolarHBondContact CB-OG 3.45Å; Q145-S148 PolarHBondContact O-N 3.04Å; Q145-S148 PolarHBondContact O-OG 3.42Å; Q145-S148 PolarHBondContact OE1-OG 3.02Å; S148-R150 VanDerWaalsContact C-N 3.31Å |
| 149 | G | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 17.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y144 Q145 W216 | Y144-G149 VanDerWaalsContact OH-CA 3.3Å; Y144-G149 WeakPolarHBondContact OH-CA 3.47Å; Q145-G149 PolarHBondContact O-N 3.07Å; G149-W216 WeakPolarHBondContact O-CB 3.47Å |
| 150 | R | 98.1 | Very high | 97.7 | Very high | 73 Ų | 73 | 49.1 Ų | 49.1 | 28% | 0.275 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.7 | -169.3 | -59.4 | -171.7 | 174.3 | -158 | -2.9 | 112.4 | Q145 S148 W216 | Q145-R150 WeakPolarHBondContact CB-O 3.22Å; Q145-R150 PolarHBondContact N-O 2.88Å; Q145-R150 PolarHBondContact O-N 2.78Å; S148-R150 VanDerWaalsContact C-N 3.31Å; R150-W216 HydrophobicContact CG-CB 4.09Å; R150-W216 HydrophobicContact CG-CD2 4.47Å; R150-W216 HydrophobicContact CG-CE3 4.28Å; R150-W216 HydrophobicContact CG-CG 4.43Å |
| 151 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 139.9 | 159.7 | 172.3 | -86.4 | 0 | 0 | 0 | 109.6 | F117 P143 Y144 C153 Y159 F161 L209 Q214 V215 | F117-F151 AromaticContact CD1-CD2 3.67Å; F117-F151 HydrophobicContact CD1-CD2 3.67Å; F117-F151 HydrophobicContact CD1-CE2 4.25Å; F117-F151 HydrophobicContact CE1-CB 4.1Å; F117-F151 AromaticContact CE1-CD2 3.44Å; F117-F151 HydrophobicContact CE1-CD2 3.44Å; F117-F151 VanDerWaalsContact CE1-CD2 3.44Å; F117-F151 HydrophobicContact CE1-CE2 4.24Å; F117-F151 HydrophobicContact CE1-CG 4.12Å; F117-F151 HydrophobicContact CZ-CB 4.36Å; F117-F151 HydrophobicContact CZ-CD2 4.46Å; P143-F151 HydrophobicContact CB-CD2 3.73Å; P143-F151 HydrophobicContact CB-CE2 3.36Å; P143-F151 HydrophobicContact CB-CZ 4.04Å; P143-F151 HydrophobicContact CG-CD2 4.05Å; P143-F151 HydrophobicContact CG-CE2 3.69Å; P143-F151 CarbonylContact O-C 3.58Å; P143-F151 WeakPolarHBondContact O-CA 3.16Å; Y144-F151 HydrophobicContact CD2-CB 4.35Å; F151-C153 HydrophobicContact CE1-CB 3.94Å; F151-Y159 HydrophobicContact CE1-CD1 4.41Å; F151-Y159 HydrophobicContact CE1-CE1 4.34Å; F151-Y159 HydrophobicContact CE2-CD1 4.25Å; F151-Y159 HydrophobicContact CE2-CE1 4.02Å; F151-Y159 AromaticContact CZ-CD1 3.7Å; F151-Y159 HydrophobicContact CZ-CD1 3.7Å; F151-Y159 AromaticContact CZ-CE1 3.39Å; F151-Y159 HydrophobicContact CZ-CE1 3.39Å; F151-Y159 HydrophobicContact CZ-CG 4.39Å; F151-Y159 AromaticContact CZ-CZ 3.85Å; F151-F161 HydrophobicContact CB-CE1 4Å; F151-F161 AromaticContact CD1-CE1 3.82Å; F151-F161 HydrophobicContact CD1-CE1 3.82Å; F151-F161 AromaticContact CD1-CZ 3.61Å; F151-F161 HydrophobicContact CD1-CZ 3.61Å; F151-F161 AromaticContact CD2-CE1 3.89Å; F151-F161 HydrophobicContact CD2-CE1 3.89Å; F151-F161 HydrophobicContact CD2-CZ 4.33Å; F151-F161 HydrophobicContact CE1-CE1 4.28Å; F151-F161 AromaticContact CE1-CZ 3.76Å; F151-F161 HydrophobicContact CE1-CZ 3.76Å; F151-F161 HydrophobicContact CE2-CE1 4.28Å; F151-F161 HydrophobicContact CE2-CZ 4.4Å; F151-F161 AromaticContact CG-CE1 3.63Å; F151-F161 HydrophobicContact CG-CE1 3.63Å; F151-F161 AromaticContact CG-CZ 3.93Å; F151-F161 HydrophobicContact CG-CZ 3.93Å; F151-F161 HydrophobicContact CZ-CE1 4.5Å; F151-F161 HydrophobicContact CZ-CZ 4.17Å; F151-L209 HydrophobicContact CD1-CD1 4.22Å; F151-L209 HydrophobicContact CE1-CD1 3.67Å; F151-Q214 CarbonylContact O-C 3.59Å; F151-Q214 VanDerWaalsContact O-CA 3.22Å; F151-Q214 WeakPolarHBondContact O-CA 3.33Å; F151-V215 HydrophobicContact CB-CB 4.28Å; F151-V215 HydrophobicContact CD1-CB 4.25Å; F151-V215 HydrophobicContact CD1-CG2 4.29Å; F151-V215 PolarHBondContact N-O 2.88Å; F151-V215 PolarHBondContact O-N 2.87Å |
| 152 | V | 98.1 | Very high | 97.9 | Very high | 27 Ų | 27 | 42.6 Ų | 42.6 | 16% | 0.164 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 122.5 | 173.8 | -173.6 | 0 | 0 | 0 | 0 | 109.1 | P143 Q145 T154 Q214 | P143-V152 PolarHBondContact O-N 2.83Å; Q145-V152 HydrophobicContact CG-CG2 4.44Å; V152-T154 PolarHBondContact O-N 3.26Å; V152-Q214 HydrophobicContact CG2-CG 4.17Å |
| 153 | C | 98 | Very high | 97.9 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | trans | -71.4 | 113.2 | -178.7 | -175.7 | 0 | 0 | 0 | 0 | 111 | F151 V155 L209 Q210 G212 D213 | F151-C153 HydrophobicContact CE1-CB 3.94Å; C153-V155 PolarHBondContact SG-O 2.83Å; C153-L209 HydrophobicContact CB-CB 4.05Å; C153-L209 HydrophobicContact CB-CD1 4.18Å; C153-Q210 WeakPolarHBondContact CB-O 3.5Å; C153-Q210 PolarHBondContact SG-O 2.93Å; C153-G212 PolarHBondContact O-N 2.89Å; C153-D213 HydrophobicContact CB-CB 4.28Å; C153-D213 WeakPolarHBondContact CB-O 3.3Å; C153-D213 PolarHBondContact N-O 2.8Å | ||
| 154 | T | 96.6 | Very high | 97.9 | Very high | 64 Ų | 64 | 38.3 Ų | 38.3 | 39% | 0.393 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -93.9 | -28.9 | 172.8 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | V152 | V152-T154 PolarHBondContact O-N 3.26Š|
| 155 | V | 97.1 | Very high | 97.8 | Very high | 30 Ų | 30 | 38 Ų | 38 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -120.4 | 111.8 | -177.8 | -180 | 0 | 0 | 0 | 0 | 109.1 | P113 P115 C153 G157 Y159 L240 P243 | P113-V155 HydrophobicContact CB-CB 4.41Å; P113-V155 HydrophobicContact CB-CG1 3.93Å; P113-V155 HydrophobicContact CB-CG2 3.86Å; P113-V155 HydrophobicContact CG-CG1 3.88Å; P115-V155 HydrophobicContact CG-CB 4.5Å; C153-V155 PolarHBondContact SG-O 2.83Å; V155-G157 PolarHBondContact O-N 3.18Å; V155-Y159 VanDerWaalsContact O-CE2 3.3Å; V155-Y159 WeakPolarHBondContact O-CE2 3.4Å; V155-Y159 PolarHBondContact O-OH 2.89Å; V155-L240 HydrophobicContact CG1-CD2 4.2Å; V155-P243 HydrophobicContact CG1-CB 4.27Å |
| 156 | P | 97.8 | Very high | 97.6 | Very high | 52 Ų | 52 | 35.7 Ų | 35.7 | 34% | 0.338 | 18% | 0.178 | S | C | . | . | trans | -55.8 | 137.4 | 176.7 | -25 | 33.8 | 0 | 0 | 0 | 112 | L209 Q211 P243 S244 | P156-L209 WeakPolarHBondContact CA-O 3.31Å; P156-Q211 HydrophobicContact CG-CB 4.05Å; P156-P243 WeakPolarHBondContact O-CA 3.41Å; P156-S244 PolarHBondContact O-N 2.83Å | ||
| 157 | G | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.1 | -169.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V155 Q208 L209 F242 S244 | V155-G157 PolarHBondContact O-N 3.18Å; G157-Q208 WeakPolarHBondContact O-CA 3.37Å; G157-L209 PolarHBondContact N-O 3.14Å; G157-L209 PolarHBondContact O-N 3.39Å; G157-F242 WeakPolarHBondContact CA-O 3.41Å; G157-S244 VanDerWaalsContact CA-OG 3.31Å; G157-S244 WeakPolarHBondContact CA-OG 3.37Å; G157-S244 PolarHBondContact N-OG 2.78Å |
| 158 | Y | 98.1 | Very high | 97.3 | Very high | 76 Ų | 76 | 28.1 Ų | 28.1 | 30% | 0.298 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.3 | 176.2 | -68.8 | -100 | 0 | 0 | 0 | 109.4 | V206 L207 Q208 I241 F242 | Y158-V206 HydrophobicContact CD1-CG1 4.41Å; Y158-L207 WeakPolarHBondContact CA-O 3.37Å; Y158-Q208 HydrophobicContact CD1-CB 3.98Å; Y158-Q208 HydrophobicContact CD1-CG 4.31Å; Y158-Q208 HydrophobicContact CD2-CG 4.48Å; Y158-Q208 HydrophobicContact CE1-CB 3.76Å; Y158-Q208 HydrophobicContact CE1-CG 3.92Å; Y158-Q208 HydrophobicContact CE2-CG 4.12Å; Y158-Q208 PolarHBondContact OH-NE2 3.23Å; Y158-Q208 PolarHBondContact OH-OE1 2.8Å; Y158-I241 WeakPolarHBondContact O-CB 3.3Å; Y158-I241 WeakPolarHBondContact O-CG1 3.18Å; Y158-I241 PolarHBondContact O-N 3.44Å; Y158-F242 HydrophobicContact CD1-CE2 4.49Å; Y158-F242 HydrophobicContact CD1-CZ 4.2Å; Y158-F242 AromaticContact CD2-CD2 3.63Å; Y158-F242 HydrophobicContact CD2-CD2 3.63Å; Y158-F242 HydrophobicContact CD2-CE1 4.49Å; Y158-F242 AromaticContact CD2-CE2 2.98Å; Y158-F242 HydrophobicContact CD2-CE2 2.98Å; Y158-F242 AromaticContact CD2-CZ 3.49Å; Y158-F242 HydrophobicContact CD2-CZ 3.49Å; Y158-F242 VanDerWaalsContact CD2-CZ 3.49Å; Y158-F242 HydrophobicContact CE2-CD2 4.3Å; Y158-F242 AromaticContact CE2-CE2 3.43Å; Y158-F242 HydrophobicContact CE2-CE2 3.43Å; Y158-F242 VanDerWaalsContact CE2-CE2 3.43Å; Y158-F242 HydrophobicContact CE2-CZ 4.03Å; Y158-F242 HydrophobicContact CG-CD2 4.31Å; Y158-F242 HydrophobicContact CG-CE1 4.32Å; Y158-F242 AromaticContact CG-CE2 3.59Å; Y158-F242 HydrophobicContact CG-CE2 3.59Å; Y158-F242 AromaticContact CG-CZ 3.56Å; Y158-F242 HydrophobicContact CG-CZ 3.56Å; Y158-F242 PolarHBondContact N-O 2.75Å |
| 159 | Y | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 141.7 | -176.3 | -75.5 | -96.6 | 0 | 0 | 0 | 110.4 | P115 F151 V155 F161 V206 L207 L209 F239 L240 | P115-Y159 HydrophobicContact CG-CE1 3.89Å; P115-Y159 VanDerWaalsContact CG-OH 3.27Å; P115-Y159 WeakPolarHBondContact CG-OH 3.34Å; F151-Y159 HydrophobicContact CE1-CD1 4.41Å; F151-Y159 HydrophobicContact CE1-CE1 4.34Å; F151-Y159 HydrophobicContact CE2-CD1 4.25Å; F151-Y159 HydrophobicContact CE2-CE1 4.02Å; F151-Y159 AromaticContact CZ-CD1 3.7Å; F151-Y159 HydrophobicContact CZ-CD1 3.7Å; F151-Y159 AromaticContact CZ-CE1 3.39Å; F151-Y159 HydrophobicContact CZ-CE1 3.39Å; F151-Y159 HydrophobicContact CZ-CG 4.39Å; F151-Y159 AromaticContact CZ-CZ 3.85Å; V155-Y159 VanDerWaalsContact O-CE2 3.3Å; V155-Y159 WeakPolarHBondContact O-CE2 3.4Å; V155-Y159 PolarHBondContact O-OH 2.89Å; Y159-F161 HydrophobicContact CD1-CZ 4.36Å; Y159-F161 HydrophobicContact CG-CE2 4.27Å; Y159-F161 HydrophobicContact CG-CZ 4.24Å; Y159-V206 CarbonylContact O-C 3.59Å; Y159-V206 VanDerWaalsContact O-CA 3.24Å; Y159-V206 WeakPolarHBondContact O-CA 3.2Å; Y159-L207 PolarHBondContact N-O 2.92Å; Y159-L207 PolarHBondContact O-N 2.91Å; Y159-L209 HydrophobicContact CD2-CB 4.2Å; Y159-L209 HydrophobicContact CD2-CD1 3.81Å; Y159-L209 HydrophobicContact CD2-CG 4.17Å; Y159-L209 HydrophobicContact CE2-CB 4.46Å; Y159-L209 HydrophobicContact CE2-CD1 4.39Å; Y159-L209 HydrophobicContact CG-CD1 4.12Å; Y159-F239 WeakPolarHBondContact CA-O 3.22Å; Y159-F239 VanDerWaalsContact CD1-C 3.5Å; Y159-F239 WeakPolarHBondContact CD1-O 3.16Å; Y159-L240 HydrophobicContact CD1-CB 4.15Å; Y159-L240 HydrophobicContact CD1-CD1 4.49Å; Y159-L240 HydrophobicContact CD2-CD1 4.04Å; Y159-L240 HydrophobicContact CE1-CB 3.67Å; Y159-L240 HydrophobicContact CE1-CD1 4.05Å; Y159-L240 HydrophobicContact CE1-CG 4.47Å; Y159-L240 HydrophobicContact CE2-CD1 3.56Å; Y159-L240 HydrophobicContact CG-CD1 4.49Å |
| 160 | Y | 98.6 | Very high | 96.9 | Very high | 82 Ų | 82 | 34.6 Ų | 34.6 | 32% | 0.322 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 132.3 | 166.4 | -178.7 | -111.7 | 0 | 0 | 0 | 109.2 | T162 V206 G238 F239 | Y160-T162 HydrophobicContact CE1-CG2 3.88Å; Y160-V206 HydrophobicContact CD2-CG2 3.9Å; Y160-G238 CarbonylContact O-C 3.56Å; Y160-G238 WeakPolarHBondContact O-CA 3.3Å; Y160-F239 HydrophobicContact CD1-CD1 4.42Å; Y160-F239 AromaticContact CD1-CE1 3.55Å; Y160-F239 HydrophobicContact CD1-CE1 3.55Å; Y160-F239 AromaticContact CD1-CZ 3.86Å; Y160-F239 HydrophobicContact CD1-CZ 3.86Å; Y160-F239 HydrophobicContact CE1-CE1 4.48Å; Y160-F239 HydrophobicContact CG-CE1 4.29Å; Y160-F239 HydrophobicContact CG-CZ 4.27Å; Y160-F239 PolarHBondContact N-O 3.22Å; Y160-F239 PolarHBondContact O-N 3.46Å |
| 161 | F | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142.2 | 174.1 | -63.9 | -84.9 | 0 | 0 | 0 | 109.6 | F117 F151 Y159 I175 G204 M205 L207 L209 V215 F236 S237 | F117-F161 HydrophobicContact CE1-CD1 4.11Å; F117-F161 AromaticContact CE1-CE1 3.9Å; F117-F161 HydrophobicContact CE1-CE1 3.9Å; F117-F161 HydrophobicContact CZ-CD1 4.25Å; F117-F161 HydrophobicContact CZ-CE1 4.37Å; F151-F161 HydrophobicContact CB-CE1 4Å; F151-F161 AromaticContact CD1-CE1 3.82Å; F151-F161 HydrophobicContact CD1-CE1 3.82Å; F151-F161 AromaticContact CD1-CZ 3.61Å; F151-F161 HydrophobicContact CD1-CZ 3.61Å; F151-F161 AromaticContact CD2-CE1 3.89Å; F151-F161 HydrophobicContact CD2-CE1 3.89Å; F151-F161 HydrophobicContact CD2-CZ 4.33Å; F151-F161 HydrophobicContact CE1-CE1 4.28Å; F151-F161 AromaticContact CE1-CZ 3.76Å; F151-F161 HydrophobicContact CE1-CZ 3.76Å; F151-F161 HydrophobicContact CE2-CE1 4.28Å; F151-F161 HydrophobicContact CE2-CZ 4.4Å; F151-F161 AromaticContact CG-CE1 3.63Å; F151-F161 HydrophobicContact CG-CE1 3.63Å; F151-F161 AromaticContact CG-CZ 3.93Å; F151-F161 HydrophobicContact CG-CZ 3.93Å; F151-F161 HydrophobicContact CZ-CE1 4.5Å; F151-F161 HydrophobicContact CZ-CZ 4.17Å; Y159-F161 HydrophobicContact CD1-CZ 4.36Å; Y159-F161 HydrophobicContact CG-CE2 4.27Å; Y159-F161 HydrophobicContact CG-CZ 4.24Å; F161-I175 HydrophobicContact CB-CD1 4.13Å; F161-G204 CarbonylContact O-C 3.59Å; F161-G204 WeakPolarHBondContact O-CA 3.41Å; F161-M205 PolarHBondContact N-O 3.02Å; F161-M205 PolarHBondContact O-N 2.89Å; F161-L207 HydrophobicContact CD2-CB 4.44Å; F161-L207 HydrophobicContact CD2-CD1 3.93Å; F161-L207 HydrophobicContact CD2-CG 4.42Å; F161-L207 HydrophobicContact CE2-CB 4.23Å; F161-L207 HydrophobicContact CE2-CD1 4.01Å; F161-L209 HydrophobicContact CE2-CD1 3.91Å; F161-L209 HydrophobicContact CZ-CD1 3.87Å; F161-V215 HydrophobicContact CD1-CG1 4.17Å; F161-V215 HydrophobicContact CD2-CG1 4.16Å; F161-V215 HydrophobicContact CE1-CB 4.14Å; F161-V215 HydrophobicContact CE1-CG1 4.14Å; F161-V215 HydrophobicContact CE2-CB 4.31Å; F161-V215 HydrophobicContact CE2-CG1 4.13Å; F161-V215 HydrophobicContact CE2-CG2 3.93Å; F161-V215 HydrophobicContact CG-CG1 4.17Å; F161-V215 HydrophobicContact CZ-CB 3.96Å; F161-V215 HydrophobicContact CZ-CG1 4.13Å; F161-V215 HydrophobicContact CZ-CG2 3.84Å; F161-F236 HydrophobicContact CB-CE2 4.06Å; F161-F236 HydrophobicContact CB-CZ 4.42Å; F161-F236 HydrophobicContact CD1-CE2 4.21Å; F161-F236 AromaticContact CD1-CZ 3.83Å; F161-F236 HydrophobicContact CD1-CZ 3.83Å; F161-F236 HydrophobicContact CG-CZ 4.48Å; F161-S237 WeakPolarHBondContact CA-O 3.23Å |
| 162 | T | 98.3 | Very high | 96.6 | Very high | 24 Ų | 24 | 32 Ų | 32 | 15% | 0.147 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 146.7 | 176.2 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | Y160 G203 F236 S237 | Y160-T162 HydrophobicContact CE1-CG2 3.88Å; T162-G203 CarbonylContact C-O 3.53Å; T162-G203 WeakPolarHBondContact CA-O 3.17Å; T162-G203 PolarHBondContact OG1-O 2.89Å; T162-F236 VanDerWaalsContact O-CD2 3.26Å; T162-F236 WeakPolarHBondContact O-CD2 3.42Å; T162-S237 PolarHBondContact N-O 2.9Å; T162-S237 PolarHBondContact O-N 2.04Å |
| 163 | F | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 152.6 | 170.9 | 64.3 | -99.2 | 0 | 0 | 0 | 110.6 | V165 L173 I175 F189 V201 S202 G203 V217 V235 F236 | F163-V165 HydrophobicContact CB-CG2 4.25Å; F163-V165 HydrophobicContact CD2-CB 4.34Å; F163-V165 HydrophobicContact CD2-CG2 3.77Å; F163-V165 HydrophobicContact CG-CG2 4.34Å; F163-L173 HydrophobicContact CD2-CD1 3.98Å; F163-L173 HydrophobicContact CE1-CB 4.37Å; F163-L173 HydrophobicContact CE2-CB 3.98Å; F163-L173 HydrophobicContact CE2-CD1 3.63Å; F163-L173 HydrophobicContact CE2-CG 4.41Å; F163-L173 HydrophobicContact CZ-CB 3.67Å; F163-L173 HydrophobicContact CZ-CD1 4.17Å; F163-I175 HydrophobicContact CD1-CD1 4.07Å; F163-I175 HydrophobicContact CD1-CG1 3.94Å; F163-I175 HydrophobicContact CE1-CD1 4.19Å; F163-I175 HydrophobicContact CE1-CG1 3.89Å; F163-F189 HydrophobicContact CE1-CD2 4.01Å; F163-F189 HydrophobicContact CE1-CE2 4.46Å; F163-F189 HydrophobicContact CZ-CB 4.08Å; F163-F189 AromaticContact CZ-CD2 3.77Å; F163-F189 HydrophobicContact CZ-CD2 3.77Å; F163-F189 HydrophobicContact CZ-CG 4.17Å; F163-V201 HydrophobicContact CE2-CG1 4Å; F163-V201 WeakPolarHBondContact CE2-O 3.28Å; F163-S202 VanDerWaalsContact O-CA 3.28Å; F163-S202 WeakPolarHBondContact O-CA 3.01Å; F163-G203 PolarHBondContact N-O 3.34Å; F163-G203 PolarHBondContact O-N 2.83Å; F163-G203 VanDerWaalsContact O-N 3.09Å; F163-V217 HydrophobicContact CB-CG2 4.45Å; F163-V217 HydrophobicContact CD1-CG2 4.04Å; F163-V217 HydrophobicContact CG-CG2 4.48Å; F163-V235 CarbonylContact C-O 3.51Å; F163-V235 WeakPolarHBondContact CA-O 3.2Å; F163-V235 WeakPolarHBondContact CB-O 3.37Å; F163-F236 HydrophobicContact CB-CB 4.43Å; F163-F236 HydrophobicContact CB-CD2 4.01Å |
| 164 | Q | 97.5 | Very high | 96.5 | Very high | 75 Ų | 75 | 31.8 Ų | 31.8 | 35% | 0.35 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 110.2 | 162.6 | -63 | 91.1 | 6.3 | 0 | 0 | 107.1 | V200 S234 V235 | Q164-V200 HydrophobicContact CB-CG1 4.01Å; Q164-S234 CarbonylContact O-C 3.51Å; Q164-S234 WeakPolarHBondContact O-CA 3.42Å; Q164-V235 HydrophobicContact CB-CG1 3.9Å; Q164-V235 PolarHBondContact N-O 2.81Å; Q164-V235 PolarHBondContact O-N 2.94Å |
| 165 | V | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 129.5 | -175.3 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | F133 F163 I171 L173 V200 V201 I226 | F133-V165 HydrophobicContact CE1-CG2 4.2Å; F133-V165 HydrophobicContact CZ-CG2 3.9Å; F163-V165 HydrophobicContact CB-CG2 4.25Å; F163-V165 HydrophobicContact CD2-CB 4.34Å; F163-V165 HydrophobicContact CD2-CG2 3.77Å; F163-V165 HydrophobicContact CG-CG2 4.34Å; V165-I171 HydrophobicContact CB-CD1 4.35Å; V165-I171 HydrophobicContact CG1-CD1 3.67Å; V165-L173 HydrophobicContact CB-CD1 3.5Å; V165-L173 HydrophobicContact CG1-CD1 3.81Å; V165-L173 HydrophobicContact CG2-CD1 3.49Å; V165-L173 VanDerWaalsContact CG2-CD1 3.49Å; V165-V200 CarbonylContact O-C 3.5Å; V165-V200 WeakPolarHBondContact O-CA 3.19Å; V165-V201 PolarHBondContact N-O 2.92Å; V165-V201 PolarHBondContact O-N 3.16Å; V165-I226 HydrophobicContact CG1-CB 4.32Å; V165-I226 HydrophobicContact CG1-CD1 4.07Å; V165-I226 HydrophobicContact CG1-CG1 3.89Å; V165-I226 HydrophobicContact CG1-CG2 3.62Å |
| 166 | L | 94.7 | Very high | 96.6 | Very high | 20 Ų | 20 | 27.4 Ų | 27.4 | 11% | 0.105 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 143.2 | 179 | -67.1 | 117.5 | 0 | 0 | 0 | 111.6 | Q199 V200 Y227 A232 D233 S234 | L166-Q199 CarbonylContact C-O 3.32Å; L166-Q199 VanDerWaalsContact CA-O 3.29Å; L166-Q199 WeakPolarHBondContact CA-O 3.11Å; L166-V200 HydrophobicContact CD2-CG2 3.87Å; L166-V200 HydrophobicContact CG-CG2 4.08Å; L166-Y227 HydrophobicContact CB-CD1 4.48Å; L166-Y227 PolarHBondContact O-N 2.93Å; L166-A232 HydrophobicContact CD1-CB 3.74Å; L166-A232 HydrophobicContact CD2-CB 3.62Å; L166-A232 HydrophobicContact CG-CB 4.32Å; L166-D233 WeakPolarHBondContact CD1-O 3.34Å; L166-S234 PolarHBondContact N-OG 2.86Å |
| 167 | S | 94.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 162.4 | 172.3 | -175.9 | 0 | 0 | 0 | 0 | 110.8 | W169 Q199 H225 | S167-W169 PolarHBondContact OG-N 3.03Å; S167-W169 PolarHBondContact OG-O 3.45Å; S167-Q199 PolarHBondContact N-O 2.93Å; S167-Q199 WeakPolarHBondContact O-CG 3.35Å; S167-Q199 PolarHBondContact O-N 2.92Å; S167-H225 WeakPolarHBondContact CB-O 3.44Å; S167-H225 PolarHBondContact OG-O 2.99Å |
| 168 | Q | 92.1 | Very high | 96.6 | Very high | 39 Ų | 39 | 26.5 Ų | 26.5 | 18% | 0.182 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -114.4 | 2.6 | 163 | -63.4 | 176.3 | -34.3 | 0 | 0 | 112.5 | G196 L197 F198 Y227 | Q168-G196 WeakPolarHBondContact O-CA 3.33Å; Q168-G196 PolarHBondContact O-N 2.82Å; Q168-L197 WeakPolarHBondContact CA-O 3.3Å; Q168-F198 HydrophobicContact CG-CD1 3.89Å; Q168-F198 HydrophobicContact CG-CE1 4.07Å; Q168-F198 HydrophobicContact CG-CG 4.34Å; Q168-Y227 HydrophobicContact CG-CD2 4.15Å |
| 169 | W | 92.8 | Very high | 96.4 | Very high | 108 Ų | 108 | 24 Ų | 24 | 41% | 0.409 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -138.9 | 176.8 | -171.4 | -58.2 | -85.3 | 0 | 0 | 0 | 111.3 | S167 I171 T193 Q199 H225 | S167-W169 PolarHBondContact OG-N 3.03Å; S167-W169 PolarHBondContact OG-O 3.45Å; W169-I171 PolarHBondContact O-N 3.19Å; W169-T193 CarbonylContact C-O 3.53Å; W169-Q199 PolarHBondContact O-NE2 2.78Å; W169-H225 HydrophobicContact CB-CB 3.78Å; W169-H225 HydrophobicContact CD2-CB 4.42Å; W169-H225 HydrophobicContact CE3-CB 4.18Å; W169-H225 HydrophobicContact CG-CB 4.3Å |
| 170 | E | 93.5 | Very high | 96.1 | Very high | 56 Ų | 56 | 33.9 Ų | 33.9 | 26% | 0.262 | 16% | 0.155 | S | C | . | . | trans | -53.2 | 126.7 | 174.6 | -63.7 | -166.4 | 88.6 | 0 | 0 | 111.9 | D191 N194 K223 | E170-D191 WeakPolarHBondContact CA-O 3.25Å; E170-N194 HydrophobicContact CG-CB 4.35Å; E170-K223 HydrophobicContact CB-CB 4.26Å; E170-K223 HydrophobicContact CB-CD 4.47Å; E170-K223 HydrophobicContact CB-CG 4.3Å; E170-K223 CarbonylContact O-C 3.45Å; E170-K223 WeakPolarHBondContact OE1-CE 3.42Å; E170-K223 IonicContact OE1-NZ 2.75Å; E170-K223 PolarHBondContact OE1-NZ 3.43Å | ||
| 171 | I | 95.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 131.1 | -176.2 | 178.3 | 163.4 | 0 | 0 | 0 | 109.9 | V165 W169 L173 C190 D191 V201 K223 I226 | V165-I171 HydrophobicContact CB-CD1 4.35Å; V165-I171 HydrophobicContact CG1-CD1 3.67Å; W169-I171 PolarHBondContact O-N 3.19Å; I171-L173 HydrophobicContact CD1-CD1 4.03Å; I171-L173 HydrophobicContact CD1-CD2 4.38Å; I171-L173 HydrophobicContact CD1-CG 4.14Å; I171-L173 HydrophobicContact CG1-CD1 4.33Å; I171-L173 HydrophobicContact CG1-CD2 4.21Å; I171-L173 HydrophobicContact CG1-CG 3.92Å; I171-C190 CarbonylContact O-C 3.53Å; I171-C190 VanDerWaalsContact O-CA 3.23Å; I171-C190 WeakPolarHBondContact O-CA 3.37Å; I171-D191 HydrophobicContact CG2-CB 4.15Å; I171-D191 PolarHBondContact N-O 3.49Å; I171-D191 PolarHBondContact O-N 2.93Å; I171-V201 HydrophobicContact CG2-CB 4.42Å; I171-V201 HydrophobicContact CG2-CG2 3.41Å; I171-V201 VanDerWaalsContact CG2-CG2 3.41Å; I171-K223 CarbonylContact C-O 3.56Å; I171-K223 VanDerWaalsContact CA-O 3.3Å; I171-K223 WeakPolarHBondContact CA-O 3.49Å; I171-I226 HydrophobicContact CD1-CG1 3.9Å |
| 172 | C | 96.1 | Very high | 95.2 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 12% | 0.115 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 119.8 | 177 | -81.6 | 0 | 0 | 0 | 0 | 107.9 | F189 C190 D220 K223 | C172-F189 WeakPolarHBondContact CA-O 3.47Å; C172-C190 VanDerWaalsContact CA-SG 3.6Å; C172-C190 HydrophobicContact CB-CB 4.17Å; C172-C190 WeakPolarHBondContact CB-SG 3.32Å; C172-C190 WeakPolarHBondContact SG-CB 3.22Å; C172-C190 CovalentContact SG-SG 2.04Å; C172-C190 PolarHBondContact SG-SG 3.09Å; C172-D220 HydrophobicContact CB-CB 3.69Å; C172-D220 PolarHBondContact O-N 2.91Å; C172-K223 HydrophobicContact CB-CB 4.16Å; C172-K223 PolarHBondContact N-O 3.05Å |
| 173 | L | 97.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 144.2 | -177.3 | -59.5 | -178.4 | 0 | 0 | 0 | 111 | V131 F163 V165 I171 G188 F189 V217 E218 K219 I226 | V131-L173 HydrophobicContact CG2-CD2 4.05Å; F163-L173 HydrophobicContact CD2-CD1 3.98Å; F163-L173 HydrophobicContact CE1-CB 4.37Å; F163-L173 HydrophobicContact CE2-CB 3.98Å; F163-L173 HydrophobicContact CE2-CD1 3.63Å; F163-L173 HydrophobicContact CE2-CG 4.41Å; F163-L173 HydrophobicContact CZ-CB 3.67Å; F163-L173 HydrophobicContact CZ-CD1 4.17Å; V165-L173 HydrophobicContact CB-CD1 3.5Å; V165-L173 HydrophobicContact CG1-CD1 3.81Å; V165-L173 HydrophobicContact CG2-CD1 3.49Å; V165-L173 VanDerWaalsContact CG2-CD1 3.49Å; I171-L173 HydrophobicContact CD1-CD1 4.03Å; I171-L173 HydrophobicContact CD1-CD2 4.38Å; I171-L173 HydrophobicContact CD1-CG 4.14Å; I171-L173 HydrophobicContact CG1-CD1 4.33Å; I171-L173 HydrophobicContact CG1-CD2 4.21Å; I171-L173 HydrophobicContact CG1-CG 3.92Å; L173-G188 CarbonylContact O-C 3.53Å; L173-G188 VanDerWaalsContact O-CA 3.28Å; L173-G188 WeakPolarHBondContact O-CA 3.24Å; L173-F189 PolarHBondContact N-O 2.91Å; L173-F189 PolarHBondContact O-N 3.38Å; L173-V217 HydrophobicContact CB-CG1 4.13Å; L173-V217 HydrophobicContact CD1-CG1 4.28Å; L173-V217 HydrophobicContact CD2-CG1 4.38Å; L173-E218 CarbonylContact C-O 3.38Å; L173-E218 WeakPolarHBondContact CA-O 3.26Å; L173-K219 HydrophobicContact CD2-CB 3.59Å; L173-I226 HydrophobicContact CD2-CD1 4.27Å |
| 174 | S | 97 | Very high | 94.8 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 17% | 0.168 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144.3 | 174.8 | -69.3 | 0 | 0 | 0 | 0 | 110.6 | G188 V217 E218 | S174-G188 VanDerWaalsContact OG-CA 3.22Å; S174-G188 WeakPolarHBondContact OG-CA 3.3Å; S174-V217 WeakPolarHBondContact O-CA 3.28Å; S174-E218 PolarHBondContact N-O 3.39Å; S174-E218 PolarHBondContact O-N 2.87Å |
| 175 | I | 98 | Very high | 94.3 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 125.2 | 165.4 | -64.4 | 170.6 | 0 | 0 | 0 | 106.9 | F161 F163 S186 M205 L207 V215 | F161-I175 HydrophobicContact CB-CD1 4.13Å; F163-I175 HydrophobicContact CD1-CD1 4.07Å; F163-I175 HydrophobicContact CD1-CG1 3.94Å; F163-I175 HydrophobicContact CE1-CD1 4.19Å; F163-I175 HydrophobicContact CE1-CG1 3.89Å; I175-S186 PolarHBondContact N-OG 2.88Å; I175-S186 WeakPolarHBondContact O-CB 3.38Å; I175-S186 PolarHBondContact O-N 3.44Å; I175-S186 PolarHBondContact O-OG 2.83Å; I175-M205 HydrophobicContact CB-CG 4.3Å; I175-M205 HydrophobicContact CB-SD 3.78Å; I175-M205 HydrophobicContact CD1-CG 3.95Å; I175-M205 HydrophobicContact CG2-CG 4.15Å; I175-M205 HydrophobicContact CG2-SD 3.75Å; I175-L207 HydrophobicContact CG2-CD1 4.23Å; I175-V215 HydrophobicContact CG2-CG1 3.61Å |
| 176 | V | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132.1 | -176.3 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | V183 R185 V215 W216 E218 | V176-V183 HydrophobicContact CG1-CG1 3.38Å; V176-R185 HydrophobicContact CG1-CG 4.06Å; V176-R185 HydrophobicContact CG2-CB 4.44Å; V176-R185 HydrophobicContact CG2-CG 3.83Å; V176-V215 CarbonylContact O-C 3.56Å; V176-V215 VanDerWaalsContact O-CA 3.28Å; V176-V215 WeakPolarHBondContact O-CA 3.43Å; V176-W216 HydrophobicContact CB-CD2 4.4Å; V176-W216 HydrophobicContact CB-CZ2 4.29Å; V176-W216 HydrophobicContact CG1-CH2 4.29Å; V176-W216 HydrophobicContact CG1-CZ2 3.65Å; V176-W216 PolarHBondContact N-O 3.03Å; V176-W216 PolarHBondContact O-N 2.83Å; V176-E218 HydrophobicContact CB-CG 4.25Å; V176-E218 HydrophobicContact CG2-CB 3.87Å; V176-E218 HydrophobicContact CG2-CG 3.62Å |
| 177 | S | 97.7 | Very high | 93.4 | Very high | 16 Ų | 16 | 61.8 Ų | 61.8 | 11% | 0.112 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 151.7 | 172.3 | 64.2 | 0 | 0 | 0 | 0 | 111.3 | V183 R184 Q214 | S177-V183 CarbonylContact O-C 3.53Å; S177-V183 WeakPolarHBondContact O-CA 3.36Å; S177-R184 PolarHBondContact N-O 3.24Å; S177-R184 PolarHBondContact O-N 2.79Å; S177-Q214 CarbonylContact C-O 3.58Å; S177-Q214 WeakPolarHBondContact CA-O 3.39Å |
| 178 | S | 97.2 | Very high | 93.2 | Very high | 18 Ų | 18 | 63.9 Ų | 63.9 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 126.7 | 172 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | Q182 D213 Q214 | S178-Q182 VanDerWaalsContact CA-O 3.31Å; S178-Q182 WeakPolarHBondContact CA-O 3.4Å; S178-D213 VanDerWaalsContact O-CA 3.3Å; S178-D213 WeakPolarHBondContact O-CA 3.37Å; S178-Q214 PolarHBondContact N-O 3.18Å; S178-Q214 PolarHBondContact O-N 2.92Å |
| 179 | S | 95.2 | Very high | 93.3 | Very high | 23 Ų | 23 | 65.2 Ų | 65.2 | 16% | 0.161 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 122.5 | 176.1 | 152.3 | 0 | 0 | 0 | 0 | 108.6 | G181 Q182 D213 | S179-G181 PolarHBondContact O-N 2.91Å; S179-G181 VanDerWaalsContact O-N 3.16Å; S179-Q182 PolarHBondContact N-O 2.95Å; S179-Q182 WeakPolarHBondContact O-CB 3.05Å; S179-Q182 PolarHBondContact O-N 2.8Å; S179-D213 VanDerWaalsContact CA-OD1 3.25Å; S179-D213 WeakPolarHBondContact CA-OD1 3.37Å; S179-D213 WeakPolarHBondContact CB-OD1 3.39Å |
| 180 | R | 91 | Very high | 93.4 | Very high | 208 Ų | 208 | 63.7 Ų | 63.7 | 79% | 0.785 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 38.7 | -179.5 | -56.3 | -179.9 | -176 | -109.2 | -3 | 113.3 | Q182 Q210 | R180-Q182 PolarHBondContact O-N 3.34Å; R180-Q210 VanDerWaalsContact NH2-OE1 3.16Å |
| 181 | G | 85.7 | Confident | 93.3 | Very high | 66 Ų | 66 | 63 Ų | 63 | 68% | 0.68 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | -10.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S179 V183 | S179-G181 PolarHBondContact O-N 2.91Å; S179-G181 VanDerWaalsContact O-N 3.16Å; G181-V183 PolarHBondContact O-N 2.93Å |
| 182 | Q | 93.7 | Very high | 93 | Very high | 130 Ų | 130 | 67.2 Ų | 67.2 | 61% | 0.607 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 120.3 | 172.2 | -65 | -172.3 | -36.7 | 0 | 0 | 109.8 | S178 S179 R180 | S178-Q182 VanDerWaalsContact CA-O 3.31Å; S178-Q182 WeakPolarHBondContact CA-O 3.4Å; S179-Q182 PolarHBondContact N-O 2.95Å; S179-Q182 WeakPolarHBondContact O-CB 3.05Å; S179-Q182 PolarHBondContact O-N 2.8Å; R180-Q182 PolarHBondContact O-N 3.34Å |
| 183 | V | 94.3 | Very high | 92.4 | Very high | 77 Ų | 77 | 69.1 Ų | 69.1 | 47% | 0.467 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 128.1 | 178 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | V176 S177 G181 | V176-V183 HydrophobicContact CG1-CG1 3.38Å; S177-V183 CarbonylContact O-C 3.53Å; S177-V183 WeakPolarHBondContact O-CA 3.36Å; G181-V183 PolarHBondContact O-N 2.93Å |
| 184 | R | 92.2 | Very high | 91.5 | Very high | 161 Ų | 161 | 74 Ų | 74 | 61% | 0.608 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 118.3 | 173.4 | -65.2 | -177.5 | 179.3 | 177.4 | 0.5 | 108.6 | S177 | S177-R184 PolarHBondContact N-O 3.24Å; S177-R184 PolarHBondContact O-N 2.79Å |
| 185 | R | 86.9 | Confident | 91 | Very high | 170 Ų | 170 | 80.9 Ų | 80.9 | 64% | 0.642 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 131.2 | 172.7 | -67 | -165.2 | 179 | 92.8 | 5.7 | 110 | V176 E218 | V176-R185 HydrophobicContact CG1-CG 4.06Å; V176-R185 HydrophobicContact CG2-CB 4.44Å; V176-R185 HydrophobicContact CG2-CG 3.83Å; R185-E218 IonicContact CZ-OE2 3.48Å; R185-E218 IonicContact NE-OE2 2.87Å; R185-E218 PolarHBondContact NE-OE2 3.48Å; R185-E218 IonicContact NH2-OE2 3.17Å; R185-E218 PolarHBondContact NH2-OE2 3.26Å; R185-E218 VanDerWaalsContact NH2-OE2 3.17Å |
| 186 | S | 85 | Confident | 90.4 | Very high | 28 Ų | 28 | 82.8 Ų | 82.8 | 20% | 0.196 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 172.8 | 169.3 | 76.9 | 0 | 0 | 0 | 0 | 111.4 | I175 G188 M205 | I175-S186 PolarHBondContact N-OG 2.88Å; I175-S186 WeakPolarHBondContact O-CB 3.38Å; I175-S186 PolarHBondContact O-N 3.44Å; I175-S186 PolarHBondContact O-OG 2.83Å; S186-G188 PolarHBondContact O-N 2.92Å; S186-M205 VanDerWaalsContact CB-SD 3.51Å |
| 187 | L | 88.6 | Confident | 89.9 | Confident | 155 Ų | 155 | 88.2 Ų | 88.2 | 81% | 0.812 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 139.4 | 161.1 | -65.5 | 172.5 | 0 | 0 | 0 | 109.7 | ||
| 188 | G | 90.3 | Very high | 89.5 | Confident | 43 Ų | 43 | 92.6 Ų | 92.6 | 44% | 0.443 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 148 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L173 S174 S186 | L173-G188 CarbonylContact O-C 3.53Å; L173-G188 VanDerWaalsContact O-CA 3.28Å; L173-G188 WeakPolarHBondContact O-CA 3.24Å; S174-G188 VanDerWaalsContact OG-CA 3.22Å; S174-G188 WeakPolarHBondContact OG-CA 3.3Å; S186-G188 PolarHBondContact O-N 2.92Å |
| 189 | F | 94.7 | Very high | 89.2 | Confident | 67 Ų | 67 | 92.7 Ų | 92.7 | 29% | 0.294 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 121.8 | 171.2 | -56.7 | -92.6 | 0 | 0 | 0 | 107.4 | F163 C172 L173 V201 | F163-F189 HydrophobicContact CE1-CD2 4.01Å; F163-F189 HydrophobicContact CE1-CE2 4.46Å; F163-F189 HydrophobicContact CZ-CB 4.08Å; F163-F189 AromaticContact CZ-CD2 3.77Å; F163-F189 HydrophobicContact CZ-CD2 3.77Å; F163-F189 HydrophobicContact CZ-CG 4.17Å; C172-F189 WeakPolarHBondContact CA-O 3.47Å; L173-F189 PolarHBondContact N-O 2.91Å; L173-F189 PolarHBondContact O-N 3.38Å; F189-V201 HydrophobicContact CB-CG1 3.75Å |
| 190 | C | 94.5 | Very high | 89.2 | Confident | 76 Ų | 76 | 95.4 Ų | 95.4 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 142.8 | -170.9 | -69.9 | 0 | 0 | 0 | 0 | 112 | I171 C172 | I171-C190 CarbonylContact O-C 3.53Å; I171-C190 VanDerWaalsContact O-CA 3.23Å; I171-C190 WeakPolarHBondContact O-CA 3.37Å; C172-C190 VanDerWaalsContact CA-SG 3.6Å; C172-C190 HydrophobicContact CB-CB 4.17Å; C172-C190 WeakPolarHBondContact CB-SG 3.32Å; C172-C190 WeakPolarHBondContact SG-CB 3.22Å; C172-C190 CovalentContact SG-SG 2.04Å; C172-C190 PolarHBondContact SG-SG 3.09Å |
| 191 | D | 92.2 | Very high | 89.4 | Confident | 43 Ų | 43 | 86 Ų | 86 | 23% | 0.23 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 121.6 | 161.4 | -171.9 | -13.4 | 0 | 0 | 0 | 108.1 | E170 I171 T193 V201 | E170-D191 WeakPolarHBondContact CA-O 3.25Å; I171-D191 HydrophobicContact CG2-CB 4.15Å; I171-D191 PolarHBondContact N-O 3.49Å; I171-D191 PolarHBondContact O-N 2.93Å; D191-T193 WeakPolarHBondContact OD1-CB 3.33Å; D191-T193 PolarHBondContact OD1-N 3.01Å; D191-T193 PolarHBondContact OD1-OG1 2.6Å; D191-V201 HydrophobicContact CB-CG2 3.52Å |
| 192 | T | 87.9 | Confident | 89.9 | Confident | 88 Ų | 88 | 86 Ų | 86 | 54% | 0.54 | 46% | 0.456 | S | S | . | . | trans | -99.7 | 14.3 | -177.5 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | N194 | T192-N194 PolarHBondContact O-N 3.27Š| ||
| 193 | T | 84.2 | Confident | 90 | Very high | 56 Ų | 56 | 80 Ų | 80 | 34% | 0.344 | 43% | 0.429 | S | S | . | . | trans | -74.3 | 124 | 177.9 | -55.5 | 0 | 0 | 0 | 0 | 110 | W169 D191 K195 Q199 | W169-T193 CarbonylContact C-O 3.53Å; D191-T193 WeakPolarHBondContact OD1-CB 3.33Å; D191-T193 PolarHBondContact OD1-N 3.01Å; D191-T193 PolarHBondContact OD1-OG1 2.6Å; T193-K195 HydrophobicContact CG2-CB 4.19Å; T193-K195 HydrophobicContact CG2-CD 4.29Å; T193-K195 HydrophobicContact CG2-CG 4.02Å; T193-Q199 VanDerWaalsContact CB-OE1 3.31Å; T193-Q199 PolarHBondContact O-NE2 2.99Å; T193-Q199 PolarHBondContact O-OE1 2.92Å | ||
| 194 | N | 78.5 | Confident | 90.1 | Very high | 104 Ų | 104 | 77.6 Ų | 77.6 | 56% | 0.556 | 42% | 0.42 | S | S | * | . | trans | -122.2 | 49.3 | -179.5 | -166.9 | 13.4 | 0 | 0 | 0 | 111.4 | E170 T192 | E170-N194 HydrophobicContact CG-CB 4.35Å; T192-N194 PolarHBondContact O-N 3.27Å | ||
| 195 | K | 86.1 | Confident | 90.4 | Very high | 168 Ų | 168 | 72.4 Ų | 72.4 | 73% | 0.73 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -96.7 | 3.8 | -179.3 | -67.5 | -175.2 | 178.7 | 178.9 | 0 | 113.5 | T193 L197 | T193-K195 HydrophobicContact CG2-CB 4.19Å; T193-K195 HydrophobicContact CG2-CD 4.29Å; T193-K195 HydrophobicContact CG2-CG 4.02Å; K195-L197 HydrophobicContact CB-CD1 4.38Å; K195-L197 HydrophobicContact CB-CG 4.3Å; K195-L197 PolarHBondContact O-N 3.43Å |
| 196 | G | 84.4 | Confident | 90.9 | Very high | 41 Ų | 41 | 68 Ų | 68 | 42% | 0.423 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 69 | 15 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q168 | Q168-G196 WeakPolarHBondContact O-CA 3.33Å; Q168-G196 PolarHBondContact O-N 2.82Å |
| 197 | L | 87.6 | Confident | 91.4 | Very high | 115 Ų | 115 | 67.8 Ų | 67.8 | 60% | 0.602 | 39% | 0.392 | S | S | * | . | trans | -95 | 147.1 | 177.5 | -63 | 176.8 | 0 | 0 | 0 | 109.8 | Q168 K195 Q199 | Q168-L197 WeakPolarHBondContact CA-O 3.3Å; K195-L197 HydrophobicContact CB-CD1 4.38Å; K195-L197 HydrophobicContact CB-CG 4.3Å; K195-L197 PolarHBondContact O-N 3.43Å; L197-Q199 PolarHBondContact O-N 2.8Å | ||
| 198 | F | 90.2 | Very high | 91.8 | Very high | 108 Ų | 108 | 66.3 Ų | 66.3 | 47% | 0.474 | 38% | 0.381 | S | S | . | . | trans | -60 | 128.4 | 171.7 | -73.7 | -74.1 | 0 | 0 | 0 | 111.1 | Q168 Y227 | Q168-F198 HydrophobicContact CG-CD1 3.89Å; Q168-F198 HydrophobicContact CG-CE1 4.07Å; Q168-F198 HydrophobicContact CG-CG 4.34Å; F198-Y227 HydrophobicContact CD1-CD2 4.45Å; F198-Y227 HydrophobicContact CD1-CG 4.45Å; F198-Y227 AromaticContact CE1-CD1 3.9Å; F198-Y227 HydrophobicContact CE1-CD1 3.9Å; F198-Y227 AromaticContact CE1-CD2 3.62Å; F198-Y227 HydrophobicContact CE1-CD2 3.62Å; F198-Y227 AromaticContact CE1-CE1 3.7Å; F198-Y227 HydrophobicContact CE1-CE1 3.7Å; F198-Y227 AromaticContact CE1-CE2 3.41Å; F198-Y227 HydrophobicContact CE1-CE2 3.41Å; F198-Y227 VanDerWaalsContact CE1-CE2 3.41Å; F198-Y227 AromaticContact CE1-CG 3.85Å; F198-Y227 HydrophobicContact CE1-CG 3.85Å; F198-Y227 AromaticContact CE1-CZ 3.43Å; F198-Y227 VanDerWaalsContact CE1-CZ 3.43Å; F198-Y227 HydrophobicContact CZ-CD2 4.37Å; F198-Y227 HydrophobicContact CZ-CE1 4.33Å; F198-Y227 AromaticContact CZ-CE2 3.74Å; F198-Y227 HydrophobicContact CZ-CE2 3.74Å; F198-Y227 AromaticContact CZ-CZ 3.71Å | ||
| 199 | Q | 91.1 | Very high | 92.1 | Very high | 20 Ų | 20 | 64.5 Ų | 64.5 | 9% | 0.093 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 157.8 | 174.3 | 69 | -147 | 4.7 | 0 | 0 | 110.5 | L166 S167 W169 T193 L197 | L166-Q199 CarbonylContact C-O 3.32Å; L166-Q199 VanDerWaalsContact CA-O 3.29Å; L166-Q199 WeakPolarHBondContact CA-O 3.11Å; S167-Q199 PolarHBondContact N-O 2.93Å; S167-Q199 WeakPolarHBondContact O-CG 3.35Å; S167-Q199 PolarHBondContact O-N 2.92Å; W169-Q199 PolarHBondContact O-NE2 2.78Å; T193-Q199 VanDerWaalsContact CB-OE1 3.31Å; T193-Q199 PolarHBondContact O-NE2 2.99Å; T193-Q199 PolarHBondContact O-OE1 2.92Å; L197-Q199 PolarHBondContact O-N 2.8Å |
| 200 | V | 94.1 | Very high | 92.2 | Very high | 80 Ų | 80 | 66 Ų | 66 | 49% | 0.485 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 113.1 | -178.3 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | Q164 V165 L166 | Q164-V200 HydrophobicContact CB-CG1 4.01Å; V165-V200 CarbonylContact O-C 3.5Å; V165-V200 WeakPolarHBondContact O-CA 3.19Å; L166-V200 HydrophobicContact CD2-CG2 3.87Å; L166-V200 HydrophobicContact CG-CG2 4.08Å |
| 201 | V | 95.7 | Very high | 92.3 | Very high | 9 Ų | 9 | 69.2 Ų | 69.2 | 6% | 0.055 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 121.3 | 167.9 | 177.7 | 0 | 0 | 0 | 0 | 108.2 | F163 V165 I171 F189 D191 | F163-V201 HydrophobicContact CE2-CG1 4Å; F163-V201 WeakPolarHBondContact CE2-O 3.28Å; V165-V201 PolarHBondContact N-O 2.92Å; V165-V201 PolarHBondContact O-N 3.16Å; I171-V201 HydrophobicContact CG2-CB 4.42Å; I171-V201 HydrophobicContact CG2-CG2 3.41Å; I171-V201 VanDerWaalsContact CG2-CG2 3.41Å; F189-V201 HydrophobicContact CB-CG1 3.75Å; D191-V201 HydrophobicContact CB-CG2 3.52Å |
| 202 | S | 96.4 | Very high | 92.5 | Very high | 66 Ų | 66 | 69.4 Ų | 69.4 | 46% | 0.462 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 140.5 | 175.2 | -57.3 | 0 | 0 | 0 | 0 | 109.9 | F163 | F163-S202 VanDerWaalsContact O-CA 3.28Å; F163-S202 WeakPolarHBondContact O-CA 3.01Å |
| 203 | G | 95.9 | Very high | 93 | Very high | 5 Ų | 5 | 65.8 Ų | 65.8 | 5% | 0.052 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 158.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | T162 F163 | T162-G203 CarbonylContact C-O 3.53Å; T162-G203 WeakPolarHBondContact CA-O 3.17Å; T162-G203 PolarHBondContact OG1-O 2.89Å; F163-G203 PolarHBondContact N-O 3.34Å; F163-G203 PolarHBondContact O-N 2.83Å; F163-G203 VanDerWaalsContact O-N 3.09Å |
| 204 | G | 96.6 | Very high | 93.7 | Very high | 26 Ų | 26 | 65.5 Ų | 65.5 | 27% | 0.268 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | 154.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F161 | F161-G204 CarbonylContact O-C 3.59Å; F161-G204 WeakPolarHBondContact O-CA 3.41Å |
| 205 | M | 96.7 | Very high | 94.6 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 26% | 0.261 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 159.4 | 177.9 | 70.2 | -179.1 | -51.2 | 0 | 0 | 111.6 | F161 I175 S186 L207 | F161-M205 PolarHBondContact N-O 3.02Å; F161-M205 PolarHBondContact O-N 2.89Å; I175-M205 HydrophobicContact CB-CG 4.3Å; I175-M205 HydrophobicContact CB-SD 3.78Å; I175-M205 HydrophobicContact CD1-CG 3.95Å; I175-M205 HydrophobicContact CG2-CG 4.15Å; I175-M205 HydrophobicContact CG2-SD 3.75Å; S186-M205 VanDerWaalsContact CB-SD 3.51Å; M205-L207 HydrophobicContact CE-CD2 3.41Å; M205-L207 VanDerWaalsContact CE-CD2 3.41Å; M205-L207 HydrophobicContact CE-CG 4.04Å; M205-L207 HydrophobicContact CG-CD1 4.4Å; M205-L207 HydrophobicContact CG-CD2 4.49Å; M205-L207 HydrophobicContact CG-CG 4.06Å; M205-L207 HydrophobicContact SD-CD1 4.16Å; M205-L207 HydrophobicContact SD-CD2 3.9Å; M205-L207 HydrophobicContact SD-CG 4.01Å |
| 206 | V | 97.4 | Very high | 95.2 | Very high | 78 Ų | 78 | 53 Ų | 53 | 47% | 0.473 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 134.9 | 168.3 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | Y158 Y159 Y160 I241 | Y158-V206 HydrophobicContact CD1-CG1 4.41Å; Y159-V206 CarbonylContact O-C 3.59Å; Y159-V206 VanDerWaalsContact O-CA 3.24Å; Y159-V206 WeakPolarHBondContact O-CA 3.2Å; Y160-V206 HydrophobicContact CD2-CG2 3.9Å; V206-I241 HydrophobicContact CG1-CD1 3.96Å; V206-I241 HydrophobicContact CG2-CD1 4.02Å |
| 207 | L | 96.7 | Very high | 95.9 | Very high | 22 Ų | 22 | 51 Ų | 51 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.3 | 176.1 | -70.4 | 172.3 | 0 | 0 | 0 | 109.9 | Y158 Y159 F161 I175 M205 L209 V215 | Y158-L207 WeakPolarHBondContact CA-O 3.37Å; Y159-L207 PolarHBondContact N-O 2.92Å; Y159-L207 PolarHBondContact O-N 2.91Å; F161-L207 HydrophobicContact CD2-CB 4.44Å; F161-L207 HydrophobicContact CD2-CD1 3.93Å; F161-L207 HydrophobicContact CD2-CG 4.42Å; F161-L207 HydrophobicContact CE2-CB 4.23Å; F161-L207 HydrophobicContact CE2-CD1 4.01Å; I175-L207 HydrophobicContact CG2-CD1 4.23Å; M205-L207 HydrophobicContact CE-CD2 3.41Å; M205-L207 VanDerWaalsContact CE-CD2 3.41Å; M205-L207 HydrophobicContact CE-CG 4.04Å; M205-L207 HydrophobicContact CG-CD1 4.4Å; M205-L207 HydrophobicContact CG-CD2 4.49Å; M205-L207 HydrophobicContact CG-CG 4.06Å; M205-L207 HydrophobicContact SD-CD1 4.16Å; M205-L207 HydrophobicContact SD-CD2 3.9Å; M205-L207 HydrophobicContact SD-CG 4.01Å; L207-L209 HydrophobicContact CB-CD2 3.96Å; L207-L209 HydrophobicContact CB-CG 4.18Å; L207-L209 HydrophobicContact CD1-CD2 4.49Å; L207-V215 HydrophobicContact CD1-CG1 3.92Å; L207-V215 HydrophobicContact CD1-CG2 3.82Å |
| 208 | Q | 96.7 | Very high | 96.3 | Very high | 125 Ų | 125 | 46.8 Ų | 46.8 | 58% | 0.584 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 123.7 | 164.2 | -172.5 | -179.3 | 11.9 | 0 | 0 | 108.3 | G157 Y158 | G157-Q208 WeakPolarHBondContact O-CA 3.37Å; Y158-Q208 HydrophobicContact CD1-CB 3.98Å; Y158-Q208 HydrophobicContact CD1-CG 4.31Å; Y158-Q208 HydrophobicContact CD2-CG 4.48Å; Y158-Q208 HydrophobicContact CE1-CB 3.76Å; Y158-Q208 HydrophobicContact CE1-CG 3.92Å; Y158-Q208 HydrophobicContact CE2-CG 4.12Å; Y158-Q208 PolarHBondContact OH-NE2 3.23Å; Y158-Q208 PolarHBondContact OH-OE1 2.8Å |
| 209 | L | 97.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 143.3 | -174.2 | -59.3 | -179.2 | 0 | 0 | 0 | 111.3 | F151 C153 P156 G157 Y159 F161 L207 D213 V215 | F151-L209 HydrophobicContact CD1-CD1 4.22Å; F151-L209 HydrophobicContact CE1-CD1 3.67Å; C153-L209 HydrophobicContact CB-CB 4.05Å; C153-L209 HydrophobicContact CB-CD1 4.18Å; P156-L209 WeakPolarHBondContact CA-O 3.31Å; G157-L209 PolarHBondContact N-O 3.14Å; G157-L209 PolarHBondContact O-N 3.39Å; Y159-L209 HydrophobicContact CD2-CB 4.2Å; Y159-L209 HydrophobicContact CD2-CD1 3.81Å; Y159-L209 HydrophobicContact CD2-CG 4.17Å; Y159-L209 HydrophobicContact CE2-CB 4.46Å; Y159-L209 HydrophobicContact CE2-CD1 4.39Å; Y159-L209 HydrophobicContact CG-CD1 4.12Å; F161-L209 HydrophobicContact CE2-CD1 3.91Å; F161-L209 HydrophobicContact CZ-CD1 3.87Å; L207-L209 HydrophobicContact CB-CD2 3.96Å; L207-L209 HydrophobicContact CB-CG 4.18Å; L207-L209 HydrophobicContact CD1-CD2 4.49Å; L209-D213 HydrophobicContact CB-CB 4.26Å; L209-D213 HydrophobicContact CD2-CB 4.11Å; L209-V215 HydrophobicContact CD1-CG2 3.75Å; L209-V215 HydrophobicContact CD2-CG2 3.89Å; L209-V215 HydrophobicContact CG-CG2 4.49Å |
| 210 | Q | 96.8 | Very high | 96.8 | Very high | 98 Ų | 98 | 46.9 Ų | 46.9 | 46% | 0.458 | 26% | 0.261 | S | S | . | . | trans | -95 | 166.5 | 166.3 | -65.9 | 179.7 | 40.1 | 0 | 0 | 110.4 | C153 R180 G212 D213 | C153-Q210 WeakPolarHBondContact CB-O 3.5Å; C153-Q210 PolarHBondContact SG-O 2.93Å; R180-Q210 VanDerWaalsContact NH2-OE1 3.16Å; Q210-G212 PolarHBondContact O-N 2.87Å; Q210-D213 PolarHBondContact N-OD2 2.78Å; Q210-D213 VanDerWaalsContact O-CB 3.3Å; Q210-D213 WeakPolarHBondContact O-CB 3.46Å; Q210-D213 PolarHBondContact O-N 2.91Å; Q210-D213 VanDerWaalsContact O-N 3.14Å | ||
| 211 | Q | 96.1 | Very high | 96.8 | Very high | 144 Ų | 144 | 47.8 Ų | 47.8 | 67% | 0.673 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 131.9 | 177.2 | -170.9 | 175.4 | 33.3 | 0 | 0 | 110.7 | P156 D213 | P156-Q211 HydrophobicContact CG-CB 4.05Å; Q211-D213 VanDerWaalsContact C-N 3.29Å |
| 212 | G | 96.7 | Very high | 96.6 | Very high | 46 Ų | 46 | 56 Ų | 56 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -8.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | C153 Q210 | C153-G212 PolarHBondContact O-N 2.89Å; Q210-G212 PolarHBondContact O-N 2.87Å |
| 213 | D | 98.1 | Very high | 96.4 | Very high | 12 Ų | 12 | 56.3 Ų | 56.3 | 6% | 0.064 | 30% | 0.296 | C | S | . | . | trans | -62 | 144.5 | 173 | -70.9 | -6.4 | 0 | 0 | 0 | 110.3 | C153 S178 S179 L209 Q210 Q211 | C153-D213 HydrophobicContact CB-CB 4.28Å; C153-D213 WeakPolarHBondContact CB-O 3.3Å; C153-D213 PolarHBondContact N-O 2.8Å; S178-D213 VanDerWaalsContact O-CA 3.3Å; S178-D213 WeakPolarHBondContact O-CA 3.37Å; S179-D213 VanDerWaalsContact CA-OD1 3.25Å; S179-D213 WeakPolarHBondContact CA-OD1 3.37Å; S179-D213 WeakPolarHBondContact CB-OD1 3.39Å; L209-D213 HydrophobicContact CB-CB 4.26Å; L209-D213 HydrophobicContact CD2-CB 4.11Å; Q210-D213 PolarHBondContact N-OD2 2.78Å; Q210-D213 VanDerWaalsContact O-CB 3.3Å; Q210-D213 WeakPolarHBondContact O-CB 3.46Å; Q210-D213 PolarHBondContact O-N 2.91Å; Q210-D213 VanDerWaalsContact O-N 3.14Å; Q211-D213 VanDerWaalsContact C-N 3.29Å | ||
| 214 | Q | 98.2 | Very high | 96.2 | Very high | 51 Ų | 51 | 56.4 Ų | 56.4 | 24% | 0.238 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 146.4 | -177 | -64.7 | -169.3 | -22.4 | 0 | 0 | 111.2 | F151 V152 S177 S178 W216 | F151-Q214 CarbonylContact O-C 3.59Å; F151-Q214 VanDerWaalsContact O-CA 3.22Å; F151-Q214 WeakPolarHBondContact O-CA 3.33Å; V152-Q214 HydrophobicContact CG2-CG 4.17Å; S177-Q214 CarbonylContact C-O 3.58Å; S177-Q214 WeakPolarHBondContact CA-O 3.39Å; S178-Q214 PolarHBondContact N-O 3.18Å; S178-Q214 PolarHBondContact O-N 2.92Å; Q214-W216 HydrophobicContact CB-CE3 4.06Å; Q214-W216 HydrophobicContact CB-CZ3 3.69Å |
| 215 | V | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 137.2 | 176.1 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | F151 F161 I175 V176 L207 L209 | F151-V215 HydrophobicContact CB-CB 4.28Å; F151-V215 HydrophobicContact CD1-CB 4.25Å; F151-V215 HydrophobicContact CD1-CG2 4.29Å; F151-V215 PolarHBondContact N-O 2.88Å; F151-V215 PolarHBondContact O-N 2.87Å; F161-V215 HydrophobicContact CD1-CG1 4.17Å; F161-V215 HydrophobicContact CD2-CG1 4.16Å; F161-V215 HydrophobicContact CE1-CB 4.14Å; F161-V215 HydrophobicContact CE1-CG1 4.14Å; F161-V215 HydrophobicContact CE2-CB 4.31Å; F161-V215 HydrophobicContact CE2-CG1 4.13Å; F161-V215 HydrophobicContact CE2-CG2 3.93Å; F161-V215 HydrophobicContact CG-CG1 4.17Å; F161-V215 HydrophobicContact CZ-CB 3.96Å; F161-V215 HydrophobicContact CZ-CG1 4.13Å; F161-V215 HydrophobicContact CZ-CG2 3.84Å; I175-V215 HydrophobicContact CG2-CG1 3.61Å; V176-V215 CarbonylContact O-C 3.56Å; V176-V215 VanDerWaalsContact O-CA 3.28Å; V176-V215 WeakPolarHBondContact O-CA 3.43Å; L207-V215 HydrophobicContact CD1-CG1 3.92Å; L207-V215 HydrophobicContact CD1-CG2 3.82Å; L209-V215 HydrophobicContact CD1-CG2 3.75Å; L209-V215 HydrophobicContact CD2-CG2 3.89Å; L209-V215 HydrophobicContact CG-CG2 4.49Å |
| 216 | W | 98.2 | Very high | 95.9 | Very high | 8 Ų | 8 | 59 Ų | 59 | 3% | 0.03 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 172.8 | 176.4 | 60.7 | 95.1 | 0 | 0 | 0 | 111.6 | V130 G149 R150 V176 Q214 E218 | V130-W216 HydrophobicContact CG1-CB 4.33Å; V130-W216 HydrophobicContact CG1-CG 4.33Å; G149-W216 WeakPolarHBondContact O-CB 3.47Å; R150-W216 HydrophobicContact CG-CB 4.09Å; R150-W216 HydrophobicContact CG-CD2 4.47Å; R150-W216 HydrophobicContact CG-CE3 4.28Å; R150-W216 HydrophobicContact CG-CG 4.43Å; V176-W216 HydrophobicContact CB-CD2 4.4Å; V176-W216 HydrophobicContact CB-CZ2 4.29Å; V176-W216 HydrophobicContact CG1-CH2 4.29Å; V176-W216 HydrophobicContact CG1-CZ2 3.65Å; V176-W216 PolarHBondContact N-O 3.03Å; V176-W216 PolarHBondContact O-N 2.83Å; Q214-W216 HydrophobicContact CB-CE3 4.06Å; Q214-W216 HydrophobicContact CB-CZ3 3.69Å; W216-E218 VanDerWaalsContact CD1-CG 3.44Å; W216-E218 PolarHBondContact NE1-OE1 2.89Å |
| 217 | V | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 129.3 | 172.4 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | V131 F133 F163 L173 S174 F236 | V131-V217 HydrophobicContact CB-CB 4.11Å; V131-V217 HydrophobicContact CB-CG1 4.05Å; V131-V217 HydrophobicContact CG2-CB 4.49Å; V131-V217 HydrophobicContact CG2-CG1 3.96Å; V131-V217 PolarHBondContact N-O 3.17Å; F133-V217 HydrophobicContact CE2-CB 4.23Å; F133-V217 HydrophobicContact CE2-CG2 4.2Å; F163-V217 HydrophobicContact CB-CG2 4.45Å; F163-V217 HydrophobicContact CD1-CG2 4.04Å; F163-V217 HydrophobicContact CG-CG2 4.48Å; L173-V217 HydrophobicContact CB-CG1 4.13Å; L173-V217 HydrophobicContact CD1-CG1 4.28Å; L173-V217 HydrophobicContact CD2-CG1 4.38Å; S174-V217 WeakPolarHBondContact O-CA 3.28Å; V217-F236 HydrophobicContact CG2-CD1 4.34Å; V217-F236 HydrophobicContact CG2-CD2 3.74Å; V217-F236 HydrophobicContact CG2-CE1 4.36Å; V217-F236 HydrophobicContact CG2-CE2 3.77Å; V217-F236 HydrophobicContact CG2-CG 4.05Å; V217-F236 HydrophobicContact CG2-CZ 4.1Å |
| 218 | E | 96.9 | Very high | 95.3 | Very high | 27 Ų | 27 | 59.9 Ų | 59.9 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 140.4 | 169.3 | -68 | -168.9 | 161.1 | 0 | 0 | 110.4 | N129 L173 S174 V176 R185 W216 | N129-E218 CarbonylContact O-C 3.54Å; N129-E218 VanDerWaalsContact O-CA 3.28Å; N129-E218 WeakPolarHBondContact O-CA 3.21Å; L173-E218 CarbonylContact C-O 3.38Å; L173-E218 WeakPolarHBondContact CA-O 3.26Å; S174-E218 PolarHBondContact N-O 3.39Å; S174-E218 PolarHBondContact O-N 2.87Å; V176-E218 HydrophobicContact CB-CG 4.25Å; V176-E218 HydrophobicContact CG2-CB 3.87Å; V176-E218 HydrophobicContact CG2-CG 3.62Å; R185-E218 IonicContact CZ-OE2 3.48Å; R185-E218 IonicContact NE-OE2 2.87Å; R185-E218 PolarHBondContact NE-OE2 3.48Å; R185-E218 IonicContact NH2-OE2 3.17Å; R185-E218 PolarHBondContact NH2-OE2 3.26Å; R185-E218 VanDerWaalsContact NH2-OE2 3.17Å; W216-E218 VanDerWaalsContact CD1-CG 3.44Å; W216-E218 PolarHBondContact NE1-OE1 2.89Å |
| 219 | K | 96 | Very high | 94.9 | Very high | 67 Ų | 67 | 55.4 Ų | 55.4 | 29% | 0.291 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 146.6 | 168.2 | 55.7 | 167.1 | 178.1 | 173.4 | 0 | 111.1 | G128 N129 V131 L173 G224 | G128-K219 WeakPolarHBondContact O-CE 3.31Å; N129-K219 VanDerWaalsContact O-CG 3.3Å; N129-K219 WeakPolarHBondContact O-CG 3.46Å; N129-K219 PolarHBondContact O-N 3.32Å; V131-K219 HydrophobicContact CG2-CB 3.88Å; V131-K219 HydrophobicContact CG2-CG 4.05Å; L173-K219 HydrophobicContact CD2-CB 3.59Å; K219-G224 WeakPolarHBondContact CD-O 3.28Å |
| 220 | D | 95.2 | Very high | 94.3 | Very high | 63 Ų | 63 | 60.6 Ų | 60.6 | 34% | 0.337 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 133.6 | 168.4 | -176.4 | -85.3 | 0 | 0 | 0 | 109.8 | C172 K222 K223 G224 | C172-D220 HydrophobicContact CB-CB 3.69Å; C172-D220 PolarHBondContact O-N 2.91Å; D220-K222 PolarHBondContact O-N 3.47Å; D220-K222 WeakPolarHBondContact OD1-CA 3.45Å; D220-K222 WeakPolarHBondContact OD1-CB 3.29Å; D220-K222 PolarHBondContact OD1-N 2.9Å; D220-K223 HydrophobicContact CB-CB 4.2Å; D220-K223 CarbonylContact O-C 3.48Å; D220-K223 PolarHBondContact O-N 2.78Å; D220-K223 PolarHBondContact OD1-N 2.75Å; D220-G224 VanDerWaalsContact O-CA 3.22Å; D220-G224 WeakPolarHBondContact O-CA 3.41Å; D220-G224 PolarHBondContact O-N 2.7Å; D220-G224 VanDerWaalsContact O-N 3.16Å |
| 221 | P | 93.6 | Very high | 93.8 | Very high | 98 Ų | 98 | 62.2 Ų | 62.2 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | -27.7 | -177.7 | -24.9 | 34.2 | 0 | 0 | 0 | 114.4 | ||
| 222 | K | 92.7 | Very high | 93.4 | Very high | 182 Ų | 182 | 57.1 Ų | 57.1 | 79% | 0.791 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -34.1 | -179.5 | -61.9 | -178.2 | 179.4 | -179.5 | 0 | 112 | D220 | D220-K222 PolarHBondContact O-N 3.47Å; D220-K222 WeakPolarHBondContact OD1-CA 3.45Å; D220-K222 WeakPolarHBondContact OD1-CB 3.29Å; D220-K222 PolarHBondContact OD1-N 2.9Å |
| 223 | K | 91.7 | Very high | 93.3 | Very high | 72 Ų | 72 | 58.3 Ų | 58.3 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 58.6 | -176.5 | -57.3 | -171.9 | -178.8 | -147.8 | 0 | 110.4 | E170 I171 C172 D220 | E170-K223 HydrophobicContact CB-CB 4.26Å; E170-K223 HydrophobicContact CB-CD 4.47Å; E170-K223 HydrophobicContact CB-CG 4.3Å; E170-K223 CarbonylContact O-C 3.45Å; E170-K223 WeakPolarHBondContact OE1-CE 3.42Å; E170-K223 IonicContact OE1-NZ 2.75Å; E170-K223 PolarHBondContact OE1-NZ 3.43Å; I171-K223 CarbonylContact C-O 3.56Å; I171-K223 VanDerWaalsContact CA-O 3.3Å; I171-K223 WeakPolarHBondContact CA-O 3.49Å; C172-K223 HydrophobicContact CB-CB 4.16Å; C172-K223 PolarHBondContact N-O 3.05Å; D220-K223 HydrophobicContact CB-CB 4.2Å; D220-K223 CarbonylContact O-C 3.48Å; D220-K223 PolarHBondContact O-N 2.78Å; D220-K223 PolarHBondContact OD1-N 2.75Å |
| 224 | G | 92.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 57.9 Ų | 57.9 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 27.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K219 D220 I226 | K219-G224 WeakPolarHBondContact CD-O 3.28Å; D220-G224 VanDerWaalsContact O-CA 3.22Å; D220-G224 WeakPolarHBondContact O-CA 3.41Å; D220-G224 PolarHBondContact O-N 2.7Å; D220-G224 VanDerWaalsContact O-N 3.16Å; G224-I226 PolarHBondContact O-N 3.22Å |
| 225 | H | 92.2 | Very high | 93.2 | Very high | 107 Ų | 107 | 56.8 Ų | 56.8 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | trans | -77.6 | 110 | -178.5 | -62.9 | -71.8 | 0 | 0 | 0 | 108.9 | S167 W169 | S167-H225 WeakPolarHBondContact CB-O 3.44Å; S167-H225 PolarHBondContact OG-O 2.99Å; W169-H225 HydrophobicContact CB-CB 3.78Å; W169-H225 HydrophobicContact CD2-CB 4.42Å; W169-H225 HydrophobicContact CE3-CB 4.18Å; W169-H225 HydrophobicContact CG-CB 4.3Å | ||
| 226 | I | 94.4 | Very high | 93.2 | Very high | 26 Ų | 26 | 56.8 Ų | 56.8 | 13% | 0.133 | 30% | 0.304 | C | S | . | . | trans | -104.4 | 134 | 178.5 | -62.9 | 173.7 | 0 | 0 | 0 | 107.3 | V131 V165 I171 L173 G224 | V131-I226 HydrophobicContact CB-CD1 4.23Å; V131-I226 HydrophobicContact CG1-CD1 3.52Å; V131-I226 HydrophobicContact CG2-CD1 3.63Å; V165-I226 HydrophobicContact CG1-CB 4.32Å; V165-I226 HydrophobicContact CG1-CD1 4.07Å; V165-I226 HydrophobicContact CG1-CG1 3.89Å; V165-I226 HydrophobicContact CG1-CG2 3.62Å; I171-I226 HydrophobicContact CD1-CG1 3.9Å; L173-I226 HydrophobicContact CD2-CD1 4.27Å; G224-I226 PolarHBondContact O-N 3.22Å | ||
| 227 | Y | 92.7 | Very high | 93.3 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 9% | 0.086 | 31% | 0.309 | C | S | . | . | trans | -63.5 | 136 | 175.7 | 175 | -100.3 | 0 | 0 | 0 | 110.5 | L166 Q168 F198 E231 | L166-Y227 HydrophobicContact CB-CD1 4.48Å; L166-Y227 PolarHBondContact O-N 2.93Å; Q168-Y227 HydrophobicContact CG-CD2 4.15Å; F198-Y227 HydrophobicContact CD1-CD2 4.45Å; F198-Y227 HydrophobicContact CD1-CG 4.45Å; F198-Y227 AromaticContact CE1-CD1 3.9Å; F198-Y227 HydrophobicContact CE1-CD1 3.9Å; F198-Y227 AromaticContact CE1-CD2 3.62Å; F198-Y227 HydrophobicContact CE1-CD2 3.62Å; F198-Y227 AromaticContact CE1-CE1 3.7Å; F198-Y227 HydrophobicContact CE1-CE1 3.7Å; F198-Y227 AromaticContact CE1-CE2 3.41Å; F198-Y227 HydrophobicContact CE1-CE2 3.41Å; F198-Y227 VanDerWaalsContact CE1-CE2 3.41Å; F198-Y227 AromaticContact CE1-CG 3.85Å; F198-Y227 HydrophobicContact CE1-CG 3.85Å; F198-Y227 AromaticContact CE1-CZ 3.43Å; F198-Y227 VanDerWaalsContact CE1-CZ 3.43Å; F198-Y227 HydrophobicContact CZ-CD2 4.37Å; F198-Y227 HydrophobicContact CZ-CE1 4.33Å; F198-Y227 AromaticContact CZ-CE2 3.74Å; F198-Y227 HydrophobicContact CZ-CE2 3.74Å; F198-Y227 AromaticContact CZ-CZ 3.71Å; Y227-E231 PolarHBondContact OH-OE1 2.78Å; Y227-E231 PolarHBondContact OH-OE2 2.93Å | ||
| 228 | Q | 88.8 | Confident | 93.3 | Very high | 98 Ų | 98 | 57.4 Ų | 57.4 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | trans | -131.3 | 104.9 | 176.8 | -173.1 | 169.3 | 12.3 | 0 | 0 | 108.2 | ||||
| 229 | G | 87.4 | Confident | 93.4 | Very high | 31 Ų | 31 | 60.7 Ų | 60.7 | 32% | 0.32 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -164.8 | -177.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 230 | S | 86.4 | Confident | 93.5 | Very high | 114 Ų | 114 | 58.5 Ų | 58.5 | 80% | 0.797 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -92.1 | -11.7 | -178.3 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 231 | E | 86.2 | Confident | 93.6 | Very high | 131 Ų | 131 | 59.3 Ų | 59.3 | 61% | 0.612 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -78.4 | -29.5 | -167.3 | -66.7 | 87.8 | 125.9 | 0 | 0 | 112.4 | Y227 | Y227-E231 PolarHBondContact OH-OE1 2.78Å; Y227-E231 PolarHBondContact OH-OE2 2.93Å |
| 232 | A | 87.5 | Confident | 93.6 | Very high | 37 Ų | 37 | 59.5 Ų | 59.5 | 31% | 0.306 | 31% | 0.309 | S | S | . | . | trans | -160.1 | 142.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L166 | L166-A232 HydrophobicContact CD1-CB 3.74Å; L166-A232 HydrophobicContact CD2-CB 3.62Å; L166-A232 HydrophobicContact CG-CB 4.32Å | ||
| 233 | D | 93.6 | Very high | 93.8 | Very high | 72 Ų | 72 | 53.9 Ų | 53.9 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | trans | -98.1 | 135 | -179 | -73.7 | -45.8 | 0 | 0 | 0 | 112 | I120 L166 | I120-D233 HydrophobicContact CB-CB 4.06Å; I120-D233 HydrophobicContact CD1-CB 4.32Å; I120-D233 WeakPolarHBondContact CD1-OD2 3.19Å; I120-D233 HydrophobicContact CG2-CB 4.02Å; L166-D233 WeakPolarHBondContact CD1-O 3.34Å | ||
| 234 | S | 97.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | trans | -82.6 | 138.5 | 165.8 | -62.8 | 0 | 0 | 0 | 0 | 109.9 | I120 R121 Q164 L166 | I120-S234 CarbonylContact C-O 3.56Å; I120-S234 WeakPolarHBondContact CA-O 3.28Å; R121-S234 PolarHBondContact N-O 2.82Å; Q164-S234 CarbonylContact O-C 3.51Å; Q164-S234 WeakPolarHBondContact O-CA 3.42Å; L166-S234 PolarHBondContact N-OG 2.86Å | ||
| 235 | V | 98.2 | Very high | 93.5 | Very high | 28 Ų | 28 | 60.6 Ų | 60.6 | 17% | 0.17 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 147.4 | -173.5 | 62.2 | 0 | 0 | 0 | 0 | 112.5 | A119 I120 F163 Q164 | A119-V235 CarbonylContact O-C 3.46Å; A119-V235 WeakPolarHBondContact O-CA 3.36Å; A119-V235 WeakPolarHBondContact O-CG2 3.46Å; I120-V235 HydrophobicContact CG2-CB 3.79Å; I120-V235 HydrophobicContact CG2-CG2 3.92Å; F163-V235 CarbonylContact C-O 3.51Å; F163-V235 WeakPolarHBondContact CA-O 3.2Å; F163-V235 WeakPolarHBondContact CB-O 3.37Å; Q164-V235 HydrophobicContact CB-CG1 3.9Å; Q164-V235 PolarHBondContact N-O 2.81Å; Q164-V235 PolarHBondContact O-N 2.94Å |
| 236 | F | 98.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 133.9 | 168.9 | 177.4 | -133.1 | 0 | 0 | 0 | 109.4 | F117 S118 A119 F133 Y144 F161 T162 F163 V217 | F117-F236 AromaticContact CE2-CD1 3.55Å; F117-F236 HydrophobicContact CE2-CD1 3.55Å; F117-F236 AromaticContact CE2-CE1 3.83Å; F117-F236 HydrophobicContact CE2-CE1 3.83Å; F117-F236 HydrophobicContact CE2-CG 4.13Å; F117-F236 AromaticContact CZ-CD1 3.68Å; F117-F236 HydrophobicContact CZ-CD1 3.68Å; F117-F236 AromaticContact CZ-CE1 3.46Å; F117-F236 HydrophobicContact CZ-CE1 3.46Å; F117-F236 VanDerWaalsContact CZ-CE1 3.46Å; F117-F236 HydrophobicContact CZ-CE2 4.5Å; F117-F236 HydrophobicContact CZ-CG 4.3Å; F117-F236 AromaticContact CZ-CZ 3.9Å; F117-F236 HydrophobicContact CZ-CZ 3.9Å; S118-F236 WeakPolarHBondContact CA-O 3.3Å; A119-F236 PolarHBondContact N-O 2.71Å; A119-F236 PolarHBondContact O-N 3.29Å; F133-F236 HydrophobicContact CD1-CB 3.76Å; F133-F236 HydrophobicContact CD2-CB 3.49Å; F133-F236 VanDerWaalsContact CD2-CB 3.49Å; F133-F236 HydrophobicContact CD2-CD1 4.15Å; F133-F236 HydrophobicContact CD2-CG 4.2Å; F133-F236 HydrophobicContact CE1-CB 3.7Å; F133-F236 HydrophobicContact CE2-CB 3.42Å; F133-F236 VanDerWaalsContact CE2-CB 3.42Å; F133-F236 HydrophobicContact CE2-CD1 4.31Å; F133-F236 HydrophobicContact CE2-CG 4.05Å; F133-F236 HydrophobicContact CG-CB 3.69Å; F133-F236 HydrophobicContact CZ-CB 3.54Å; F133-F236 HydrophobicContact CZ-CG 4.49Å; Y144-F236 AromaticContact CE2-CD1 3.89Å; Y144-F236 HydrophobicContact CE2-CD1 3.89Å; Y144-F236 HydrophobicContact CE2-CE1 4.08Å; F161-F236 HydrophobicContact CB-CE2 4.06Å; F161-F236 HydrophobicContact CB-CZ 4.42Å; F161-F236 HydrophobicContact CD1-CE2 4.21Å; F161-F236 AromaticContact CD1-CZ 3.83Å; F161-F236 HydrophobicContact CD1-CZ 3.83Å; F161-F236 HydrophobicContact CG-CZ 4.48Å; T162-F236 VanDerWaalsContact O-CD2 3.26Å; T162-F236 WeakPolarHBondContact O-CD2 3.42Å; F163-F236 HydrophobicContact CB-CB 4.43Å; F163-F236 HydrophobicContact CB-CD2 4.01Å; V217-F236 HydrophobicContact CG2-CD1 4.34Å; V217-F236 HydrophobicContact CG2-CD2 3.74Å; V217-F236 HydrophobicContact CG2-CE1 4.36Å; V217-F236 HydrophobicContact CG2-CE2 3.77Å; V217-F236 HydrophobicContact CG2-CG 4.05Å; V217-F236 HydrophobicContact CG2-CZ 4.1Å |
| 237 | S | 98.8 | Very high | 93.5 | Very high | 20 Ų | 20 | 60 Ų | 60 | 14% | 0.14 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 155.3 | -177.6 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | F117 S118 F161 T162 | F117-S237 CarbonylContact O-C 3.48Å; F117-S237 WeakPolarHBondContact O-CA 3.41Å; F117-S237 WeakPolarHBondContact O-CB 3.43Å; S118-S237 VanDerWaalsContact CB-OG 3.31Å; S118-S237 WeakPolarHBondContact CB-OG 3Å; S118-S237 WeakPolarHBondContact OG-CB 3.3Å; S118-S237 PolarHBondContact OG-OG 2.9Å; F161-S237 WeakPolarHBondContact CA-O 3.23Å; T162-S237 PolarHBondContact N-O 2.9Å; T162-S237 PolarHBondContact O-N 2.04Å |
| 238 | G | 98.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 154.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A116 F117 Y160 | A116-G238 CarbonylContact C-O 3.5Å; A116-G238 VanDerWaalsContact CA-O 3.3Å; A116-G238 WeakPolarHBondContact CA-O 3.03Å; F117-G238 WeakPolarHBondContact CD1-O 3.02Å; F117-G238 VanDerWaalsContact CE1-N 3.3Å; F117-G238 PolarHBondContact N-O 3.16Å; F117-G238 PolarHBondContact O-N 3.48Å; Y160-G238 CarbonylContact O-C 3.56Å; Y160-G238 WeakPolarHBondContact O-CA 3.3Å |
| 239 | F | 98.5 | Very high | 93.8 | Very high | 96 Ų | 96 | 60 Ų | 60 | 42% | 0.421 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 153.9 | -178.6 | 62.5 | -92.6 | 0 | 0 | 0 | 112.2 | P115 A116 Y159 Y160 I241 | P115-F239 WeakPolarHBondContact O-CA 3.37Å; A116-F239 HydrophobicContact CB-CB 3.73Å; Y159-F239 WeakPolarHBondContact CA-O 3.22Å; Y159-F239 VanDerWaalsContact CD1-C 3.5Å; Y159-F239 WeakPolarHBondContact CD1-O 3.16Å; Y160-F239 HydrophobicContact CD1-CD1 4.42Å; Y160-F239 AromaticContact CD1-CE1 3.55Å; Y160-F239 HydrophobicContact CD1-CE1 3.55Å; Y160-F239 AromaticContact CD1-CZ 3.86Å; Y160-F239 HydrophobicContact CD1-CZ 3.86Å; Y160-F239 HydrophobicContact CE1-CE1 4.48Å; Y160-F239 HydrophobicContact CG-CE1 4.29Å; Y160-F239 HydrophobicContact CG-CZ 4.27Å; Y160-F239 PolarHBondContact N-O 3.22Å; Y160-F239 PolarHBondContact O-N 3.46Å; F239-I241 HydrophobicContact CE2-CG1 4.17Å |
| 240 | L | 98.3 | Very high | 94.2 | Very high | 21 Ų | 21 | 61.8 Ų | 61.8 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 125.9 | 171.7 | -178.6 | 68.8 | 0 | 0 | 0 | 110.4 | P113 P115 V155 Y159 F242 P243 | P113-L240 HydrophobicContact CB-CD2 4.26Å; P113-L240 HydrophobicContact CG-CD2 4.16Å; P115-L240 HydrophobicContact CG-CB 3.84Å; P115-L240 HydrophobicContact CG-CD2 4.2Å; P115-L240 PolarHBondContact O-N 3.39Å; V155-L240 HydrophobicContact CG1-CD2 4.2Å; Y159-L240 HydrophobicContact CD1-CB 4.15Å; Y159-L240 HydrophobicContact CD1-CD1 4.49Å; Y159-L240 HydrophobicContact CD2-CD1 4.04Å; Y159-L240 HydrophobicContact CE1-CB 3.67Å; Y159-L240 HydrophobicContact CE1-CD1 4.05Å; Y159-L240 HydrophobicContact CE1-CG 4.47Å; Y159-L240 HydrophobicContact CE2-CD1 3.56Å; Y159-L240 HydrophobicContact CG-CD1 4.49Å; L240-F242 WeakPolarHBondContact CD1-O 3.22Å; L240-P243 HydrophobicContact CD2-CB 4.41Å |
| 241 | I | 97.4 | Very high | 94.8 | Very high | 80 Ų | 80 | 58.3 Ų | 58.3 | 41% | 0.41 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -51.7 | 173 | -47.5 | 176.3 | 0 | 0 | 0 | 109.3 | Y158 V206 F239 | Y158-I241 WeakPolarHBondContact O-CB 3.3Å; Y158-I241 WeakPolarHBondContact O-CG1 3.18Å; Y158-I241 PolarHBondContact O-N 3.44Å; V206-I241 HydrophobicContact CG1-CD1 3.96Å; V206-I241 HydrophobicContact CG2-CD1 4.02Å; F239-I241 HydrophobicContact CE2-CG1 4.17Å |
| 242 | F | 94.8 | Very high | 95.4 | Very high | 102 Ų | 102 | 53.1 Ų | 53.1 | 45% | 0.447 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 142.6 | 172.2 | 49.8 | -89.2 | 0 | 0 | 0 | 110.8 | G157 Y158 L240 | G157-F242 WeakPolarHBondContact CA-O 3.41Å; Y158-F242 HydrophobicContact CD1-CE2 4.49Å; Y158-F242 HydrophobicContact CD1-CZ 4.2Å; Y158-F242 AromaticContact CD2-CD2 3.63Å; Y158-F242 HydrophobicContact CD2-CD2 3.63Å; Y158-F242 HydrophobicContact CD2-CE1 4.49Å; Y158-F242 AromaticContact CD2-CE2 2.98Å; Y158-F242 HydrophobicContact CD2-CE2 2.98Å; Y158-F242 AromaticContact CD2-CZ 3.49Å; Y158-F242 HydrophobicContact CD2-CZ 3.49Å; Y158-F242 VanDerWaalsContact CD2-CZ 3.49Å; Y158-F242 HydrophobicContact CE2-CD2 4.3Å; Y158-F242 AromaticContact CE2-CE2 3.43Å; Y158-F242 HydrophobicContact CE2-CE2 3.43Å; Y158-F242 VanDerWaalsContact CE2-CE2 3.43Å; Y158-F242 HydrophobicContact CE2-CZ 4.03Å; Y158-F242 HydrophobicContact CG-CD2 4.31Å; Y158-F242 HydrophobicContact CG-CE1 4.32Å; Y158-F242 AromaticContact CG-CE2 3.59Å; Y158-F242 HydrophobicContact CG-CE2 3.59Å; Y158-F242 AromaticContact CG-CZ 3.56Å; Y158-F242 HydrophobicContact CG-CZ 3.56Å; Y158-F242 PolarHBondContact N-O 2.75Å; L240-F242 WeakPolarHBondContact CD1-O 3.22Å |
| 243 | P | 95.8 | Very high | 96 | Very high | 64 Ų | 64 | 54.4 Ų | 54.4 | 42% | 0.416 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 152.4 | 174.6 | 28.5 | -33.8 | 0 | 0 | 0 | 110.8 | P113 V155 P156 L240 | P113-P243 HydrophobicContact CG-CB 4.39Å; P113-P243 HydrophobicContact CG-CG 4.48Å; V155-P243 HydrophobicContact CG1-CB 4.27Å; P156-P243 WeakPolarHBondContact O-CA 3.41Å; L240-P243 HydrophobicContact CD2-CB 4.41Å |
| 244 | S | 93.7 | Very high | 96.2 | Very high | 47 Ų | 47 | 52.9 Ų | 52.9 | 33% | 0.329 | 33% | 0.325 | S | S | . | . | trans | -65.2 | 145.4 | 167.6 | -64.6 | 0 | 0 | 0 | 0 | 109.3 | P156 G157 | P156-S244 PolarHBondContact O-N 2.83Å; G157-S244 VanDerWaalsContact CA-OG 3.31Å; G157-S244 WeakPolarHBondContact CA-OG 3.37Å; G157-S244 PolarHBondContact N-OG 2.78Å | ||
| 245 | A | 83.9 | Confident | 96.1 | Very high | 174 Ų | 174 | 57.5 Ų | 57.5 | 100% | 1.438 | 35% | 0.354 | S | S | * | . | trans | -69.8 | 0 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 |
Retrieved 245 of 245 residues in 986.9 ms
(Link to these results)