| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47 | Very low | 51.5 | Low | 243 Ų | 243 | 155.8 Ų | 155.8 | 100% | 1.197 | 78% | 0.781 | S | S | * | * | 0 | 105.3 | 0 | -82.8 | -179.9 | -110.9 | 0 | 0 | 109.2 | |||||
| 2 | R | 49.3 | Very low | 51.7 | Low | 249 Ų | 249 | 147.4 Ų | 147.4 | 94% | 0.94 | 75% | 0.754 | S | S | * | * | trans | 163.4 | 56 | 159.1 | -95.1 | -179.4 | -175.8 | -173.1 | 3 | 111.9 | ||||
| 3 | I | 48.8 | Very low | 52.1 | Low | 168 Ų | 168 | 144.1 Ų | 144.1 | 86% | 0.862 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -152.5 | 63.9 | 161.1 | -47.8 | 177.4 | 0 | 0 | 0 | 109.3 | ||
| 4 | I | 52.5 | Low | 52.3 | Low | 152 Ų | 152 | 137.6 Ų | 137.6 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -136.6 | -8.5 | 166.9 | -58.5 | -178.3 | 0 | 0 | 0 | 112.3 | ||
| 5 | S | 53.9 | Low | 52.6 | Low | 108 Ų | 108 | 134.4 Ų | 134.4 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -89.4 | -3.1 | -173.1 | -165.2 | 0 | 0 | 0 | 0 | 116.9 | ||
| 6 | C | 49.4 | Very low | 52.7 | Low | 103 Ų | 103 | 131.9 Ų | 131.9 | 70% | 0.696 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -100.2 | -10.7 | -173.3 | -119.6 | 0 | 0 | 0 | 0 | 115 | T9 | C6-T9 PolarHBondContact O-OG1 3.37Š|
| 7 | Q | 51.2 | Low | 52.7 | Low | 161 Ų | 161 | 128.1 Ų | 128.1 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -89.4 | -23 | -178.3 | -101.2 | 166 | -29.6 | 0 | 0 | 113.8 | ||
| 8 | W | 49.3 | Very low | 52.5 | Low | 219 Ų | 219 | 126.2 Ų | 126.2 | 83% | 0.83 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -81.7 | -26.1 | 179.8 | -84.3 | 59.7 | 0 | 0 | 0 | 113.7 | A12 | W8-A12 PolarHBondContact O-N 3.21Å |
| 9 | T | 54.8 | Low | 52.2 | Low | 86 Ų | 86 | 124.3 Ų | 124.3 | 53% | 0.528 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -75.4 | -32.7 | 178.6 | 38.9 | 0 | 0 | 0 | 0 | 112.9 | C6 V13 | C6-T9 PolarHBondContact O-OG1 3.37Å; T9-V13 WeakPolarHBondContact O-CG2 3.38Å; T9-V13 PolarHBondContact O-N 3.33Å |
| 10 | L | 53.8 | Low | 52 | Low | 130 Ų | 130 | 123.6 Ų | 123.6 | 68% | 0.681 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -73.3 | -33.7 | 177.9 | -98.4 | 151.7 | 0 | 0 | 0 | 113.2 | A14 | L10-A14 PolarHBondContact O-N 2.73Å |
| 11 | V | 56.6 | Low | 51.9 | Low | 95 Ų | 95 | 123 Ų | 123 | 58% | 0.576 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -71.9 | -36.2 | 176.6 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | V13 A14 V15 | V11-V13 PolarHBondContact O-N 3.3Å; V11-A14 PolarHBondContact O-N 3.35Å; V11-V15 HydrophobicContact CG1-CG2 4.45Å; V11-V15 WeakPolarHBondContact O-CG2 3.39Å; V11-V15 PolarHBondContact O-N 3.34Å; V11-V15 VanDerWaalsContact O-N 3.12Å |
| 12 | A | 54.4 | Low | 51.6 | Low | 55 Ų | 55 | 120 Ų | 120 | 46% | 0.455 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -65.8 | -36.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | W8 V16 | W8-A12 PolarHBondContact O-N 3.21Å; A12-V16 WeakPolarHBondContact O-CG2 3.3Å; A12-V16 PolarHBondContact O-N 2.8Å |
| 13 | V | 57 | Low | 51.6 | Low | 104 Ų | 104 | 113.5 Ų | 113.5 | 63% | 0.63 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.9 | -33.8 | 178.7 | 176.3 | 0 | 0 | 0 | 0 | 111.8 | T9 V11 S17 | T9-V13 WeakPolarHBondContact O-CG2 3.38Å; T9-V13 PolarHBondContact O-N 3.33Å; V11-V13 PolarHBondContact O-N 3.3Å; V13-S17 PolarHBondContact O-N 3.43Å; V13-S17 PolarHBondContact O-OG 2.84Å |
| 14 | A | 54.5 | Low | 51.4 | Low | 54 Ų | 54 | 111 Ų | 111 | 45% | 0.446 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -71 | -36.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L10 V11 S17 V18 | L10-A14 PolarHBondContact O-N 2.73Å; V11-A14 PolarHBondContact O-N 3.35Å; A14-S17 PolarHBondContact O-OG 3.45Å; A14-S17 VanDerWaalsContact O-OG 3.14Å; A14-V18 VanDerWaalsContact O-CG2 3.29Å; A14-V18 WeakPolarHBondContact O-CG2 3.41Å; A14-V18 PolarHBondContact O-N 3.03Å |
| 15 | V | 55.9 | Low | 50.9 | Low | 89 Ų | 89 | 114 Ų | 114 | 54% | 0.539 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -72.5 | -39.2 | 178.5 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | V11 V18 T19 | V11-V15 HydrophobicContact CG1-CG2 4.45Å; V11-V15 WeakPolarHBondContact O-CG2 3.39Å; V11-V15 PolarHBondContact O-N 3.34Å; V11-V15 VanDerWaalsContact O-N 3.12Å; V15-V18 PolarHBondContact O-N 3.39Å; V15-T19 PolarHBondContact O-N 3.16Å; V15-T19 PolarHBondContact O-OG1 2.86Å |
| 16 | V | 54.3 | Low | 50.2 | Low | 94 Ų | 94 | 115 Ų | 115 | 57% | 0.57 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.1 | -36.6 | 179.2 | 173.5 | 0 | 0 | 0 | 0 | 112.1 | A12 T19 V20 | A12-V16 WeakPolarHBondContact O-CG2 3.3Å; A12-V16 PolarHBondContact O-N 2.8Å; V16-T19 WeakPolarHBondContact CA-OG1 3.35Å; V16-T19 PolarHBondContact O-N 2.88Å; V16-T19 PolarHBondContact O-OG1 3.29Å; V16-V20 WeakPolarHBondContact O-CG2 3.33Å; V16-V20 PolarHBondContact O-N 2.79Å |
| 17 | S | 52.5 | Low | 49.8 | Very low | 67 Ų | 67 | 119.1 Ų | 119.1 | 47% | 0.469 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -71.5 | -32.6 | 177.6 | 44.3 | 0 | 0 | 0 | 0 | 113.1 | V13 A14 | V13-S17 PolarHBondContact O-N 3.43Å; V13-S17 PolarHBondContact O-OG 2.84Å; A14-S17 PolarHBondContact O-OG 3.45Å; A14-S17 VanDerWaalsContact O-OG 3.14Å |
| 18 | V | 49.8 | Very low | 49.2 | Very low | 95 Ų | 95 | 117.7 Ų | 117.7 | 58% | 0.576 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -74 | -31.2 | 175.7 | 174.2 | 0 | 0 | 0 | 0 | 112.3 | A14 V15 | A14-V18 VanDerWaalsContact O-CG2 3.29Å; A14-V18 WeakPolarHBondContact O-CG2 3.41Å; A14-V18 PolarHBondContact O-N 3.03Å; V15-V18 PolarHBondContact O-N 3.39Å |
| 19 | T | 47.4 | Very low | 48.7 | Very low | 90 Ų | 90 | 113.9 Ų | 113.9 | 55% | 0.552 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.5 | -22.5 | 175.7 | 38.4 | 0 | 0 | 0 | 0 | 115 | V15 V16 | V15-T19 PolarHBondContact O-N 3.16Å; V15-T19 PolarHBondContact O-OG1 2.86Å; V16-T19 WeakPolarHBondContact CA-OG1 3.35Å; V16-T19 PolarHBondContact O-N 2.88Å; V16-T19 PolarHBondContact O-OG1 3.29Å |
| 20 | V | 48.5 | Very low | 48.2 | Very low | 109 Ų | 109 | 114.2 Ų | 114.2 | 66% | 0.661 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -82.3 | -21.7 | -179.9 | 175.3 | 0 | 0 | 0 | 0 | 112.4 | V16 | V16-V20 WeakPolarHBondContact O-CG2 3.33Å; V16-V20 PolarHBondContact O-N 2.79Å |
| 21 | V | 48.1 | Very low | 47.5 | Very low | 113 Ų | 113 | 117.1 Ų | 117.1 | 69% | 0.685 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -82.3 | -19 | -179.7 | 178.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 22 | F | 42.4 | Very low | 46.6 | Very low | 179 Ų | 179 | 117.5 Ų | 117.5 | 79% | 0.785 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 6.2 | -177.5 | -89.5 | -82.1 | 0 | 0 | 0 | 116.1 | ||
| 23 | C | 48.1 | Very low | 45.7 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 76% | 0.757 | 70% | 0.703 | S | S | * | * | trans | -121.6 | 62 | 179.1 | -93.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 24 | T | 43.9 | Very low | 44.6 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 72% | 0.718 | 71% | 0.712 | S | S | * | * | trans | -125 | 93.5 | 154.4 | 52.1 | 0 | 0 | 0 | 0 | 109.4 | T26 | T24-T26 PolarHBondContact O-N 3.3Å; T24-T26 VanDerWaalsContact O-N 3.07Å | ||
| 25 | K | 42.8 | Very low | 43.7 | Very low | 213 Ų | 213 | 134 Ų | 134 | 93% | 0.926 | 73% | 0.729 | S | S | * | * | trans | -65.5 | 102.4 | 165.1 | -82.3 | 179.5 | 175.4 | 174.8 | 0 | 108.1 | K27 | K25-K27 PolarHBondContact O-N 3.08Š| ||
| 26 | T | 40.4 | Very low | 42.6 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -68.5 | 113 | 168.1 | 40.8 | 0 | 0 | 0 | 0 | 109 | T24 | T24-T26 PolarHBondContact O-N 3.3Å; T24-T26 VanDerWaalsContact O-N 3.07Å | ||
| 27 | K | 40.9 | Very low | 41.7 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | -68 | 136.3 | 167.5 | -71.4 | 175.9 | 177.7 | 176.1 | 0 | 108.4 | K25 T29 | K25-K27 PolarHBondContact O-N 3.08Å; K27-T29 PolarHBondContact O-N 2.79Å | ||
| 28 | P | 37.2 | Very low | 41.1 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | -70.1 | 114 | 172 | 27.2 | -30.2 | 0 | 0 | 0 | 109.2 | A30 | P28-A30 PolarHBondContact O-N 3.42Š| ||
| 29 | T | 40.3 | Very low | 40.3 | Very low | 139 Ų | 139 | 152 Ų | 152 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 125.5 | 172.8 | -28.9 | 0 | 0 | 0 | 0 | 109 | K27 | K27-T29 PolarHBondContact O-N 2.79Š|
| 30 | A | 43.3 | Very low | 39.6 | Very low | 93 Ų | 93 | 153.6 Ų | 153.6 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 138.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P28 | P28-A30 PolarHBondContact O-N 3.42Š|
| 31 | K | 39.7 | Very low | 38.9 | Very low | 191 Ų | 191 | 154.6 Ų | 154.6 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 140.3 | 178.5 | -61.8 | 177.6 | 179 | -179.7 | 0 | 111.7 | K33 | K31-K33 PolarHBondContact O-N 2.89Š|
| 32 | P | 36.8 | Very low | 38.1 | Very low | 103 Ų | 103 | 154.6 Ų | 154.6 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 125.1 | 160.4 | 28 | -29.6 | 0 | 0 | 0 | 109.3 | Y34 | P32-Y34 PolarHBondContact O-N 2.81Š|
| 33 | K | 36.8 | Very low | 37.5 | Very low | 196 Ų | 196 | 154.6 Ų | 154.6 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | trans | -68.7 | 115.6 | 166.9 | -71.7 | 178.7 | 178.6 | 178.2 | 0 | 108 | K31 L35 | K31-K33 PolarHBondContact O-N 2.89Å; K33-L35 PolarHBondContact O-N 3.1Å | ||
| 34 | Y | 32.6 | Very low | 36.7 | Very low | 211 Ų | 211 | 155.8 Ų | 155.8 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -75.9 | 108.2 | 165.6 | -76 | -84 | 0 | 0 | 0 | 108.7 | P32 Y36 | P32-Y34 PolarHBondContact O-N 2.81Å; Y34-Y36 PolarHBondContact O-N 2.72Å | ||
| 35 | L | 36.6 | Very low | 35.9 | Very low | 151 Ų | 151 | 155.1 Ų | 155.1 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -76.8 | 109.9 | 160.5 | -107.1 | 93.1 | 0 | 0 | 0 | 107.8 | K33 T37 | K33-L35 PolarHBondContact O-N 3.1Å; L35-T37 PolarHBondContact O-N 2.8Å | ||
| 36 | Y | 31.3 | Very low | 35.3 | Very low | 224 Ų | 224 | 150.4 Ų | 150.4 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -81.3 | 103.2 | 166.7 | -130.1 | -87.4 | 0 | 0 | 0 | 108.4 | Y34 | Y34-Y36 PolarHBondContact O-N 2.72Š| ||
| 37 | T | 35.8 | Very low | 34.8 | Very low | 105 Ų | 105 | 152.4 Ų | 152.4 | 64% | 0.644 | 79% | 0.794 | S | S | * | * | trans | -79.2 | 121.1 | 168 | 37.9 | 0 | 0 | 0 | 0 | 108.6 | L35 K39 | L35-T37 PolarHBondContact O-N 2.8Å; T37-K39 PolarHBondContact O-N 3.37Å | ||
| 38 | K | 40.7 | Very low | 34.4 | Very low | 205 Ų | 205 | 150.9 Ų | 150.9 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | -65.7 | 112.3 | 169.2 | -72.5 | -177.2 | 177.7 | -179 | 0 | 108.2 | ||||
| 39 | K | 32.7 | Very low | 34.2 | Very low | 191 Ų | 191 | 150.6 Ų | 150.6 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 138.4 | 163.7 | -79.7 | -174.2 | 177.7 | -178.9 | 0 | 109.5 | T37 | T37-K39 PolarHBondContact O-N 3.37Š|
| 40 | P | 32.4 | Very low | 33.6 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 152.2 | -174.9 | 29.1 | -32.4 | 0 | 0 | 0 | 112.9 | ||
| 41 | V | 33.4 | Very low | 33 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 132.8 | 176.8 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | Q43 | V41-Q43 PolarHBondContact O-N 3.4Š|
| 42 | P | 31.5 | Very low | 32.4 | Very low | 114 Ų | 114 | 149.6 Ų | 149.6 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 117.8 | 168.8 | -10.6 | 26.3 | 0 | 0 | 0 | 110.1 | ||
| 43 | Q | 30.4 | Very low | 32.1 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 124.1 | 163 | -72.8 | -168.1 | -20.1 | 0 | 0 | 108.8 | V41 | V41-Q43 PolarHBondContact O-N 3.4Š|
| 44 | V | 30.4 | Very low | 31.7 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | -98.3 | 110.5 | 170.2 | 178.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 45 | T | 28.4 | Very low | 31.9 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 63% | 0.632 | 79% | 0.785 | S | S | * | * | trans | -91 | 135.3 | 169.8 | -38.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 46 | P | 29.8 | Very low | 31.4 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | trans | -80.9 | 124.2 | -178.7 | 30.3 | -31.2 | 0 | 0 | 0 | 111.2 | ||||
| 47 | H | 30.7 | Very low | 31.1 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -119.5 | 116.8 | 166.1 | -91.3 | -68.6 | 0 | 0 | 0 | 110.3 | ||||
| 48 | N | 31.1 | Very low | 30.6 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74 | 138 | 166.6 | -76.6 | -18.1 | 0 | 0 | 0 | 110.2 | ||
| 49 | P | 32.8 | Very low | 30 | Very low | 126 Ų | 126 | 140 Ų | 140 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 126.5 | 162.7 | 9.2 | 9.4 | 0 | 0 | 0 | 111.9 | ||
| 50 | V | 28.5 | Very low | 29.7 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 146.1 | 167.8 | 170.1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 51 | T | 31.4 | Very low | 29.4 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 150.2 | -178.1 | -42.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 52 | T | 27.4 | Very low | 29.2 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -147.1 | 123.6 | 150 | -34.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 53 | S | 29.2 | Very low | 29.1 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | trans | -73.8 | 163 | 174.9 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 54 | V | 28.9 | Very low | 29.5 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | -170.3 | 174.5 | 110.2 | -132.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 55 | P | 35.9 | Very low | 29.6 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | -129 | 178.4 | -116 | 43.4 | -23.1 | 0 | 0 | 0 | 115.9 | |||||
| 56 | Q | 27.5 | Very low | 30.2 | Very low | 197 Ų | 197 | 138 Ų | 138 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -163.8 | 157.5 | 147.2 | -108.4 | 169.4 | 20.2 | 0 | 0 | 112.3 | ||||
| 57 | T | 24.6 | Very low | 30.3 | Very low | 118 Ų | 118 | 139 Ų | 139 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | trans | -116.3 | 167.5 | -137.9 | -30.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 58 | L | 25.4 | Very low | 30.6 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | 93.3 | 130 | 159 | -58.3 | 167.6 | 0 | 0 | 0 | 115.7 | ||||
| 59 | K | 26.8 | Very low | 30.7 | Very low | 191 Ų | 191 | 138 Ų | 138 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | cis | -159.3 | 153.4 | 15.7 | -104.1 | 163.8 | -174 | -174.8 | 0 | 110.1 | ||||
| 60 | I | 27.2 | Very low | 30.8 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 82% | 0.821 | 80% | 0.798 | S | S | * | * | trans | -94.7 | 140.2 | 176.5 | -64.5 | 166.1 | 0 | 0 | 0 | 110.7 | ||||
| 61 | V | 26.5 | Very low | 31.3 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -144.1 | 152.5 | 152.3 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 62 | V | 27.9 | Very low | 31.4 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -83.5 | 156.9 | -150.4 | 175.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 63 | T | 30.2 | Very low | 32 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -61.8 | 170 | 175.3 | -10.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 64 | P | 38.9 | Very low | 32.8 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | -146.7 | 161.2 | 71.1 | 34.3 | -11.2 | 0 | 0 | 0 | 118.7 | |||||
| 65 | N | 33.2 | Very low | 33.4 | Very low | 147 Ų | 147 | 143 Ų | 143 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -52.5 | 163.9 | 174.6 | -94.3 | -6.2 | 0 | 0 | 0 | 115.9 | ||||
| 66 | P | 40.8 | Very low | 33.7 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | -161.6 | 171.1 | 73.5 | 45.2 | -22.4 | 0 | 0 | 0 | 121.7 | |||||
| 67 | V | 31.1 | Very low | 33.9 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | 85.4 | 115.1 | 151.7 | -164.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 68 | Q | 36.4 | Very low | 34.4 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | -83.5 | 160.1 | 157.8 | -79.5 | -179.9 | -45 | 0 | 0 | 112.3 | ||||
| 69 | P | 34.8 | Very low | 35.2 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -122 | 151.5 | 135.5 | 1.3 | 20 | 0 | 0 | 0 | 114.9 | ||||
| 70 | Q | 34 | Very low | 35.3 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 163.2 | -173.4 | -79.2 | 177.1 | -46.8 | 0 | 0 | 116.7 | ||
| 71 | P | 38.2 | Very low | 35.3 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -92 | 155.5 | 176.1 | 34.5 | -29.8 | 0 | 0 | 0 | 114.9 | ||
| 72 | Q | 34.7 | Very low | 35.4 | Very low | 191 Ų | 191 | 134.4 Ų | 134.4 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 157.5 | 179.1 | -75.4 | -173.2 | -20.9 | 0 | 0 | 114.3 | ||
| 73 | P | 40 | Very low | 35.3 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 166.2 | -164.7 | 36.6 | -35.1 | 0 | 0 | 0 | 116.5 | ||
| 74 | P | 45.2 | Very low | 35.1 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 166.7 | -177.7 | 37.6 | -34.2 | 0 | 0 | 0 | 114.3 | ||
| 75 | P | 42.5 | Very low | 34.6 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 159.1 | -180 | 33.7 | -33 | 0 | 0 | 0 | 114.4 | ||
| 76 | P | 40.9 | Very low | 34.2 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 168.4 | -170.3 | 36.2 | -34.7 | 0 | 0 | 0 | 116 | ||
| 77 | A | 32.4 | Very low | 33.4 | Very low | 94 Ų | 94 | 143 Ų | 143 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 157.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 78 | Q | 34.9 | Very low | 33.2 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | 1.1 | 170.6 | 157.9 | -48.7 | -175.1 | -27 | 0 | 0 | 123.5 | ||||
| 79 | P | 43.3 | Very low | 32.8 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | -153.1 | 148.5 | 87.8 | 40 | -19.6 | 0 | 0 | 0 | 120.1 | |||||
| 80 | T | 28 | Very low | 32.3 | Very low | 127 Ų | 127 | 144 Ų | 144 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | 62.2 | 128.7 | 137.1 | 53.1 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 81 | A | 27.4 | Very low | 31.7 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | -179.4 | 121.1 | 102.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 82 | V | 27.5 | Very low | 32 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | 61.7 | 128.7 | 134.5 | -163.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 83 | R | 27.1 | Very low | 31.6 | Very low | 215 Ų | 215 | 139.8 Ų | 139.8 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -74.2 | 144 | 179.3 | -175.7 | -169.8 | -158.4 | -177.6 | 5.4 | 114.4 | ||||
| 84 | T | 24.8 | Very low | 31 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | -158.4 | 132.9 | 132.4 | -4.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 85 | T | 28.8 | Very low | 30 | Very low | 103 Ų | 103 | 146.6 Ų | 146.6 | 63% | 0.632 | 79% | 0.789 | S | S | * | * | trans | -74.2 | 154 | 172.7 | 41.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 86 | Y | 24.6 | Very low | 29.3 | Very low | 230 Ų | 230 | 146.8 Ų | 146.8 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | -163.5 | 140.5 | 129.4 | -91.1 | -68.3 | 0 | 0 | 0 | 111.5 | |||||
| 87 | V | 25.1 | Very low | 28.7 | Very low | 124 Ų | 124 | 148 Ų | 148 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -125.2 | 127.9 | 172.4 | 172.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 88 | N | 26.1 | Very low | 28.5 | Very low | 137 Ų | 137 | 150.8 Ų | 150.8 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | 167.8 | 155.2 | 119.6 | -110.6 | -24.4 | 0 | 0 | 0 | 115.7 | |||||
| 89 | H | 28.8 | Very low | 28.3 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 73% | 0.731 | 79% | 0.788 | S | S | * | * | trans | -39.1 | 153.1 | -179.7 | -62.6 | -49 | 0 | 0 | 0 | 122.2 | ||||
| 90 | N | 23.8 | Very low | 27.6 | Very low | 167 Ų | 167 | 151.3 Ų | 151.3 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | -174.9 | 137 | 112.4 | -89.1 | -20.8 | 0 | 0 | 0 | 114.5 | |||||
| 91 | L | 22.4 | Very low | 27.6 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -82.4 | -171.1 | 173.9 | -123.3 | 81.9 | 0 | 0 | 0 | 111.2 | ||||
| 92 | P | 44.3 | Very low | 27.9 | Very low | 98 Ų | 98 | 153.6 Ų | 153.6 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | cis | -139.4 | -170.6 | -34.6 | 29.9 | -6.7 | 0 | 0 | 0 | 115.6 | ||||
| 93 | Q | 26.3 | Very low | 28.2 | Very low | 157 Ų | 157 | 149.9 Ų | 149.9 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | 100.6 | 127.4 | 156.9 | -55.3 | -168.5 | -18.4 | 0 | 0 | 116.3 | ||||
| 94 | H | 26.2 | Very low | 28.8 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | cis | -144.1 | 150.2 | 45 | -90 | -79.5 | 0 | 0 | 0 | 115.5 | ||||
| 95 | Y | 25.7 | Very low | 29.3 | Very low | 207 Ų | 207 | 142.8 Ų | 142.8 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -76.2 | 155.7 | 168.6 | -89.3 | -102.5 | 0 | 0 | 0 | 113.3 | ||||
| 96 | S | 27.1 | Very low | 30.1 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -152.1 | 128.1 | 131.4 | -71.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 97 | E | 27.9 | Very low | 30.9 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -66 | 154.9 | -170.3 | -70.9 | 160.1 | 120.7 | 0 | 0 | 114.8 | ||||
| 98 | N | 28.3 | Very low | 31.3 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | -169.8 | 100.8 | 114.6 | -85.6 | -21.9 | 0 | 0 | 0 | 111.5 | |||||
| 99 | T | 31 | Very low | 32 | Very low | 132 Ų | 132 | 145 Ų | 145 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | 52.5 | 101.2 | 141.8 | -28.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 100 | E | 27.4 | Very low | 32.3 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 150.9 | 160.5 | -67.1 | -177.2 | 155.1 | 0 | 0 | 112.3 | ||
| 101 | P | 28.5 | Very low | 33.1 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 129.8 | 138.3 | 7.8 | 11.2 | 0 | 0 | 0 | 109.8 | ||
| 102 | T | 33.3 | Very low | 33.8 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -47.6 | 127 | -178.7 | -6.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 103 | G | 35.2 | Very low | 33.7 | Very low | 68 Ų | 68 | 144.4 Ų | 144.4 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 101.5 | 69.9 | 142.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 104 | V | 39.5 | Very low | 34.5 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -138.9 | 95.4 | 154.5 | -170.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 105 | G | 35.8 | Very low | 35.3 | Very low | 57 Ų | 57 | 143 Ų | 143 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | trans | -74.9 | 153.9 | 160 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 106 | P | 44.3 | Very low | 35.8 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -68.8 | 146.1 | 165.7 | 33 | -30.1 | 0 | 0 | 0 | 107.4 | ||
| 107 | D | 42.7 | Very low | 36.2 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 81.3 | 73.5 | 177.1 | -43 | -33.6 | 0 | 0 | 0 | 115.4 | ||
| 108 | N | 33.1 | Very low | 36.7 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -176 | 90.9 | 140.7 | -96 | -28.3 | 0 | 0 | 0 | 110.9 | T110 | N108-T110 PolarHBondContact O-N 3.45Š| ||
| 109 | Y | 39.8 | Very low | 37.1 | Very low | 239 Ų | 239 | 140.4 Ų | 140.4 | 94% | 0.937 | 76% | 0.757 | S | S | * | * | trans | -91.2 | 60.7 | 158.3 | -60.1 | -76.4 | 0 | 0 | 0 | 109.1 | L111 | Y109-L111 PolarHBondContact O-N 3.34Š| ||
| 110 | T | 36.4 | Very low | 37.4 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | trans | -90.4 | 93.6 | 167.3 | -46.7 | 0 | 0 | 0 | 0 | 106.2 | N108 D112 | N108-T110 PolarHBondContact O-N 3.45Å; T110-D112 PolarHBondContact O-N 3Å | ||
| 111 | L | 39 | Very low | 37.9 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | trans | -65.1 | 103.8 | 164.6 | -75.9 | 169.2 | 0 | 0 | 0 | 106.7 | Y109 Y113 | Y109-L111 PolarHBondContact O-N 3.34Å; L111-Y113 PolarHBondContact O-N 3.41Å | ||
| 112 | D | 37.1 | Very low | 38.7 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | trans | -64.2 | 101.3 | 175 | -145.4 | -9.4 | 0 | 0 | 0 | 107.6 | T110 N114 | T110-D112 PolarHBondContact O-N 3Å; D112-N114 PolarHBondContact O-N 2.98Å | ||
| 113 | Y | 44 | Very low | 39.3 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -74.9 | 13.9 | -165.8 | -124.1 | -92.5 | 0 | 0 | 0 | 114.1 | L111 | L111-Y113 PolarHBondContact O-N 3.41Š|
| 114 | N | 42.7 | Very low | 39.7 | Very low | 129 Ų | 129 | 143 Ų | 143 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -91.3 | 2.5 | -172.1 | -78.2 | -28.8 | 0 | 0 | 0 | 114.9 | D112 | D112-N114 PolarHBondContact O-N 2.98Š|
| 115 | E | 42.1 | Very low | 40.3 | Very low | 174 Ų | 174 | 141.4 Ų | 141.4 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -131.4 | 31.3 | -178.6 | -68 | -71.6 | 157.8 | 0 | 0 | 113.3 | ||
| 116 | C | 37.6 | Very low | 41 | Very low | 90 Ų | 90 | 144.7 Ų | 144.7 | 61% | 0.608 | 75% | 0.75 | S | S | * | * | trans | -112 | 70.7 | 168.4 | -75.9 | 0 | 0 | 0 | 0 | 111 | F118 | C116-F118 VanDerWaalsContact C-N 3.35Å; C116-F118 HydrophobicContact CB-CD2 4.26Å; C116-F118 HydrophobicContact CB-CE2 4.13Å; C116-F118 PolarHBondContact O-N 3.14Å; C116-F118 VanDerWaalsContact O-N 3.13Å | ||
| 117 | Y | 34.5 | Very low | 41.5 | Very low | 193 Ų | 193 | 148.3 Ų | 148.3 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | trans | -72.9 | 91.3 | 157.8 | -88.2 | -89.2 | 0 | 0 | 0 | 108.7 | N119 | Y117-N119 PolarHBondContact O-N 2.97Š| ||
| 118 | F | 37.6 | Very low | 42.2 | Very low | 177 Ų | 177 | 153.2 Ų | 153.2 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -72.9 | 78.1 | 161.6 | -78.1 | -82.1 | 0 | 0 | 0 | 108.8 | C116 F120 | C116-F118 VanDerWaalsContact C-N 3.35Å; C116-F118 HydrophobicContact CB-CD2 4.26Å; C116-F118 HydrophobicContact CB-CE2 4.13Å; C116-F118 PolarHBondContact O-N 3.14Å; C116-F118 VanDerWaalsContact O-N 3.13Å; F118-F120 PolarHBondContact O-N 3.43Å | ||
| 119 | N | 37.7 | Very low | 43.6 | Very low | 129 Ų | 129 | 149.1 Ų | 149.1 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | trans | -78.5 | 103.7 | 163.8 | -72.3 | -40.8 | 0 | 0 | 0 | 107.3 | Y117 C121 | Y117-N119 PolarHBondContact O-N 2.97Å; N119-C121 VanDerWaalsContact C-N 3.31Å; N119-C121 PolarHBondContact O-N 2.78Å | ||
| 120 | F | 37.9 | Very low | 44.5 | Very low | 203 Ų | 203 | 144 Ų | 144 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | trans | -66.2 | 97.7 | 159.5 | -82.4 | -89.6 | 0 | 0 | 0 | 107.4 | F118 | F118-F120 PolarHBondContact O-N 3.43Š| ||
| 121 | C | 36.3 | Very low | 45.8 | Very low | 82 Ų | 82 | 150.2 Ų | 150.2 | 55% | 0.554 | 76% | 0.764 | S | S | * | * | trans | -94.6 | 119.4 | 165.5 | -163.1 | 0 | 0 | 0 | 0 | 107 | N119 C123 C124 | N119-C121 VanDerWaalsContact C-N 3.31Å; N119-C121 PolarHBondContact O-N 2.78Å; C121-C123 PolarHBondContact O-N 2.83Å; C121-C124 PolarHBondContact O-N 3.25Å | ||
| 122 | E | 46.3 | Very low | 47.1 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 95% | 0.949 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 8.2 | 179.4 | -143.2 | 170.8 | -169.9 | 0 | 0 | 113.5 | ||
| 123 | C | 45.8 | Very low | 48.2 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | 6.2 | -175.2 | -62 | 0 | 0 | 0 | 0 | 114.5 | C121 | C121-C123 PolarHBondContact O-N 2.83Š|
| 124 | C | 43.3 | Very low | 49.1 | Very low | 96 Ų | 96 | 146 Ų | 146 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -128.6 | 119.2 | 178.3 | -64.3 | 0 | 0 | 0 | 0 | 111.1 | C121 | C121-C124 PolarHBondContact O-N 3.25Š|
| 125 | P | 51.5 | Low | 50 | Low | 116 Ų | 116 | 143 Ų | 143 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 137.6 | 172 | 25.4 | -30.6 | 0 | 0 | 0 | 109 | E127 | P125-E127 PolarHBondContact O-N 2.97Å; P125-E127 VanDerWaalsContact O-N 3.1Å |
| 126 | P | 51.5 | Low | 51 | Low | 126 Ų | 126 | 144 Ų | 144 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -64 | 117.6 | -178.7 | 24.6 | -31.6 | 0 | 0 | 0 | 109.1 | R128 | P126-R128 PolarHBondContact O-N 2.75Å; P126-R128 VanDerWaalsContact O-N 3.1Å |
| 127 | E | 55.6 | Low | 52.3 | Low | 192 Ų | 192 | 151.1 Ų | 151.1 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 118.6 | 168.8 | -77 | -170.5 | 164.6 | 0 | 0 | 108.2 | P125 G129 | P125-E127 PolarHBondContact O-N 2.97Å; P125-E127 VanDerWaalsContact O-N 3.1Å; E127-G129 PolarHBondContact O-N 2.83Å |
| 128 | R | 56.4 | Low | 53.2 | Low | 247 Ų | 247 | 145 Ų | 145 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | trans | -63.8 | 109.7 | 178.7 | -145.2 | 180 | -158.3 | -169.9 | 6.5 | 106.9 | P126 | P126-R128 PolarHBondContact O-N 2.75Å; P126-R128 VanDerWaalsContact O-N 3.1Å | ||
| 129 | G | 61.7 | Low | 54.1 | Low | 56 Ų | 56 | 142.2 Ų | 142.2 | 58% | 0.577 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 151.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E127 R131 | E127-G129 PolarHBondContact O-N 2.83Å; G129-R131 PolarHBondContact O-N 2.83Å |
| 130 | P | 58.7 | Low | 55.3 | Low | 131 Ų | 131 | 140.8 Ų | 140.8 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 133.1 | -179.1 | 22.5 | -32.5 | 0 | 0 | 0 | 109.9 | G132 | P130-G132 PolarHBondContact O-N 2.92Å; P130-G132 VanDerWaalsContact O-N 3.1Å |
| 131 | R | 64.9 | Low | 55.8 | Low | 236 Ų | 236 | 134.5 Ų | 134.5 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 120.6 | 177.7 | -177.4 | 179.2 | 178.6 | 176.8 | 1.9 | 108.1 | G129 | G129-R131 PolarHBondContact O-N 2.83Š|
| 132 | G | 65.3 | Low | 56.8 | Low | 49 Ų | 49 | 138.6 Ų | 138.6 | 51% | 0.505 | 79% | 0.794 | S | S | . | * | P | Polyproline II helix | trans | -53 | 151.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P130 K134 | P130-G132 PolarHBondContact O-N 2.92Å; P130-G132 VanDerWaalsContact O-N 3.1Å; G132-K134 PolarHBondContact O-N 2.68Å |
| 133 | P | 61 | Low | 57.7 | Low | 132 Ų | 132 | 134.5 Ų | 134.5 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 136.8 | 178.8 | 22.5 | -32.4 | 0 | 0 | 0 | 109.9 | G135 | P133-G135 PolarHBondContact O-N 2.96Å; P133-G135 VanDerWaalsContact O-N 3.12Å |
| 134 | K | 63.2 | Low | 58.1 | Low | 198 Ų | 198 | 132.8 Ų | 132.8 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 119.7 | 177.9 | -176.6 | 178.7 | 179.7 | 178.4 | 0 | 107.8 | G132 E136 | G132-K134 PolarHBondContact O-N 2.68Å; K134-E136 PolarHBondContact O-N 3.46Å |
| 135 | G | 60.2 | Low | 58.8 | Low | 65 Ų | 65 | 135.9 Ų | 135.9 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -51 | 139.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | P133 R137 | P133-G135 PolarHBondContact O-N 2.96Å; P133-G135 VanDerWaalsContact O-N 3.12Å; G135-R137 PolarHBondContact O-N 3.24Å |
| 136 | E | 63.1 | Low | 59.4 | Low | 194 Ų | 194 | 138.5 Ų | 138.5 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 137.4 | 178.2 | -66.5 | -176.8 | 166.1 | 0 | 0 | 110.1 | K134 G138 | K134-E136 PolarHBondContact O-N 3.46Å; E136-G138 PolarHBondContact O-N 2.89Å; E136-G138 VanDerWaalsContact O-N 3.11Å |
| 137 | R | 65.2 | Low | 59.5 | Low | 241 Ų | 241 | 135.2 Ų | 135.2 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 117.8 | 177.1 | -179 | -175 | -67.5 | 178.5 | -0.9 | 107.3 | G135 S139 | G135-R137 PolarHBondContact O-N 3.24Å; R137-S139 PolarHBondContact O-N 3.18Å |
| 138 | G | 54 | Low | 59.7 | Low | 65 Ų | 65 | 132.4 Ų | 132.4 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 140.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | E136 | E136-G138 PolarHBondContact O-N 2.89Å; E136-G138 VanDerWaalsContact O-N 3.11Å |
| 139 | S | 56.6 | Low | 60.3 | Low | 118 Ų | 118 | 125.5 Ų | 125.5 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 142 | 178.3 | 44.9 | 0 | 0 | 0 | 0 | 110.7 | R137 G141 | R137-S139 PolarHBondContact O-N 3.18Å; S139-G141 PolarHBondContact O-N 3.18Å |
| 140 | A | 62.9 | Low | 60 | Low | 98 Ų | 98 | 125.8 Ų | 125.8 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 130.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 141 | G | 48.8 | Very low | 60 | Low | 72 Ų | 72 | 125.9 Ų | 125.9 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 143.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | S139 | S139-G141 PolarHBondContact O-N 3.18Š|
| 142 | L | 56.8 | Low | 60.2 | Low | 167 Ų | 167 | 123.8 Ų | 123.8 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -56 | 141.4 | 175.4 | -69.4 | 167.4 | 0 | 0 | 0 | 109.9 | G144 | L142-G144 PolarHBondContact O-N 2.79Š|
| 143 | P | 66.1 | Low | 59.5 | Low | 117 Ų | 117 | 124.4 Ų | 124.4 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 131.9 | 173 | -23.7 | 33.2 | 0 | 0 | 0 | 110.2 | ||
| 144 | G | 53.3 | Low | 59.3 | Low | 72 Ų | 72 | 125.9 Ų | 125.9 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 143.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L142 | L142-G144 PolarHBondContact O-N 2.79Š|
| 145 | D | 57.8 | Low | 59.8 | Low | 162 Ų | 162 | 122 Ų | 122 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 139.3 | 178.9 | -64.1 | -42 | 0 | 0 | 0 | 111.3 | G147 | D145-G147 PolarHBondContact O-N 2.8Š|
| 146 | I | 64.6 | Low | 59.6 | Low | 171 Ų | 171 | 122 Ų | 122 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 121.7 | 177.3 | -61.6 | 172.5 | 0 | 0 | 0 | 108.2 | ||
| 147 | G | 54.2 | Low | 59.6 | Low | 57 Ų | 57 | 118.7 Ų | 118.7 | 59% | 0.588 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 148 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | D145 | D145-G147 PolarHBondContact O-N 2.8Š|
| 148 | P | 59.8 | Low | 59.9 | Low | 132 Ų | 132 | 113.1 Ų | 113.1 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 143.4 | 179.5 | 25.3 | -33.5 | 0 | 0 | 0 | 111.1 | G150 | P148-G150 PolarHBondContact O-N 3.02Š|
| 149 | A | 68.1 | Low | 60.1 | Low | 102 Ų | 102 | 113.5 Ų | 113.5 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 133.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 150 | G | 55.4 | Low | 60 | Low | 63 Ų | 63 | 116.1 Ų | 116.1 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 148.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P148 | P148-G150 PolarHBondContact O-N 3.02Š|
| 151 | P | 58.1 | Low | 60 | Low | 133 Ų | 133 | 117.1 Ų | 117.1 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 140.3 | 178.3 | 25.1 | -32.8 | 0 | 0 | 0 | 111 | G153 | P151-G153 PolarHBondContact O-N 2.81Š|
| 152 | Q | 68.7 | Low | 60.3 | Low | 191 Ų | 191 | 116.8 Ų | 116.8 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 130.3 | 176.7 | -172.7 | 175.8 | -8.4 | 0 | 0 | 110 | ||
| 153 | G | 51.9 | Low | 60.1 | Low | 63 Ų | 63 | 115.2 Ų | 115.2 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59 | 138.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P151 | P151-G153 PolarHBondContact O-N 2.81Š|
| 154 | I | 56.6 | Low | 59.4 | Low | 162 Ų | 162 | 118.4 Ų | 118.4 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 131.2 | 179.9 | -48.1 | 170.5 | 0 | 0 | 0 | 108.5 | G156 | I154-G156 PolarHBondContact O-N 3.15Š|
| 155 | P | 73.3 | Confident | 59 | Low | 117 Ų | 117 | 118.3 Ų | 118.3 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 135.5 | 174 | -25.1 | 33.9 | 0 | 0 | 0 | 111.4 | ||
| 156 | G | 57.2 | Low | 58.4 | Low | 65 Ų | 65 | 120.7 Ų | 120.7 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 147.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I154 | I154-G156 PolarHBondContact O-N 3.15Š|
| 157 | P | 61.3 | Low | 57.4 | Low | 124 Ų | 124 | 122.1 Ų | 122.1 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 147.2 | 179.1 | 24.6 | -32.3 | 0 | 0 | 0 | 111.4 | ||
| 158 | P | 73.1 | Confident | 57 | Low | 125 Ų | 125 | 122.8 Ų | 122.8 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 138.8 | 175.3 | -22.1 | 31.7 | 0 | 0 | 0 | 111.7 | I160 | P158-I160 PolarHBondContact O-N 3.23Š|
| 159 | G | 56.8 | Low | 56 | Low | 72 Ų | 72 | 124.3 Ų | 124.3 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 132 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | S161 | G159-S161 PolarHBondContact O-N 3.1Š|
| 160 | I | 55.1 | Low | 54.9 | Low | 174 Ų | 174 | 128.9 Ų | 128.9 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 123.5 | 171.4 | 35 | 170.2 | 0 | 0 | 0 | 110.3 | P158 | P158-I160 PolarHBondContact O-N 3.23Š|
| 161 | S | 63.5 | Low | 54.3 | Low | 119 Ų | 119 | 129.1 Ų | 129.1 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 131.7 | 175.3 | -60.8 | 0 | 0 | 0 | 0 | 109.9 | G159 | G159-S161 PolarHBondContact O-N 3.1Š|
| 162 | G | 54.2 | Low | 53.3 | Low | 64 Ų | 64 | 130.4 Ų | 130.4 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 152.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 163 | P | 53 | Low | 52.1 | Low | 134 Ų | 134 | 129.6 Ų | 129.6 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 136.6 | -178.8 | 24.7 | -31.9 | 0 | 0 | 0 | 111.8 | G165 | P163-G165 PolarHBondContact O-N 2.87Š|
| 164 | M | 52.1 | Low | 51.7 | Low | 185 Ų | 185 | 130.3 Ų | 130.3 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -56 | 124.1 | 177.4 | -176.5 | 170.8 | 63.3 | 0 | 0 | 111 | ||
| 165 | G | 45.1 | Very low | 50.8 | Low | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 141.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | P163 | P163-G165 PolarHBondContact O-N 2.87Š|
| 166 | F | 43.6 | Very low | 49.3 | Very low | 212 Ų | 212 | 134.3 Ų | 134.3 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65 | 137.5 | 175.3 | -75.9 | -87.8 | 0 | 0 | 0 | 111.6 | G168 | F166-G168 PolarHBondContact O-N 2.8Š|
| 167 | K | 44.3 | Very low | 48.4 | Very low | 202 Ų | 202 | 135 Ų | 135 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 117.3 | 179.3 | -174.9 | 179.9 | 180 | -176.3 | 0 | 110.7 | ||
| 168 | G | 45 | Very low | 47.4 | Very low | 71 Ų | 71 | 136 Ų | 136 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 140.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F166 | F166-G168 PolarHBondContact O-N 2.8Š|
| 169 | D | 40.2 | Very low | 46.7 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 157.9 | -178.4 | -73.7 | -47.7 | 0 | 0 | 0 | 114.3 | ||
| 170 | K | 44.8 | Very low | 45.9 | Very low | 199 Ų | 199 | 136.1 Ų | 136.1 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 137.6 | -172.3 | -167 | -179.5 | -175.6 | -174.9 | 0 | 113.6 | ||
| 171 | G | 42.8 | Very low | 45.1 | Very low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -147.1 | 144 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 172 | D | 37.5 | Very low | 44.6 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -76.9 | 168.1 | -151.3 | -70.7 | -53.1 | 0 | 0 | 0 | 119 | ||||
| 173 | K | 41.8 | Very low | 44.1 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | trans | -62.6 | 139.9 | -173.7 | -155.2 | -170.8 | -167.1 | -151.9 | 0 | 114.3 | E175 | K173-E175 IonicContact NZ-OE1 2.78Å; K173-E175 PolarHBondContact NZ-OE1 3.34Å | ||
| 174 | G | 43.4 | Very low | 43.9 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | -143.4 | 129.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 175 | E | 37.9 | Very low | 44.3 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -90.7 | 137.4 | -164.7 | -71.2 | -178.1 | 165.6 | 0 | 0 | 115.4 | K173 | K173-E175 IonicContact NZ-OE1 2.78Å; K173-E175 PolarHBondContact NZ-OE1 3.34Å | ||
| 176 | R | 43.2 | Very low | 44.1 | Very low | 212 Ų | 212 | 131.3 Ų | 131.3 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | 48.9 | 120.6 | 136.3 | -165.9 | -178.3 | -74.5 | -173.4 | 4.6 | 121.9 | H178 | R176-H178 VanDerWaalsContact CD-CD2 3.47Å; R176-H178 WeakPolarHBondContact CD-CD2 3.43Å; R176-H178 WeakPolarHBondContact CG-CD2 3.41Å; R176-H178 PolarHBondContact NE-NE2 3.4Å | ||
| 177 | G | 38.7 | Very low | 44 | Very low | 80 Ų | 80 | 128.8 Ų | 128.8 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -140 | 125.7 | 132.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 178 | H | 40.2 | Very low | 44.7 | Very low | 145 Ų | 145 | 125.3 Ų | 125.3 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | -100.2 | -174.6 | 175 | -67.1 | -95.7 | 0 | 0 | 0 | 110.4 | R176 | R176-H178 VanDerWaalsContact CD-CD2 3.47Å; R176-H178 WeakPolarHBondContact CD-CD2 3.43Å; R176-H178 WeakPolarHBondContact CG-CD2 3.41Å; R176-H178 PolarHBondContact NE-NE2 3.4Å | ||
| 179 | P | 57.2 | Low | 44.7 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | -125.8 | 160.1 | -87 | 35.6 | -16.5 | 0 | 0 | 0 | 112.6 | |||||
| 180 | G | 39.8 | Very low | 44.6 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -107.8 | 131 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 181 | T | 39.3 | Very low | 45.1 | Very low | 128 Ų | 128 | 123.6 Ų | 123.6 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -83.3 | 133.8 | -158.7 | 43.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 182 | S | 52.1 | Low | 45.3 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 26.1 | 134.3 | 135.9 | -38.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 183 | G | 43.8 | Very low | 45.4 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -132.2 | 124.1 | 143.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 184 | P | 49.2 | Very low | 45.3 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | trans | -83.5 | 163.3 | -166.7 | 32.5 | -34.9 | 0 | 0 | 0 | 114.9 | ||||
| 185 | P | 59.7 | Low | 45.3 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | trans | -90.4 | 161.7 | -171.6 | 36.5 | -34 | 0 | 0 | 0 | 113.3 | ||||
| 186 | G | 42.3 | Very low | 45.3 | Very low | 71 Ų | 71 | 130.9 Ų | 130.9 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | 164.6 | 167.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 187 | I | 41.4 | Very low | 44.8 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 82% | 0.821 | 82% | 0.817 | S | S | * | * | cis | -158.4 | 149.8 | -22.6 | -86.4 | 153 | 0 | 0 | 0 | 103.3 | ||||
| 188 | P | 59 | Low | 45.1 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -83.3 | 161.1 | -174.4 | -10.2 | 28.7 | 0 | 0 | 0 | 116.7 | ||||
| 189 | G | 44.9 | Very low | 45 | Very low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | trans | 129.9 | 144 | 157.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 190 | K | 38.2 | Very low | 44 | Very low | 206 Ų | 206 | 131.2 Ų | 131.2 | 90% | 0.896 | 83% | 0.832 | S | S | * | * | cis | -162.3 | 169.9 | 36.4 | -85.3 | -177.6 | 179.6 | 178.4 | 0 | 112.7 | ||||
| 191 | P | 54.9 | Low | 44.5 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | trans | -98.1 | 156.8 | -169.3 | 26.5 | -11.9 | 0 | 0 | 0 | 116.8 | ||||
| 192 | A | 47.5 | Very low | 44.3 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | trans | 53.1 | 134.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 193 | Q | 39.3 | Very low | 43.9 | Very low | 206 Ų | 206 | 139 Ų | 139 | 96% | 0.963 | 84% | 0.84 | S | S | * | * | trans | -142.4 | 142.4 | 151.3 | -140 | 174.7 | 20.9 | 0 | 0 | 110.8 | ||||
| 194 | K | 39.5 | Very low | 43.7 | Very low | 203 Ų | 203 | 139.5 Ų | 139.5 | 88% | 0.883 | 84% | 0.844 | S | S | * | * | trans | -110.9 | 138.9 | -168.5 | 171.2 | -169.9 | -176.3 | -175 | 0 | 110.5 | ||||
| 195 | G | 42.5 | Very low | 43.3 | Very low | 72 Ų | 72 | 136.8 Ų | 136.8 | 74% | 0.742 | 84% | 0.839 | S | S | * | * | trans | 53.4 | 156.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 196 | E | 38 | Very low | 42.2 | Very low | 199 Ų | 199 | 138.1 Ų | 138.1 | 93% | 0.93 | 85% | 0.845 | S | S | * | * | cis | -166.9 | 161.1 | 5.9 | -92.7 | -177.9 | 156.9 | 0 | 0 | 107.2 | ||||
| 197 | A | 32.8 | Very low | 41.9 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 88% | 0.876 | 84% | 0.842 | S | S | * | * | trans | 151 | 124.3 | 134.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 198 | G | 45 | Very low | 42 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 74% | 0.742 | 85% | 0.849 | S | S | * | * | trans | -101.2 | 168.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 199 | L | 37.7 | Very low | 40.9 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 93% | 0.927 | 86% | 0.856 | S | S | * | * | 174.3 | 140.1 | 119 | -91.2 | 172.4 | 0 | 0 | 0 | 112.9 | |||||
| 200 | K | 37.7 | Very low | 40.6 | Very low | 206 Ų | 206 | 144.4 Ų | 144.4 | 90% | 0.896 | 85% | 0.854 | S | S | * | * | trans | 71.3 | 127.1 | 150.6 | -143.1 | 172.5 | -176.4 | -177.8 | 0 | 120 | ||||
| 201 | G | 48.8 | Very low | 40.8 | Very low | 71 Ų | 71 | 139.9 Ų | 139.9 | 73% | 0.732 | 85% | 0.854 | S | S | * | * | trans | -111.9 | -171.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 202 | E | 35.1 | Very low | 40 | Very low | 210 Ų | 210 | 144.3 Ų | 144.3 | 98% | 0.981 | 86% | 0.861 | S | S | * | * | trans | -157.4 | 161.5 | 164.4 | -108.3 | 176.7 | -175.4 | 0 | 0 | 110.5 | ||||
| 203 | K | 45.1 | Very low | 39.5 | Very low | 212 Ų | 212 | 142.8 Ų | 142.8 | 92% | 0.922 | 86% | 0.856 | S | S | * | * | trans | -104.6 | 145.8 | -157.3 | -176.5 | -175.3 | -176.5 | -177.2 | 0 | 113.6 | ||||
| 204 | G | 39.7 | Very low | 39.4 | Very low | 81 Ų | 81 | 142.7 Ų | 142.7 | 84% | 0.835 | 86% | 0.856 | S | S | * | * | trans | 97.2 | 144.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 205 | G | 40.3 | Very low | 39.5 | Very low | 67 Ų | 67 | 142.4 Ų | 142.4 | 69% | 0.691 | 86% | 0.857 | S | S | * | * | cis | 176.9 | 167.2 | -2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 206 | V | 35.8 | Very low | 39.2 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 96% | 0.964 | 86% | 0.859 | S | S | * | * | trans | 68.2 | 134.1 | 169.8 | -164.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 207 | G | 37.4 | Very low | 39.4 | Very low | 65 Ų | 65 | 142.8 Ų | 142.8 | 67% | 0.67 | 86% | 0.861 | S | S | * | * | cis | -165 | 169.2 | 3.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 208 | F | 42.1 | Very low | 39.7 | Very low | 223 Ų | 223 | 147.7 Ų | 147.7 | 98% | 0.978 | 86% | 0.862 | S | S | * | * | trans | -88.5 | 130.6 | 176.2 | -77.2 | -86.5 | 0 | 0 | 0 | 111.2 | ||||
| 209 | Q | 36.1 | Very low | 39.3 | Very low | 207 Ų | 207 | 148 Ų | 148 | 97% | 0.967 | 87% | 0.865 | S | S | * | * | trans | -154.2 | 134.4 | 162.6 | -167.6 | 177.1 | 26.6 | 0 | 0 | 107.3 | ||||
| 210 | G | 39.9 | Very low | 39.5 | Very low | 68 Ų | 68 | 147.4 Ų | 147.4 | 70% | 0.701 | 86% | 0.862 | S | S | * | * | cis | -161.3 | 155.5 | -6.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 211 | A | 41.8 | Very low | 39.3 | Very low | 110 Ų | 110 | 147 Ų | 147 | 91% | 0.909 | 86% | 0.863 | S | S | * | * | trans | -72.2 | 135.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 212 | K | 37.6 | Very low | 38.7 | Very low | 212 Ų | 212 | 146.6 Ų | 146.6 | 92% | 0.922 | 86% | 0.859 | S | S | * | * | trans | -98.5 | 106.9 | 178.3 | -175.8 | 178.7 | 178.5 | -179 | 0 | 110.3 | ||||
| 213 | G | 37.6 | Very low | 39 | Very low | 73 Ų | 73 | 146 Ų | 146 | 75% | 0.753 | 86% | 0.856 | S | S | * | * | trans | 67.6 | 100.6 | 143 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 214 | E | 38 | Very low | 38.8 | Very low | 203 Ų | 203 | 144 Ų | 144 | 95% | 0.949 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 146 | 154.4 | -73.7 | -174 | 156.5 | 0 | 0 | 111.1 | ||
| 215 | Q | 40.3 | Very low | 38.8 | Very low | 197 Ų | 197 | 143.9 Ų | 143.9 | 92% | 0.921 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 139.8 | -175.4 | -177.7 | 172.6 | 3.3 | 0 | 0 | 111.1 | ||
| 216 | G | 37.2 | Very low | 38.5 | Very low | 76 Ų | 76 | 147.3 Ų | 147.3 | 78% | 0.784 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 152.8 | -163.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 217 | E | 41.7 | Very low | 38.8 | Very low | 204 Ų | 204 | 144.7 Ų | 144.7 | 95% | 0.953 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 149.6 | 177.8 | -66.6 | -179.1 | 131.5 | 0 | 0 | 113.7 | ||
| 218 | K | 39.5 | Very low | 38.8 | Very low | 209 Ų | 209 | 145.5 Ų | 145.5 | 91% | 0.909 | 87% | 0.865 | S | S | * | * | trans | -127 | 99.1 | 170.3 | -169.6 | -178 | -172.2 | -175.1 | 0 | 111 | ||||
| 219 | G | 36.3 | Very low | 39 | Very low | 77 Ų | 77 | 144.3 Ų | 144.3 | 79% | 0.794 | 86% | 0.863 | S | S | * | * | trans | 56.3 | 114.8 | 139.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 220 | D | 42.7 | Very low | 38.9 | Very low | 165 Ų | 165 | 144.6 Ų | 144.6 | 88% | 0.882 | 86% | 0.861 | S | S | * | * | trans | -83.4 | 141.4 | 170.8 | -70.7 | -41.5 | 0 | 0 | 0 | 115.4 | ||||
| 221 | H | 33.4 | Very low | 38.8 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 92% | 0.917 | 86% | 0.859 | S | S | * | * | trans | -170.8 | 139.7 | 137.2 | -125.9 | 63 | 0 | 0 | 0 | 109.6 | ||||
| 222 | G | 35.7 | Very low | 38.8 | Very low | 62 Ų | 62 | 148.3 Ų | 148.3 | 64% | 0.639 | 86% | 0.859 | S | S | * | * | cis | -156.8 | 166.9 | 6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 223 | Q | 41.2 | Very low | 39.9 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 93% | 0.925 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 132.5 | -174.7 | -69.4 | 167.3 | -21.6 | 0 | 0 | 113.1 | ||
| 224 | N | 40.2 | Very low | 40.4 | Very low | 170 Ų | 170 | 144.2 Ų | 144.2 | 91% | 0.909 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 127.1 | 153.9 | -96.2 | -11.8 | 0 | 0 | 0 | 108.9 | ||
| 225 | G | 39.2 | Very low | 40.8 | Very low | 79 Ų | 79 | 141 Ų | 141 | 81% | 0.814 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 148.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 226 | T | 35.6 | Very low | 41.2 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 85% | 0.853 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -76 | 142.1 | 173.3 | 44.1 | 0 | 0 | 0 | 0 | 113 | ||
| 227 | A | 41.3 | Very low | 41.6 | Very low | 104 Ų | 104 | 140 Ų | 140 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | trans | 58.1 | 121.4 | 145.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 228 | G | 37.2 | Very low | 41.7 | Very low | 81 Ų | 81 | 136.8 Ų | 136.8 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | trans | -138.9 | 104 | 141.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 229 | E | 46.5 | Very low | 42.1 | Very low | 198 Ų | 198 | 133.5 Ų | 133.5 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -88.5 | 126.5 | 159.8 | -77.5 | -171.8 | 142.5 | 0 | 0 | 108.6 | ||||
| 230 | K | 35.1 | Very low | 42.5 | Very low | 214 Ų | 214 | 132.8 Ų | 132.8 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | trans | 171 | 141.7 | 142.2 | -156.7 | 162.5 | -172.4 | 179 | 0 | 109.4 | ||||
| 231 | G | 35.9 | Very low | 42.7 | Very low | 64 Ų | 64 | 130.9 Ų | 130.9 | 66% | 0.66 | 82% | 0.824 | S | S | * | * | cis | -158.3 | 174.1 | 8.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 232 | E | 43.1 | Very low | 43.3 | Very low | 192 Ų | 192 | 127.3 Ų | 127.3 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 137.9 | 179.2 | -62.9 | 179.8 | 146.7 | 0 | 0 | 111.7 | ||
| 233 | P | 59.3 | Low | 43.7 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 84% | 0.844 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 132.7 | 167 | -20.2 | 32.5 | 0 | 0 | 0 | 110.9 | ||
| 234 | G | 49.7 | Very low | 43.6 | Very low | 69 Ų | 69 | 125.3 Ų | 125.3 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 153.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 235 | P | 46.6 | Very low | 43.5 | Very low | 136 Ų | 136 | 121.7 Ų | 121.7 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 157 | 179.1 | 28.5 | -33.4 | 0 | 0 | 0 | 113.4 | ||
| 236 | E | 48.7 | Very low | 43.4 | Very low | 192 Ų | 192 | 126.8 Ų | 126.8 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 143.5 | -169.5 | -162.7 | 174.2 | -166.6 | 0 | 0 | 115.3 | ||
| 237 | G | 44.8 | Very low | 43.5 | Very low | 60 Ų | 60 | 123.5 Ų | 123.5 | 62% | 0.619 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 146.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 238 | P | 44.3 | Very low | 43.3 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 149.9 | -174 | 27.8 | -34.1 | 0 | 0 | 0 | 114.4 | ||
| 239 | V | 47.5 | Very low | 43.4 | Very low | 140 Ų | 140 | 128 Ų | 128 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 132.3 | 179.9 | 172.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 240 | G | 45.1 | Very low | 43.5 | Very low | 62 Ų | 62 | 124.7 Ų | 124.7 | 64% | 0.639 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 141.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 241 | P | 45.3 | Very low | 43.5 | Very low | 125 Ų | 125 | 124.7 Ų | 124.7 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 161.5 | -177.8 | 29.1 | -33.5 | 0 | 0 | 0 | 114.3 | ||
| 242 | P | 47.1 | Very low | 43.5 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 140.7 | -164.5 | -9.8 | 26.5 | 0 | 0 | 0 | 113.9 | ||
| 243 | G | 44.4 | Very low | 43.2 | Very low | 86 Ų | 86 | 125 Ų | 125 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 120.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 244 | T | 38.8 | Very low | 42.2 | Very low | 132 Ų | 132 | 127 Ų | 127 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 155.2 | 173.6 | 42.6 | 0 | 0 | 0 | 0 | 113 | ||
| 245 | A | 37.7 | Very low | 41.9 | Very low | 95 Ų | 95 | 127.3 Ų | 127.3 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | 89.6 | 137.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 246 | M | 37.8 | Very low | 41.4 | Very low | 185 Ų | 185 | 127.4 Ų | 127.4 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | cis | -150.7 | 152.6 | 4 | -65.1 | -152.3 | -73.9 | 0 | 0 | 106.5 | ||||
| 247 | G | 37.8 | Very low | 41 | Very low | 70 Ų | 70 | 126.2 Ų | 126.2 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | 98.1 | 95.8 | 51.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 248 | Q | 36.1 | Very low | 40.7 | Very low | 205 Ų | 205 | 127 Ų | 127 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | trans | 175.4 | 118 | 144.4 | -101.4 | 173 | 6.5 | 0 | 0 | 115 | ||||
| 249 | G | 38.7 | Very low | 40.4 | Very low | 76 Ų | 76 | 126.1 Ų | 126.1 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | 83.8 | 149.1 | 120.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 250 | P | 48.8 | Very low | 39.8 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -123.4 | 166.8 | -142.5 | 39.6 | -23.7 | 0 | 0 | 0 | 118.1 | ||||
| 251 | K | 35 | Very low | 39.4 | Very low | 214 Ų | 214 | 126.5 Ų | 126.5 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | trans | 77.4 | 132.3 | 142.8 | -161.7 | 179 | -178.2 | -174.4 | 0 | 122.2 | ||||
| 252 | G | 37.8 | Very low | 38.9 | Very low | 67 Ų | 67 | 128.5 Ų | 128.5 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | 145.6 | 138.4 | 147.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 253 | E | 35.4 | Very low | 38.5 | Very low | 195 Ų | 195 | 132 Ų | 132 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | cis | -159.6 | 165 | -3.7 | -105.7 | -176.1 | 163.8 | 0 | 0 | 107.3 | ||||
| 254 | K | 39.8 | Very low | 38.3 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 76% | 0.757 | 81% | 0.806 | S | S | * | * | trans | -81 | 140 | 179.9 | -174.7 | -171.4 | -177.1 | -145 | 0 | 110.9 | D256 | K254-D256 VanDerWaalsContact CE-OD1 3.22Å; K254-D256 WeakPolarHBondContact CE-OD1 3.26Å; K254-D256 IonicContact NZ-OD1 2.67Å; K254-D256 PolarHBondContact NZ-OD1 3.33Å; K254-D256 VanDerWaalsContact NZ-OD1 3.1Å; K254-D256 IonicContact NZ-OD2 2.65Å | ||
| 255 | G | 43 | Very low | 38.5 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -136.3 | 130.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 256 | D | 35.5 | Very low | 38.4 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | -84.1 | 171 | -168.1 | -76.2 | -46 | 0 | 0 | 0 | 115.2 | K254 | K254-D256 VanDerWaalsContact CE-OD1 3.22Å; K254-D256 WeakPolarHBondContact CE-OD1 3.26Å; K254-D256 IonicContact NZ-OD1 2.67Å; K254-D256 PolarHBondContact NZ-OD1 3.33Å; K254-D256 VanDerWaalsContact NZ-OD1 3.1Å; K254-D256 IonicContact NZ-OD2 2.65Å | ||
| 257 | K | 40.6 | Very low | 38.6 | Very low | 168 Ų | 168 | 135.3 Ų | 135.3 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | trans | -45.9 | 151.1 | -171.3 | -152.5 | -175 | -167 | -145.7 | 0 | 119.6 | D259 | K257-D259 VanDerWaalsContact CE-OD1 3.26Å; K257-D259 WeakPolarHBondContact CE-OD1 3.34Å; K257-D259 WeakPolarHBondContact CE-OD2 3.37Å; K257-D259 IonicContact NZ-OD1 2.75Å; K257-D259 PolarHBondContact NZ-OD1 3.4Å; K257-D259 IonicContact NZ-OD2 3.01Å; K257-D259 PolarHBondContact NZ-OD2 3.32Å | ||
| 258 | G | 39.3 | Very low | 38.6 | Very low | 76 Ų | 76 | 138.3 Ų | 138.3 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | -147.9 | 113 | 151.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 259 | D | 37.7 | Very low | 38.9 | Very low | 117 Ų | 117 | 138 Ų | 138 | 63% | 0.626 | 81% | 0.805 | S | S | * | * | trans | -70.6 | 159 | 163.6 | -56.7 | -51 | 0 | 0 | 0 | 108.3 | K257 | K257-D259 VanDerWaalsContact CE-OD1 3.26Å; K257-D259 WeakPolarHBondContact CE-OD1 3.34Å; K257-D259 WeakPolarHBondContact CE-OD2 3.37Å; K257-D259 IonicContact NZ-OD1 2.75Å; K257-D259 PolarHBondContact NZ-OD1 3.4Å; K257-D259 IonicContact NZ-OD2 3.01Å; K257-D259 PolarHBondContact NZ-OD2 3.32Å | ||
| 260 | C | 33.7 | Very low | 39.2 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 91% | 0.905 | 80% | 0.803 | S | S | * | * | cis | -170.4 | 157.2 | 31.9 | -124 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 261 | G | 37.2 | Very low | 38.9 | Very low | 76 Ų | 76 | 139.6 Ų | 139.6 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | 177.8 | 126.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 262 | I | 34.1 | Very low | 39.2 | Very low | 166 Ų | 166 | 141 Ų | 141 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -88 | 152.8 | -154 | -69.8 | 167.9 | 0 | 0 | 0 | 115 | ||||
| 263 | F | 40.3 | Very low | 39.5 | Very low | 196 Ų | 196 | 141.1 Ų | 141.1 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -7.7 | 140 | 162 | -92.4 | -100.6 | 0 | 0 | 0 | 120.6 | ||||
| 264 | G | 38.3 | Very low | 39.8 | Very low | 77 Ų | 77 | 141.2 Ų | 141.2 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -149.2 | 117.2 | 150.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 265 | E | 44.7 | Very low | 40.1 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -75 | 168.6 | 174.8 | -76.9 | -171.2 | 136.2 | 0 | 0 | 113.9 | ||||
| 266 | R | 35.1 | Very low | 40.2 | Very low | 244 Ų | 244 | 139.4 Ų | 139.4 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | 112.2 | 117.7 | 157.5 | -160.4 | 179.6 | -66.8 | -171.8 | -0.3 | 112.1 | ||||
| 267 | G | 40.9 | Very low | 41 | Very low | 67 Ų | 67 | 137.4 Ų | 137.4 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | 93.6 | 149.8 | 56.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 268 | P | 38.6 | Very low | 41.8 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | cis | -132.9 | -173.8 | 16 | 37.8 | -16.3 | 0 | 0 | 0 | 114.7 | ||||
| 269 | K | 43.1 | Very low | 42.1 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 137 | 177.9 | -174.6 | 177.6 | -178.4 | 177.9 | 0 | 111.7 | ||
| 270 | G | 44.6 | Very low | 42.6 | Very low | 72 Ų | 72 | 138.5 Ų | 138.5 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 145.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 271 | D | 41.6 | Very low | 43.2 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 150.7 | -175.1 | -67.1 | -46.9 | 0 | 0 | 0 | 113.8 | ||
| 272 | R | 42.8 | Very low | 43.5 | Very low | 244 Ų | 244 | 140.9 Ų | 140.9 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 131.9 | 176.2 | -175.7 | 178.7 | -178.6 | 173.4 | 0.1 | 109.5 | ||
| 273 | G | 42.8 | Very low | 44 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 142 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 274 | E | 41.8 | Very low | 44.5 | Very low | 197 Ų | 197 | 137.6 Ų | 137.6 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 147.7 | -177.2 | -65.8 | -177 | 154.6 | 0 | 0 | 113 | ||
| 275 | T | 46.7 | Very low | 44.6 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 87% | 0.865 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 131.4 | 175.9 | -54.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 276 | G | 44.7 | Very low | 44.6 | Very low | 69 Ų | 69 | 136.5 Ų | 136.5 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 143.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 277 | A | 51.7 | Low | 45.4 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 147.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 278 | P | 58.2 | Low | 45.3 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 146.4 | 172.9 | -17.5 | 30 | 0 | 0 | 0 | 112.4 | ||
| 279 | G | 45.8 | Very low | 45.6 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -62 | 138.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 280 | I | 47.2 | Very low | 45.4 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 91% | 0.908 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 135.4 | 178.6 | 37.3 | 171.1 | 0 | 0 | 0 | 113.1 | ||
| 281 | Q | 46.8 | Very low | 45.2 | Very low | 190 Ų | 190 | 133.2 Ų | 133.2 | 89% | 0.888 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 135.7 | 174.6 | -177 | 175.2 | -26.3 | 0 | 0 | 110.9 | ||
| 282 | G | 44.3 | Very low | 45.3 | Very low | 71 Ų | 71 | 134.2 Ų | 134.2 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 141.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 283 | A | 45.2 | Very low | 45.1 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 141 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 284 | M | 49.7 | Very low | 44.9 | Very low | 184 Ų | 184 | 132.1 Ų | 132.1 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 141.2 | 171.8 | -176.8 | 168.7 | 55.3 | 0 | 0 | 110.4 | ||
| 285 | G | 40.8 | Very low | 44.9 | Very low | 67 Ų | 67 | 129.3 Ų | 129.3 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 151.5 | -173 | 0 | 0 | 0 | 0 | 0 | 115.3 | P287 | G285-P287 WeakPolarHBondContact O-CD 3.38Š|
| 286 | I | 45.3 | Very low | 44.9 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 86% | 0.862 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 128 | -171.6 | -55 | 166.5 | 0 | 0 | 0 | 111.7 | ||
| 287 | P | 50 | Low | 44.7 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 145.6 | 160.4 | -12 | 30.1 | 0 | 0 | 0 | 112.5 | G285 | G285-P287 WeakPolarHBondContact O-CD 3.38Š|
| 288 | G | 39.7 | Very low | 44.9 | Very low | 82 Ų | 82 | 130.2 Ų | 130.2 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 163.8 | -161.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 289 | L | 45.9 | Very low | 44.3 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 90% | 0.895 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 136.1 | -176.2 | -75.5 | 149.3 | 0 | 0 | 0 | 114.8 | ||
| 290 | H | 38.6 | Very low | 44.3 | Very low | 201 Ų | 201 | 130.8 Ų | 130.8 | 93% | 0.931 | 83% | 0.829 | S | S | * | * | trans | -180 | 147.3 | 137.6 | -107.4 | 70.1 | 0 | 0 | 0 | 108.4 | ||||
| 291 | G | 40.9 | Very low | 44.1 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | cis | -159.1 | 169.3 | 2.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 292 | K | 42.1 | Very low | 43.9 | Very low | 188 Ų | 188 | 132.8 Ų | 132.8 | 82% | 0.817 | 83% | 0.827 | S | S | * | * | trans | -85.3 | 165.6 | -170.8 | -66.3 | 178.5 | 176.2 | 179.4 | 0 | 113.5 | ||||
| 293 | H | 39.5 | Very low | 43.9 | Very low | 193 Ų | 193 | 132.7 Ų | 132.7 | 89% | 0.894 | 83% | 0.826 | S | S | * | * | trans | 101.4 | 131.5 | 163.6 | -54.5 | -63.7 | 0 | 0 | 0 | 115.5 | ||||
| 294 | G | 37.7 | Very low | 43.9 | Very low | 76 Ų | 76 | 134.7 Ų | 134.7 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | cis | -160.4 | 170.5 | 3.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 295 | T | 42.1 | Very low | 43.8 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | trans | -94.4 | 172.7 | 164.2 | 53.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 296 | P | 47.9 | Very low | 43.8 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | cis | -138.3 | -178.3 | -4.6 | 34.1 | -12.2 | 0 | 0 | 0 | 115.1 | ||||
| 297 | G | 40.3 | Very low | 44.1 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | trans | 159.6 | 125.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 298 | P | 54.4 | Low | 44 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | trans | -97.3 | 156.1 | -163.9 | 37.4 | -34.3 | 0 | 0 | 0 | 116.8 | ||||
| 299 | V | 47.2 | Very low | 44.1 | Very low | 146 Ų | 146 | 133 Ų | 133 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | 40.8 | 128.2 | 151.1 | -172.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 300 | G | 44.3 | Very low | 44.7 | Very low | 74 Ų | 74 | 131.2 Ų | 131.2 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | -173.2 | 138.5 | 155.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 301 | I | 42.9 | Very low | 45.2 | Very low | 166 Ų | 166 | 127.8 Ų | 127.8 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -101.2 | 144.4 | -162.2 | 1.4 | 174.1 | 0 | 0 | 0 | 112 | ||||
| 302 | R | 43.8 | Very low | 45.3 | Very low | 243 Ų | 243 | 127.6 Ų | 127.6 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | 33.6 | 131.1 | 150.8 | -162.4 | 178.7 | -168.4 | -176.4 | 3.6 | 121.2 | ||||
| 303 | G | 43.2 | Very low | 45.8 | Very low | 69 Ų | 69 | 128.3 Ų | 128.3 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | 161.7 | 105.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 304 | D | 45.2 | Very low | 46.3 | Very low | 150 Ų | 150 | 125 Ų | 125 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -58.3 | 166.5 | 160.1 | -51.9 | -58.2 | 0 | 0 | 0 | 109.8 | ||||
| 305 | P | 48.1 | Very low | 46.7 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | cis | -152.6 | -175.3 | 26.9 | 36.4 | -11.6 | 0 | 0 | 0 | 116.8 | ||||
| 306 | G | 40.7 | Very low | 47.2 | Very low | 67 Ų | 67 | 125.3 Ų | 125.3 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | 137.6 | 96.6 | 144.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 307 | H | 51.6 | Low | 47.4 | Very low | 195 Ų | 195 | 124.4 Ų | 124.4 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | trans | -72.6 | 136 | 168.1 | -55.9 | -74.6 | 0 | 0 | 0 | 111.3 | ||||
| 308 | P | 48.2 | Very low | 48.1 | Very low | 129 Ų | 129 | 124 Ų | 124 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | -152 | 156 | 121.6 | 27.3 | -7.2 | 0 | 0 | 0 | 112.5 | |||||
| 309 | G | 42.3 | Very low | 48.3 | Very low | 60 Ų | 60 | 124.4 Ų | 124.4 | 62% | 0.619 | 80% | 0.804 | S | S | * | * | cis | -173.2 | 162 | -0.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 310 | P | 57.2 | Low | 48.7 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -84.3 | 129 | -170.1 | 33.9 | -30.8 | 0 | 0 | 0 | 110.1 | ||||
| 311 | P | 49.3 | Very low | 49.4 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | -156.8 | 156.1 | 120.8 | 31.2 | -11 | 0 | 0 | 0 | 113.1 | |||||
| 312 | G | 44 | Very low | 50 | Low | 64 Ų | 64 | 124.1 Ų | 124.1 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | cis | -164.6 | 161.6 | -1.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | P314 | G312-P314 VanDerWaalsContact O-CD 3.23Å; G312-P314 WeakPolarHBondContact O-CD 3.35Å | ||
| 313 | E | 51.7 | Low | 50.6 | Low | 203 Ų | 203 | 121.3 Ų | 121.3 | 95% | 0.949 | 79% | 0.794 | S | S | * | * | trans | -79.1 | 130.5 | -176.3 | -65.8 | -179 | 161.5 | 0 | 0 | 112.1 | ||||
| 314 | P | 50.7 | Low | 51.2 | Low | 123 Ų | 123 | 121.2 Ų | 121.2 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -122.3 | 123.3 | 158.6 | 4.9 | 19.8 | 0 | 0 | 0 | 112.1 | G312 | G312-P314 VanDerWaalsContact O-CD 3.23Å; G312-P314 WeakPolarHBondContact O-CD 3.35Å | ||
| 315 | G | 46.8 | Very low | 51.6 | Low | 70 Ų | 70 | 122.2 Ų | 122.2 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | 80.7 | 97.4 | 144.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | S317 | G315-S317 PolarHBondContact O-N 2.89Š| ||
| 316 | V | 51.2 | Low | 52 | Low | 151 Ų | 151 | 126.9 Ų | 126.9 | 92% | 0.915 | 80% | 0.797 | S | S | * | * | trans | -61.5 | 106.4 | 166.7 | -159.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 317 | S | 51.9 | Low | 52.7 | Low | 111 Ų | 111 | 126.8 Ų | 126.8 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 128.9 | 164.5 | -68.3 | 0 | 0 | 0 | 0 | 108.4 | G315 | G315-S317 PolarHBondContact O-N 2.89Š|
| 318 | G | 55.8 | Low | 52.8 | Low | 62 Ų | 62 | 125.9 Ų | 125.9 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 147.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q320 | G318-Q320 PolarHBondContact O-N 3.09Š|
| 319 | P | 57.8 | Low | 53.6 | Low | 132 Ų | 132 | 125.6 Ų | 125.6 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 126.7 | -175.5 | 23.8 | -32.5 | 0 | 0 | 0 | 110.3 | G321 | P319-G321 PolarHBondContact O-N 3.38Š|
| 320 | Q | 57.2 | Low | 54.7 | Low | 188 Ų | 188 | 125.8 Ų | 125.8 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 127.4 | 167 | -174.9 | 175.1 | -1.3 | 0 | 0 | 108.3 | G318 | G318-Q320 PolarHBondContact O-N 3.09Š|
| 321 | G | 58.2 | Low | 55 | Low | 59 Ų | 59 | 125.6 Ų | 125.6 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 143 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P319 Q323 | P319-G321 PolarHBondContact O-N 3.38Å; G321-Q323 PolarHBondContact O-N 2.81Å |
| 322 | P | 55.6 | Low | 55.7 | Low | 132 Ų | 132 | 128.9 Ų | 128.9 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 128.1 | -173.1 | 21.9 | -32 | 0 | 0 | 0 | 110.3 | G324 | P322-G324 PolarHBondContact O-N 3.46Š|
| 323 | Q | 56.2 | Low | 56.5 | Low | 185 Ų | 185 | 129 Ų | 129 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 122.6 | 174.4 | -170 | 176.6 | -1 | 0 | 0 | 108.5 | G321 I325 | G321-Q323 PolarHBondContact O-N 2.81Å; Q323-I325 PolarHBondContact O-N 3.46Å |
| 324 | G | 54.8 | Low | 57.1 | Low | 67 Ų | 67 | 127 Ų | 127 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 126.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | P322 R326 | P322-G324 PolarHBondContact O-N 3.46Å; G324-R326 PolarHBondContact O-N 3.45Å |
| 325 | I | 53.9 | Low | 57.6 | Low | 171 Ų | 171 | 132.6 Ų | 132.6 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -59.4 | 112.7 | -176.9 | -32.7 | 173.1 | 0 | 0 | 0 | 107.5 | Q323 G327 | Q323-I325 PolarHBondContact O-N 3.46Å; I325-G327 PolarHBondContact O-N 3.19Å; I325-G327 VanDerWaalsContact O-N 3.11Å | ||
| 326 | R | 56.7 | Low | 58.1 | Low | 234 Ų | 234 | 132.4 Ų | 132.4 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 116.9 | 172.6 | -174.3 | 175.8 | -177.5 | 176.9 | 1 | 107 | G324 M328 | G324-R326 PolarHBondContact O-N 3.45Å; R326-M328 PolarHBondContact O-N 2.86Å |
| 327 | G | 55.8 | Low | 58.6 | Low | 65 Ų | 65 | 135.9 Ų | 135.9 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 128.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I325 | I325-G327 PolarHBondContact O-N 3.19Å; I325-G327 VanDerWaalsContact O-N 3.11Å |
| 328 | M | 54 | Low | 59.2 | Low | 176 Ų | 176 | 136.1 Ų | 136.1 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 133.1 | 178.8 | -74.4 | -176.2 | 57.9 | 0 | 0 | 109.4 | R326 G330 | R326-M328 PolarHBondContact O-N 2.86Å; M328-G330 PolarHBondContact O-N 2.86Å |
| 329 | P | 65.5 | Low | 59.2 | Low | 123 Ų | 123 | 136.8 Ų | 136.8 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 129.4 | 169.2 | -23.4 | 33 | 0 | 0 | 0 | 109.2 | ||
| 330 | G | 64.8 | Low | 59.4 | Low | 63 Ų | 63 | 137.5 Ų | 137.5 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 143.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | M328 K332 | M328-G330 PolarHBondContact O-N 2.86Å; G330-K332 PolarHBondContact O-N 2.85Å |
| 331 | P | 62.7 | Low | 59.7 | Low | 129 Ų | 129 | 139.7 Ų | 139.7 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 130.5 | -178.2 | 22.9 | -32.2 | 0 | 0 | 0 | 109.5 | G333 | P331-G333 PolarHBondContact O-N 2.67Å; P331-G333 VanDerWaalsContact O-N 3.14Å |
| 332 | K | 64.6 | Low | 59.7 | Low | 198 Ų | 198 | 140.1 Ų | 140.1 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 119.1 | 176.2 | -174.7 | 177.6 | -177.9 | 177.7 | 0 | 107.5 | G330 D334 | G330-K332 PolarHBondContact O-N 2.85Å; K332-D334 PolarHBondContact O-N 2.81Å |
| 333 | G | 61.7 | Low | 60.2 | Low | 66 Ų | 66 | 142 Ų | 142 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 134.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P331 R335 | P331-G333 PolarHBondContact O-N 2.67Å; P331-G333 VanDerWaalsContact O-N 3.14Å; G333-R335 PolarHBondContact O-N 3.16Å |
| 334 | D | 62.6 | Low | 60.7 | Low | 161 Ų | 161 | 144.7 Ų | 144.7 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 135 | -177.6 | -69.4 | -41.4 | 0 | 0 | 0 | 110.6 | K332 G336 | K332-D334 PolarHBondContact O-N 2.81Å; D334-G336 PolarHBondContact O-N 3.41Å; D334-G336 VanDerWaalsContact O-N 3.14Å |
| 335 | R | 61.5 | Low | 60.9 | Low | 242 Ų | 242 | 144.5 Ų | 144.5 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 119 | 177.5 | -170.1 | 177.5 | -173.8 | 172 | 1.5 | 107.7 | G333 Y337 | G333-R335 PolarHBondContact O-N 3.16Å; R335-Y337 PolarHBondContact O-N 2.93Å |
| 336 | G | 57.3 | Low | 61.4 | Low | 65 Ų | 65 | 145.5 Ų | 145.5 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 135.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D334 | D334-G336 PolarHBondContact O-N 3.41Å; D334-G336 VanDerWaalsContact O-N 3.14Å |
| 337 | Y | 61.8 | Low | 61.8 | Low | 224 Ų | 224 | 145.9 Ų | 145.9 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 138.8 | -177.3 | -68.6 | -80.7 | 0 | 0 | 0 | 111 | R335 G339 | R335-Y337 PolarHBondContact O-N 2.93Å; Y337-G339 PolarHBondContact O-N 2.88Å |
| 338 | P | 64.1 | Low | 61.9 | Low | 117 Ų | 117 | 145.8 Ų | 145.8 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 129.7 | 172.9 | -22.1 | 31.7 | 0 | 0 | 0 | 109.8 | V340 | P338-V340 PolarHBondContact O-N 2.98Š|
| 339 | G | 55.6 | Low | 62.5 | Low | 76 Ų | 76 | 145.7 Ų | 145.7 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 128.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y337 R341 | Y337-G339 PolarHBondContact O-N 2.88Å; G339-R341 PolarHBondContact O-N 3.11Å; G339-R341 VanDerWaalsContact O-N 3.13Å |
| 340 | V | 63.5 | Low | 62.6 | Low | 146 Ų | 146 | 149.5 Ų | 149.5 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 120.5 | 180 | -170.1 | 0 | 0 | 0 | 0 | 107.7 | P338 G342 | P338-V340 PolarHBondContact O-N 2.98Å; V340-G342 PolarHBondContact O-N 2.86Å |
| 341 | R | 63.5 | Low | 62.4 | Low | 235 Ų | 235 | 149.5 Ų | 149.5 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 116.9 | 176.9 | -171.3 | -179.4 | -158.1 | 174 | 7.2 | 107.4 | G339 E343 | G339-R341 PolarHBondContact O-N 3.11Å; G339-R341 VanDerWaalsContact O-N 3.13Å; R341-E343 PolarHBondContact O-N 2.9Å |
| 342 | G | 58 | Low | 62.4 | Low | 68 Ų | 68 | 147.9 Ų | 147.9 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 131.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V340 R344 | V340-G342 PolarHBondContact O-N 2.86Å; G342-R344 PolarHBondContact O-N 2.93Å |
| 343 | E | 66.3 | Low | 62.4 | Low | 172 Ų | 172 | 148.3 Ų | 148.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 135 | -179.9 | -67.8 | -172.7 | 162.5 | 0 | 0 | 109.3 | R341 G345 | R341-E343 PolarHBondContact O-N 2.9Å; E343-G345 PolarHBondContact O-N 2.92Å |
| 344 | R | 66.5 | Low | 62.3 | Low | 240 Ų | 240 | 148.7 Ų | 148.7 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | -56.6 | 115.9 | 174.9 | -175.5 | -171.4 | -61.9 | -165.1 | 1.1 | 106.5 | G342 F346 | G342-R344 PolarHBondContact O-N 2.93Å; R344-F346 PolarHBondContact O-N 3.25Å | ||
| 345 | G | 57.7 | Low | 62.1 | Low | 64 Ų | 64 | 146.9 Ų | 146.9 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 134.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | E343 R347 | E343-G345 PolarHBondContact O-N 2.92Å; G345-R347 PolarHBondContact O-N 3.39Å |
| 346 | F | 65.2 | Low | 62.1 | Low | 191 Ų | 191 | 138.9 Ų | 138.9 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 131.2 | -179.6 | -68.5 | -82 | 0 | 0 | 0 | 109.1 | R344 G348 | R344-F346 PolarHBondContact O-N 3.25Å; F346-G348 PolarHBondContact O-N 2.98Å |
| 347 | R | 65.8 | Low | 62.2 | Low | 243 Ų | 243 | 144.5 Ų | 144.5 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 121 | 168.3 | 177.8 | -177.5 | -82 | -150.3 | -2.9 | 105.8 | G345 L349 | G345-R347 PolarHBondContact O-N 3.39Å; R347-L349 PolarHBondContact O-N 3.1Å |
| 348 | G | 57.9 | Low | 62.6 | Low | 63 Ų | 63 | 141.7 Ų | 141.7 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | trans | -45.9 | 133.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | F346 K350 | F346-G348 PolarHBondContact O-N 2.98Å; G348-K350 PolarHBondContact O-N 3.12Å; G348-K350 VanDerWaalsContact O-N 3.16Å | ||
| 349 | L | 66.4 | Low | 63.3 | Low | 173 Ų | 173 | 142.7 Ų | 142.7 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 128.3 | 176.4 | -74.7 | 163 | 0 | 0 | 0 | 107.6 | R347 G351 | R347-L349 PolarHBondContact O-N 3.1Å; L349-G351 PolarHBondContact O-N 3.15Å |
| 350 | K | 67 | Low | 65 | Low | 204 Ų | 204 | 143.6 Ų | 143.6 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 120.3 | 170.6 | -178 | 177.4 | -178.5 | 176.9 | 0 | 105.7 | G348 A352 | G348-K350 PolarHBondContact O-N 3.12Å; G348-K350 VanDerWaalsContact O-N 3.16Å; K350-A352 PolarHBondContact O-N 3.4Å |
| 351 | G | 60.1 | Low | 66.5 | Low | 62 Ų | 62 | 143.4 Ų | 143.4 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 137.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | L349 K353 | L349-G351 PolarHBondContact O-N 3.15Å; G351-K353 PolarHBondContact O-N 3.22Å |
| 352 | A | 62.9 | Low | 68.1 | Low | 96 Ų | 96 | 132.3 Ų | 132.3 | 79% | 0.793 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 137.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | K350 G354 | K350-A352 PolarHBondContact O-N 3.4Å; A352-G354 PolarHBondContact O-N 3.01Å |
| 353 | K | 64.4 | Low | 70 | Confident | 207 Ų | 207 | 130.2 Ų | 130.2 | 90% | 0.9 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 118.4 | 166.9 | -93.6 | -176.9 | 175.3 | 179 | 0 | 105.6 | G351 S355 | G351-K353 PolarHBondContact O-N 3.22Å; K353-S355 PolarHBondContact O-N 3.3Å |
| 354 | G | 59.9 | Low | 71.5 | Confident | 74 Ų | 74 | 122.2 Ų | 122.2 | 76% | 0.763 | 67% | 0.669 | S | S | * | * | trans | -46 | 129.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | A352 G356 | A352-G354 PolarHBondContact O-N 3.01Å; G354-G356 PolarHBondContact O-N 3.18Å | ||
| 355 | S | 57.8 | Low | 73.1 | Confident | 123 Ų | 123 | 112 Ų | 112 | 86% | 0.86 | 64% | 0.635 | S | S | * | * | trans | -61.6 | 105.3 | 176.6 | 52.5 | 0 | 0 | 0 | 0 | 108.8 | K353 M357 | K353-S355 PolarHBondContact O-N 3.3Å; S355-M357 PolarHBondContact O-N 3.22Å | ||
| 356 | G | 62.4 | Low | 75 | Confident | 73 Ų | 73 | 109 Ų | 109 | 75% | 0.753 | 60% | 0.604 | S | S | * | * | trans | 23.4 | 75.6 | 158 | 0 | 0 | 0 | 0 | 0 | 118.3 | G354 | G354-G356 PolarHBondContact O-N 3.18Š| ||
| 357 | M | 60.3 | Low | 76.5 | Confident | 184 Ų | 184 | 99.9 Ų | 99.9 | 91% | 0.906 | 56% | 0.564 | S | S | * | * | -72.3 | 124.7 | 128 | -68.2 | -163.7 | -169.7 | 0 | 0 | 105.3 | S355 Q359 | S355-M357 PolarHBondContact O-N 3.22Å; M357-Q359 VanDerWaalsContact C-N 3.27Å; M357-Q359 PolarHBondContact O-N 2.87Å | |||
| 358 | L | 69.6 | Low | 77.9 | Confident | 165 Ų | 165 | 88.4 Ų | 88.4 | 86% | 0.864 | 52% | 0.521 | S | S | * | . | trans | -59.3 | 98.6 | 172.4 | -170 | 78.6 | 0 | 0 | 0 | 106.6 | K360 | L358-K360 PolarHBondContact O-N 2.65Š| ||
| 359 | Q | 78.6 | Confident | 79.6 | Confident | 137 Ų | 137 | 86.7 Ų | 86.7 | 64% | 0.64 | 50% | 0.499 | S | S | * | . | trans | -66.6 | 104.3 | -179.8 | -171.9 | 176.8 | 31.5 | 0 | 0 | 106.2 | M357 R361 | M357-Q359 VanDerWaalsContact C-N 3.27Å; M357-Q359 PolarHBondContact O-N 2.87Å; Q359-R361 HydrophobicContact CG-CG 4.3Å; Q359-R361 PolarHBondContact O-N 3.21Å; Q359-R361 VanDerWaalsContact O-N 3.1Å | ||
| 360 | K | 90.7 | Very high | 80.3 | Confident | 96 Ų | 96 | 81.1 Ų | 81.1 | 42% | 0.417 | 47% | 0.473 | S | S | . | . | trans | -60 | 115.8 | 171.6 | -70.3 | 177.9 | -176.8 | 171.1 | 0 | 106.7 | L358 L487 | L358-K360 PolarHBondContact O-N 2.65Å; K360-L487 HydrophobicContact CB-CD2 4.02Å | ||
| 361 | R | 94.9 | Very high | 80.8 | Confident | 141 Ų | 141 | 81 Ų | 81 | 53% | 0.532 | 47% | 0.472 | S | S | . | . | trans | -112.4 | 141.7 | 176.2 | -65.3 | 178.7 | -177.5 | 161.6 | 2.5 | 108.3 | Q359 E391 H405 | Q359-R361 HydrophobicContact CG-CG 4.3Å; Q359-R361 PolarHBondContact O-N 3.21Å; Q359-R361 VanDerWaalsContact O-N 3.1Å; R361-E391 HydrophobicContact CB-CG 4.23Å; R361-E391 WeakPolarHBondContact CB-OE1 3.18Å; R361-H405 PolarHBondContact O-CD2 3.2Å | ||
| 362 | S | 97.6 | Very high | 82 | Confident | 3 Ų | 3 | 81.8 Ų | 81.8 | 2% | 0.021 | 46% | 0.458 | C | S | . | . | trans | -164.8 | 95.5 | 175.8 | 172 | 0 | 0 | 0 | 0 | 105.7 | H393 F401 Y409 F486 L487 | S362-H393 VanDerWaalsContact CB-ND1 3.33Å; S362-H393 WeakPolarHBondContact CB-ND1 3.25Å; S362-H393 PolarHBondContact OG-ND1 3.27Å; S362-F401 WeakPolarHBondContact OG-CZ 3.37Å; S362-Y409 WeakPolarHBondContact OG-CE1 3.33Å; S362-Y409 PolarHBondContact OG-OH 2.83Å; S362-F486 CarbonylContact O-C 3.57Å; S362-F486 WeakPolarHBondContact O-CA 3.31Å; S362-L487 PolarHBondContact O-N 3.02Å | ||
| 363 | A | 98.2 | Very high | 83.2 | Confident | 23 Ų | 23 | 78.4 Ų | 78.4 | 19% | 0.19 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 155 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y388 E391 G485 F486 | A363-Y388 HydrophobicContact CB-CD1 4.06Å; A363-Y388 HydrophobicContact CB-CE1 3.74Å; A363-Y388 WeakPolarHBondContact O-CD1 3.47Å; A363-Y388 WeakPolarHBondContact O-CE1 3.17Å; A363-E391 PolarHBondContact N-OE2 3.13Å; A363-E391 VanDerWaalsContact N-OE2 3.12Å; A363-G485 CarbonylContact C-O 3.49Å; A363-G485 VanDerWaalsContact CA-O 3.23Å; A363-G485 WeakPolarHBondContact CA-O 3.26Å; A363-F486 HydrophobicContact CB-CB 3.59Å |
| 364 | F | 98.6 | Very high | 84.3 | Confident | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.018 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 155 | 169.7 | 70.6 | -84 | 0 | 0 | 0 | 109.9 | V366 Y388 F394 F401 F411 F483 S484 G485 | F364-V366 HydrophobicContact CD2-CG1 4.31Å; F364-V366 HydrophobicContact CD2-CG2 4.05Å; F364-V366 HydrophobicContact CE2-CG2 4.26Å; F364-Y388 CarbonylContact C-O 3.48Å; F364-Y388 VanDerWaalsContact CA-O 3.24Å; F364-Y388 WeakPolarHBondContact CA-O 3.1Å; F364-F394 HydrophobicContact CB-CB 3.69Å; F364-F394 HydrophobicContact CB-CD2 4.49Å; F364-F394 HydrophobicContact CB-CG 4.4Å; F364-F394 HydrophobicContact CD1-CB 4.3Å; F364-F394 HydrophobicContact CD1-CD2 4.17Å; F364-F394 HydrophobicContact CD2-CB 4.13Å; F364-F394 AromaticContact CD2-CD2 3.31Å; F364-F394 HydrophobicContact CD2-CD2 3.31Å; F364-F394 AromaticContact CD2-CE2 3.97Å; F364-F394 HydrophobicContact CD2-CE2 3.97Å; F364-F394 AromaticContact CD2-CG 3.94Å; F364-F394 HydrophobicContact CD2-CG 3.94Å; F364-F394 HydrophobicContact CE1-CD2 4.23Å; F364-F394 AromaticContact CE2-CD2 3.4Å; F364-F394 HydrophobicContact CE2-CD2 3.4Å; F364-F394 AromaticContact CE2-CE2 3.69Å; F364-F394 HydrophobicContact CE2-CE2 3.69Å; F364-F394 HydrophobicContact CE2-CG 4.44Å; F364-F394 HydrophobicContact CG-CB 3.77Å; F364-F394 AromaticContact CG-CD2 3.72Å; F364-F394 HydrophobicContact CG-CD2 3.72Å; F364-F394 HydrophobicContact CG-CG 4.1Å; F364-F394 AromaticContact CZ-CD2 3.87Å; F364-F394 HydrophobicContact CZ-CD2 3.87Å; F364-F394 HydrophobicContact CZ-CE2 4.26Å; F364-F401 HydrophobicContact CD1-CB 4.17Å; F364-F401 AromaticContact CD1-CD2 3.31Å; F364-F401 HydrophobicContact CD1-CD2 3.31Å; F364-F401 AromaticContact CD1-CE2 3.91Å; F364-F401 HydrophobicContact CD1-CE2 3.91Å; F364-F401 AromaticContact CD1-CG 3.91Å; F364-F401 HydrophobicContact CD1-CG 3.91Å; F364-F401 HydrophobicContact CE1-CB 3.59Å; F364-F401 HydrophobicContact CE1-CD1 4.29Å; F364-F401 AromaticContact CE1-CD2 3.39Å; F364-F401 HydrophobicContact CE1-CD2 3.39Å; F364-F401 HydrophobicContact CE1-CE2 4.13Å; F364-F401 AromaticContact CE1-CG 3.48Å; F364-F401 HydrophobicContact CE1-CG 3.48Å; F364-F401 VanDerWaalsContact CE1-CG 3.48Å; F364-F401 HydrophobicContact CG-CD2 4.4Å; F364-F401 HydrophobicContact CZ-CB 4Å; F364-F401 HydrophobicContact CZ-CG 4.34Å; F364-F411 HydrophobicContact CE1-CD1 4.25Å; F364-F411 AromaticContact CE1-CE1 3.8Å; F364-F411 HydrophobicContact CE1-CE1 3.8Å; F364-F411 HydrophobicContact CZ-CD1 4.04Å; F364-F411 AromaticContact CZ-CE1 3.96Å; F364-F411 HydrophobicContact CZ-CE1 3.96Å; F364-F483 AromaticContact CE2-CD1 3.61Å; F364-F483 HydrophobicContact CE2-CD1 3.61Å; F364-F483 HydrophobicContact CE2-CD2 4.41Å; F364-F483 AromaticContact CE2-CE1 3.62Å; F364-F483 HydrophobicContact CE2-CE1 3.62Å; F364-F483 HydrophobicContact CE2-CE2 4.42Å; F364-F483 HydrophobicContact CE2-CG 4.02Å; F364-F483 HydrophobicContact CE2-CZ 4.04Å; F364-F483 HydrophobicContact CZ-CD1 4.04Å; F364-F483 AromaticContact CZ-CE1 3.56Å; F364-F483 HydrophobicContact CZ-CE1 3.56Å; F364-F483 HydrophobicContact CZ-CE2 4.11Å; F364-F483 AromaticContact CZ-CZ 3.6Å; F364-F483 HydrophobicContact CZ-CZ 3.6Å; F364-S484 VanDerWaalsContact O-CA 3.3Å; F364-S484 WeakPolarHBondContact O-CA 3.37Å; F364-G485 PolarHBondContact N-O 3.11Å; F364-G485 PolarHBondContact O-N 3.26Å |
| 365 | S | 98.4 | Very high | 85.5 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 19% | 0.189 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 116.6 | 169.5 | -171.1 | 0 | 0 | 0 | 0 | 107.4 | F387 Y388 S484 | S365-F387 WeakPolarHBondContact O-CA 3.33Å; S365-F387 WeakPolarHBondContact O-CB 3.4Å; S365-F387 PolarHBondContact O-N 2.85Å; S365-Y388 PolarHBondContact N-O 2.92Å; S365-Y388 PolarHBondContact O-N 2.89Å; S365-S484 PolarHBondContact OG-OG 3.36Å |
| 366 | V | 98.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 150.7 | -172.9 | -62.9 | 0 | 0 | 0 | 0 | 109.7 | F364 F383 K385 F394 M396 I482 F483 | F364-V366 HydrophobicContact CD2-CG1 4.31Å; F364-V366 HydrophobicContact CD2-CG2 4.05Å; F364-V366 HydrophobicContact CE2-CG2 4.26Å; V366-F383 HydrophobicContact CB-CB 3.71Å; V366-F383 HydrophobicContact CB-CG 4.45Å; V366-F383 HydrophobicContact CG2-CB 3.38Å; V366-F383 HydrophobicContact CG2-CD1 4.22Å; V366-F383 HydrophobicContact CG2-CD2 4.16Å; V366-F383 HydrophobicContact CG2-CG 3.69Å; V366-K385 CarbonylContact C-O 3.57Å; V366-K385 VanDerWaalsContact CA-O 3.28Å; V366-K385 WeakPolarHBondContact CA-O 3.48Å; V366-F394 HydrophobicContact CG1-CD1 4.16Å; V366-F394 HydrophobicContact CG1-CE1 4.36Å; V366-F394 HydrophobicContact CG1-CG 4.32Å; V366-F394 HydrophobicContact CG2-CD2 4.39Å; V366-F394 HydrophobicContact CG2-CE1 4.22Å; V366-F394 HydrophobicContact CG2-CE2 3.94Å; V366-F394 HydrophobicContact CG2-CZ 3.84Å; V366-M396 HydrophobicContact CG1-CE 3.79Å; V366-I482 CarbonylContact O-C 3.59Å; V366-I482 WeakPolarHBondContact O-CA 3.36Å; V366-I482 WeakPolarHBondContact O-CG2 3.28Å; V366-F483 HydrophobicContact CG2-CB 4.29Å; V366-F483 HydrophobicContact CG2-CD1 4.45Å; V366-F483 WeakPolarHBondContact CG2-O 3.47Å; V366-F483 PolarHBondContact N-O 2.75Å; V366-F483 PolarHBondContact O-N 3.21Å |
| 367 | G | 96.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 170.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F383 D384 K385 S481 | G367-F383 CarbonylContact O-C 3.56Å; G367-F383 VanDerWaalsContact O-CA 3.31Å; G367-F383 WeakPolarHBondContact O-CA 3.42Å; G367-D384 PolarHBondContact O-N 2.81Å; G367-K385 PolarHBondContact N-O 2.93Å; G367-K385 WeakPolarHBondContact O-CB 3.47Å; G367-K385 PolarHBondContact O-N 2.96Å; G367-S481 CarbonylContact C-O 3.54Å; G367-S481 WeakPolarHBondContact CA-O 3.35Å |
| 368 | I | 95.7 | Very high | 88.9 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -87.5 | 129.3 | 172.8 | -58.3 | 177.7 | 0 | 0 | 0 | 108.1 | K372 I381 F383 V473 A475 S481 | I368-K372 HydrophobicContact CG2-CB 3.77Å; I368-K372 WeakPolarHBondContact CG2-O 3.36Å; I368-I381 HydrophobicContact CD1-CG2 3.77Å; I368-I381 HydrophobicContact CG1-CG2 4.29Å; I368-F383 HydrophobicContact CD1-CE1 4.26Å; I368-F383 HydrophobicContact CG1-CD1 3.67Å; I368-F383 HydrophobicContact CG1-CE1 3.87Å; I368-V473 HydrophobicContact CD1-CG1 3.3Å; I368-A475 HydrophobicContact CB-CB 3.77Å; I368-A475 HydrophobicContact CG2-CB 3.81Å; I368-A475 WeakPolarHBondContact O-CB 3.4Å; I368-S481 PolarHBondContact N-O 3.14Å |
| 369 | S | 92.4 | Very high | 89.8 | Confident | 28 Ų | 28 | 57 Ų | 57 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 150.4 | 175.5 | -71.1 | 0 | 0 | 0 | 0 | 111.6 | K371 K372 D384 | S369-K371 PolarHBondContact O-N 3.06Å; S369-K372 PolarHBondContact O-N 2.87Å; S369-K372 VanDerWaalsContact O-N 3.13Å; S369-D384 WeakPolarHBondContact CB-OD1 3.47Å; S369-D384 WeakPolarHBondContact CB-OD2 3.27Å; S369-D384 PolarHBondContact N-OD1 2.92Å; S369-D384 PolarHBondContact OG-OD1 2.74Å; S369-D384 PolarHBondContact OG-OD2 3.42Å |
| 370 | P | 82.5 | Confident | 90.5 | Very high | 55 Ų | 55 | 52.7 Ų | 52.7 | 36% | 0.357 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 136.8 | 171.4 | -21.8 | 29.6 | 0 | 0 | 0 | 110.5 | S476 | P370-S476 WeakPolarHBondContact CG-O 3.46Š|
| 371 | K | 77.1 | Confident | 90.6 | Very high | 202 Ų | 202 | 48.1 Ų | 48.1 | 88% | 0.878 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | 3.8 | -178.5 | -46.1 | 174 | -179.7 | 179.9 | 0 | 116.3 | S369 | S369-K371 PolarHBondContact O-N 3.06Š|
| 372 | K | 85.5 | Confident | 90.6 | Very high | 78 Ų | 78 | 48.1 Ų | 48.1 | 34% | 0.339 | 26% | 0.256 | S | S | . | . | trans | -106.4 | 27.7 | 172.9 | -67.1 | -174 | -179 | 168.9 | 0 | 113.7 | I368 S369 D384 | I368-K372 HydrophobicContact CG2-CB 3.77Å; I368-K372 WeakPolarHBondContact CG2-O 3.36Å; S369-K372 PolarHBondContact O-N 2.87Å; S369-K372 VanDerWaalsContact O-N 3.13Å; K372-D384 WeakPolarHBondContact CD-OD2 3.35Å; K372-D384 WeakPolarHBondContact CE-OD2 3.48Å; K372-D384 IonicContact NZ-OD2 3.68Å; K372-D384 PolarHBondContact NZ-OD2 2.99Å | ||
| 373 | S | 86.8 | Confident | 90.4 | Very high | 26 Ų | 26 | 48 Ų | 48 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | trans | -56.5 | 158.4 | 170.9 | -54.1 | 0 | 0 | 0 | 0 | 111.9 | Y474 A475 | S373-Y474 VanDerWaalsContact OG-CD2 3.25Å; S373-Y474 WeakPolarHBondContact OG-CD2 3.39Å; S373-A475 PolarHBondContact OG-N 3.42Å; S373-A475 PolarHBondContact OG-O 3.01Å | ||
| 374 | F | 88.5 | Confident | 90.2 | Very high | 70 Ų | 70 | 48.9 Ų | 48.9 | 31% | 0.307 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 57.6 | 61.2 | 177.1 | -45 | -70.9 | 0 | 0 | 0 | 112.4 | R418 N419 V473 Y474 | F374-R418 WeakPolarHBondContact CE1-O 3.34Å; F374-N419 HydrophobicContact CE1-CB 4.2Å; F374-N419 HydrophobicContact CZ-CB 4.03Å; F374-V473 PolarHBondContact N-O 3.27Å; F374-Y474 HydrophobicContact CE2-CD2 4.37Å; F374-Y474 HydrophobicContact CZ-CD2 4.2Å |
| 375 | P | 85.9 | Confident | 90 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -60 | 151.5 | -179.2 | 28.5 | -34.4 | 0 | 0 | 0 | 110.8 | S377 I381 T466 V473 | P375-S377 PolarHBondContact O-N 2.86Å; P375-I381 HydrophobicContact CB-CG2 4.31Å; P375-I381 HydrophobicContact CG-CG1 4.19Å; P375-I381 HydrophobicContact CG-CG2 4.07Å; P375-T466 HydrophobicContact CG-CG2 4.33Å; P375-V473 HydrophobicContact CG-CB 4.13Å; P375-V473 HydrophobicContact CG-CG1 4.36Å; P375-V473 HydrophobicContact CG-CG2 4.27Å |
| 376 | P | 85.6 | Confident | 89.9 | Confident | 92 Ų | 92 | 54.8 Ų | 54.8 | 60% | 0.597 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 136.1 | 174.3 | -23 | 32.6 | 0 | 0 | 0 | 111 | F379 | P376-F379 HydrophobicContact CB-CD2 4.23Š|
| 377 | S | 84.6 | Confident | 89.9 | Confident | 29 Ų | 29 | 59.1 Ų | 59.1 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 150.7 | -177.6 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | P375 F379 R468 | P375-S377 PolarHBondContact O-N 2.86Å; S377-F379 WeakPolarHBondContact O-CD2 3.42Å; S377-F379 PolarHBondContact O-N 2.77Å; S377-R468 VanDerWaalsContact CB-CA 3.44Å; S377-R468 WeakPolarHBondContact OG-CA 3.48Å; S377-R468 WeakPolarHBondContact OG-CG 3.45Å |
| 378 | G | 80.8 | Confident | 89.9 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 42% | 0.423 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 9.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T466 | G378-T466 PolarHBondContact N-O 3.21Å; G378-T466 VanDerWaalsContact N-O 3.1Å |
| 379 | F | 88.3 | Confident | 90 | Very high | 136 Ų | 136 | 63.2 Ų | 63.2 | 60% | 0.596 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -124.1 | 159.8 | 170.2 | -62.4 | -83.2 | 0 | 0 | 0 | 109.1 | P376 S377 I381 | P376-F379 HydrophobicContact CB-CD2 4.23Å; S377-F379 WeakPolarHBondContact O-CD2 3.42Å; S377-F379 PolarHBondContact O-N 2.77Å; F379-I381 PolarHBondContact O-N 2.93Å |
| 380 | P | 92.9 | Very high | 90.2 | Very high | 46 Ų | 46 | 68.4 Ų | 68.4 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -52.3 | 131.3 | 170.2 | -26.4 | 34.5 | 0 | 0 | 0 | 111.7 | R382 N399 W463 M464 | P380-R382 PolarHBondContact O-N 2.84Å; P380-N399 HydrophobicContact CB-CB 4.03Å; P380-W463 HydrophobicContact CB-CB 4.35Å; P380-W463 HydrophobicContact CB-CG 4.2Å; P380-W463 HydrophobicContact CG-CG 4.15Å; P380-M464 CarbonylContact C-O 3.5Å; P380-M464 WeakPolarHBondContact CA-O 3.31Å |
| 381 | I | 94.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | trans | -60.9 | 128.1 | 174.6 | -63.7 | 173.9 | 0 | 0 | 0 | 108 | I368 P375 F379 F383 N399 M464 T466 | I368-I381 HydrophobicContact CD1-CG2 3.77Å; I368-I381 HydrophobicContact CG1-CG2 4.29Å; P375-I381 HydrophobicContact CB-CG2 4.31Å; P375-I381 HydrophobicContact CG-CG1 4.19Å; P375-I381 HydrophobicContact CG-CG2 4.07Å; F379-I381 PolarHBondContact O-N 2.93Å; I381-F383 HydrophobicContact CB-CD2 4.31Å; I381-F383 HydrophobicContact CB-CE2 3.67Å; I381-F383 HydrophobicContact CB-CZ 3.98Å; I381-F383 HydrophobicContact CD1-CZ 4.43Å; I381-F383 HydrophobicContact CG2-CD1 4.47Å; I381-F383 HydrophobicContact CG2-CD2 4.12Å; I381-F383 HydrophobicContact CG2-CE1 4.03Å; I381-F383 HydrophobicContact CG2-CE2 3.65Å; I381-F383 HydrophobicContact CG2-CZ 3.58Å; I381-F383 VanDerWaalsContact O-CD2 3.23Å; I381-F383 WeakPolarHBondContact O-CD2 3.37Å; I381-F383 PolarHBondContact O-N 2.84Å; I381-N399 VanDerWaalsContact O-CB 3.32Å; I381-N399 WeakPolarHBondContact O-CB 3.5Å; I381-M464 HydrophobicContact CD1-CB 3.83Å; I381-M464 HydrophobicContact CG1-CB 4.35Å; I381-M464 PolarHBondContact N-O 3.41Å; I381-T466 HydrophobicContact CD1-CG2 3.69Å; I381-T466 HydrophobicContact CG1-CG2 4.05Å | ||
| 382 | R | 93.4 | Very high | 91.8 | Very high | 140 Ų | 140 | 64.1 Ų | 64.1 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | trans | -79.5 | 104.9 | 179.8 | -174.6 | 179.9 | 175 | -175.8 | 2.2 | 110.9 | P380 N399 | P380-R382 PolarHBondContact O-N 2.84Å; R382-N399 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 383 | F | 94.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.009 | 31% | 0.312 | C | S | . | . | trans | -99.9 | 107.8 | 171.5 | -60.2 | -84.3 | 0 | 0 | 0 | 109.2 | V366 G367 I368 I381 F394 M396 N399 M464 F483 | V366-F383 HydrophobicContact CB-CB 3.71Å; V366-F383 HydrophobicContact CB-CG 4.45Å; V366-F383 HydrophobicContact CG2-CB 3.38Å; V366-F383 HydrophobicContact CG2-CD1 4.22Å; V366-F383 HydrophobicContact CG2-CD2 4.16Å; V366-F383 HydrophobicContact CG2-CG 3.69Å; G367-F383 CarbonylContact O-C 3.56Å; G367-F383 VanDerWaalsContact O-CA 3.31Å; G367-F383 WeakPolarHBondContact O-CA 3.42Å; I368-F383 HydrophobicContact CD1-CE1 4.26Å; I368-F383 HydrophobicContact CG1-CD1 3.67Å; I368-F383 HydrophobicContact CG1-CE1 3.87Å; I381-F383 HydrophobicContact CB-CD2 4.31Å; I381-F383 HydrophobicContact CB-CE2 3.67Å; I381-F383 HydrophobicContact CB-CZ 3.98Å; I381-F383 HydrophobicContact CD1-CZ 4.43Å; I381-F383 HydrophobicContact CG2-CD1 4.47Å; I381-F383 HydrophobicContact CG2-CD2 4.12Å; I381-F383 HydrophobicContact CG2-CE1 4.03Å; I381-F383 HydrophobicContact CG2-CE2 3.65Å; I381-F383 HydrophobicContact CG2-CZ 3.58Å; I381-F383 VanDerWaalsContact O-CD2 3.23Å; I381-F383 WeakPolarHBondContact O-CD2 3.37Å; I381-F383 PolarHBondContact O-N 2.84Å; F383-F394 HydrophobicContact CB-CZ 4.49Å; F383-F394 HydrophobicContact CD2-CZ 4.29Å; F383-M396 WeakPolarHBondContact O-CE 3.34Å; F383-N399 PolarHBondContact N-OD1 2.99Å; F383-M464 HydrophobicContact CE2-CB 4.16Å; F383-M464 HydrophobicContact CE2-CG 4.48Å; F383-M464 HydrophobicContact CE2-SD 4.4Å; F383-M464 HydrophobicContact CZ-CB 4.41Å; F383-M464 HydrophobicContact CZ-SD 3.95Å; F383-F483 HydrophobicContact CD1-CB 4.23Å; F383-F483 HydrophobicContact CD2-CB 4.32Å; F383-F483 HydrophobicContact CD2-CD1 4.25Å; F383-F483 HydrophobicContact CE1-CB 3.71Å; F383-F483 HydrophobicContact CE2-CB 3.8Å; F383-F483 AromaticContact CE2-CD1 3.88Å; F383-F483 HydrophobicContact CE2-CD1 3.88Å; F383-F483 HydrophobicContact CE2-CG 4.22Å; F383-F483 HydrophobicContact CZ-CB 3.48Å; F383-F483 VanDerWaalsContact CZ-CB 3.48Å; F383-F483 HydrophobicContact CZ-CD1 4.4Å; F383-F483 HydrophobicContact CZ-CG 4.27Å | ||
| 384 | D | 93.1 | Very high | 92.9 | Very high | 40 Ų | 40 | 60.6 Ų | 60.6 | 21% | 0.214 | 30% | 0.304 | C | S | . | . | trans | -116.3 | -3.5 | -172.4 | 65.7 | -47.7 | 0 | 0 | 0 | 113.9 | G367 S369 K372 | G367-D384 PolarHBondContact O-N 2.81Å; S369-D384 WeakPolarHBondContact CB-OD1 3.47Å; S369-D384 WeakPolarHBondContact CB-OD2 3.27Å; S369-D384 PolarHBondContact N-OD1 2.92Å; S369-D384 PolarHBondContact OG-OD1 2.74Å; S369-D384 PolarHBondContact OG-OD2 3.42Å; K372-D384 WeakPolarHBondContact CD-OD2 3.35Å; K372-D384 WeakPolarHBondContact CE-OD2 3.48Å; K372-D384 IonicContact NZ-OD2 3.68Å; K372-D384 PolarHBondContact NZ-OD2 2.99Å | ||
| 385 | K | 95 | Very high | 93.2 | Very high | 65 Ų | 65 | 60.6 Ų | 60.6 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 114.7 | 169.4 | -176.2 | -179.9 | 177.7 | -173.4 | 0 | 108.3 | V366 G367 F387 D480 | V366-K385 CarbonylContact C-O 3.57Å; V366-K385 VanDerWaalsContact CA-O 3.28Å; V366-K385 WeakPolarHBondContact CA-O 3.48Å; G367-K385 PolarHBondContact N-O 2.93Å; G367-K385 WeakPolarHBondContact O-CB 3.47Å; G367-K385 PolarHBondContact O-N 2.96Å; K385-F387 HydrophobicContact CD-CE1 4.11Å; K385-F387 HydrophobicContact CD-CE2 4.38Å; K385-F387 HydrophobicContact CD-CZ 3.73Å; K385-F387 VanDerWaalsContact CE-CE1 3.41Å; K385-F387 VanDerWaalsContact CE-CZ 3.44Å; K385-F387 HydrophobicContact CG-CE1 4.41Å; K385-F387 HydrophobicContact CG-CZ 4.2Å; K385-D480 VanDerWaalsContact NZ-CG 3.26Å; K385-D480 IonicContact NZ-OD1 3.1Å; K385-D480 PolarHBondContact NZ-OD1 3.1Å; K385-D480 IonicContact NZ-OD2 3.21Å; K385-D480 PolarHBondContact NZ-OD2 3.36Å |
| 386 | I | 96.2 | Very high | 93.6 | Very high | 91 Ų | 91 | 63 Ų | 63 | 47% | 0.467 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 120 | -179.6 | -57.2 | 173.6 | 0 | 0 | 0 | 109 | N389 M396 | I386-N389 HydrophobicContact CG2-CB 3.81Å; I386-M396 HydrophobicContact CD1-CG 4.09Å; I386-M396 HydrophobicContact CD1-SD 3.67Å; I386-M396 HydrophobicContact CG1-CE 4.2Å; I386-M396 HydrophobicContact CG1-SD 3.64Å |
| 387 | F | 97.1 | Very high | 94 | Very high | 90 Ų | 90 | 64.2 Ų | 64.2 | 40% | 0.395 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -40.9 | 168 | -58.5 | -74.3 | 0 | 0 | 0 | 111.1 | S365 K385 I482 | S365-F387 WeakPolarHBondContact O-CA 3.33Å; S365-F387 WeakPolarHBondContact O-CB 3.4Å; S365-F387 PolarHBondContact O-N 2.85Å; K385-F387 HydrophobicContact CD-CE1 4.11Å; K385-F387 HydrophobicContact CD-CE2 4.38Å; K385-F387 HydrophobicContact CD-CZ 3.73Å; K385-F387 VanDerWaalsContact CE-CE1 3.41Å; K385-F387 VanDerWaalsContact CE-CZ 3.44Å; K385-F387 HydrophobicContact CG-CE1 4.41Å; K385-F387 HydrophobicContact CG-CZ 4.2Å; F387-I482 HydrophobicContact CD2-CG2 4.3Å; F387-I482 HydrophobicContact CE2-CD1 4Å; F387-I482 HydrophobicContact CE2-CG1 3.97Å; F387-I482 HydrophobicContact CE2-CG2 4.1Å; F387-I482 HydrophobicContact CZ-CD1 4.19Å; F387-I482 HydrophobicContact CZ-CG1 4.43Å |
| 388 | Y | 98.3 | Very high | 94.4 | Very high | 71 Ų | 71 | 65 Ų | 65 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 132.2 | 177.6 | -173 | -92.4 | 0 | 0 | 0 | 109.9 | A363 F364 S365 E390 E391 | A363-Y388 HydrophobicContact CB-CD1 4.06Å; A363-Y388 HydrophobicContact CB-CE1 3.74Å; A363-Y388 WeakPolarHBondContact O-CD1 3.47Å; A363-Y388 WeakPolarHBondContact O-CE1 3.17Å; F364-Y388 CarbonylContact C-O 3.48Å; F364-Y388 VanDerWaalsContact CA-O 3.24Å; F364-Y388 WeakPolarHBondContact CA-O 3.1Å; S365-Y388 PolarHBondContact N-O 2.92Å; S365-Y388 PolarHBondContact O-N 2.89Å; Y388-E390 HydrophobicContact CD2-CG 4.21Å; Y388-E390 HydrophobicContact CE1-CB 4.43Å; Y388-E390 HydrophobicContact CE2-CB 4.2Å; Y388-E390 VanDerWaalsContact CE2-CD 3.42Å; Y388-E390 HydrophobicContact CE2-CG 3.56Å; Y388-E390 VanDerWaalsContact CE2-OE2 3.32Å; Y388-E390 WeakPolarHBondContact CE2-OE2 3.49Å; Y388-E390 PolarHBondContact OH-OE2 2.78Å; Y388-E391 PolarHBondContact OH-OE1 2.89Å |
| 389 | N | 97.4 | Very high | 95.1 | Very high | 17 Ų | 17 | 63.9 Ų | 63.9 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | trans | -165.5 | 42.9 | 172.6 | -168.2 | 29.2 | 0 | 0 | 0 | 110.4 | I386 E391 N392 F394 | I386-N389 HydrophobicContact CG2-CB 3.81Å; N389-E391 VanDerWaalsContact C-N 3.27Å; N389-E391 PolarHBondContact O-N 2.75Å; N389-N392 PolarHBondContact O-N 2.95Å; N389-F394 PolarHBondContact ND2-O 2.65Å; N389-F394 WeakPolarHBondContact OD1-CB 3.45Å; N389-F394 PolarHBondContact OD1-N 2.73Å; N389-F394 VanDerWaalsContact OD1-N 3.15Å | ||
| 390 | E | 96.1 | Very high | 95.5 | Very high | 137 Ų | 137 | 57.6 Ų | 57.6 | 64% | 0.64 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -36.3 | -171.9 | -70 | -176.2 | 152.8 | 0 | 0 | 112.6 | Y388 N392 | Y388-E390 HydrophobicContact CD2-CG 4.21Å; Y388-E390 HydrophobicContact CE1-CB 4.43Å; Y388-E390 HydrophobicContact CE2-CB 4.2Å; Y388-E390 VanDerWaalsContact CE2-CD 3.42Å; Y388-E390 HydrophobicContact CE2-CG 3.56Å; Y388-E390 VanDerWaalsContact CE2-OE2 3.32Å; Y388-E390 WeakPolarHBondContact CE2-OE2 3.49Å; Y388-E390 PolarHBondContact OH-OE2 2.78Å; E390-N392 PolarHBondContact O-N 2.79Å; E390-N392 PolarHBondContact O-ND2 3.29Å |
| 391 | E | 95.8 | Very high | 95.8 | Very high | 43 Ų | 43 | 55.4 Ų | 55.4 | 20% | 0.201 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -7.6 | 177.4 | -62.1 | 83 | -160.5 | 0 | 0 | 113.8 | R361 A363 Y388 N389 H393 | R361-E391 HydrophobicContact CB-CG 4.23Å; R361-E391 WeakPolarHBondContact CB-OE1 3.18Å; A363-E391 PolarHBondContact N-OE2 3.13Å; A363-E391 VanDerWaalsContact N-OE2 3.12Å; Y388-E391 PolarHBondContact OH-OE1 2.89Å; N389-E391 VanDerWaalsContact C-N 3.27Å; N389-E391 PolarHBondContact O-N 2.75Å; E391-H393 PolarHBondContact O-CD2 2.81Å; E391-H393 PolarHBondContact O-N 2.87Å |
| 392 | N | 97 | Very high | 96 | Very high | 123 Ų | 123 | 57.5 Ų | 57.5 | 66% | 0.658 | 29% | 0.29 | S | S | * | . | trans | 56.1 | 27.1 | -176.8 | -58 | -76.1 | 0 | 0 | 0 | 114.1 | N389 E390 F394 | N389-N392 PolarHBondContact O-N 2.95Å; E390-N392 PolarHBondContact O-N 2.79Å; E390-N392 PolarHBondContact O-ND2 3.29Å; N392-F394 VanDerWaalsContact C-N 3.32Å | ||
| 393 | H | 97.7 | Very high | 96.2 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 13% | 0.125 | 27% | 0.266 | C | S | . | . | trans | -78.3 | -19.2 | 176.5 | -63 | 171.6 | 0 | 0 | 0 | 112.2 | S362 E391 F401 T402 V404 | S362-H393 VanDerWaalsContact CB-ND1 3.33Å; S362-H393 WeakPolarHBondContact CB-ND1 3.25Å; S362-H393 PolarHBondContact OG-ND1 3.27Å; E391-H393 PolarHBondContact O-CD2 2.81Å; E391-H393 PolarHBondContact O-N 2.87Å; H393-F401 HydrophobicContact CB-CD2 3.97Å; H393-F401 HydrophobicContact CB-CE2 3.53Å; H393-F401 HydrophobicContact CB-CZ 4.45Å; H393-F401 WeakPolarHBondContact O-CA 3.31Å; H393-T402 PolarHBondContact O-N 2.77Å; H393-V404 VanDerWaalsContact CD2-CG2 3.42Å; H393-V404 WeakPolarHBondContact CD2-CG2 3.37Å; H393-V404 WeakPolarHBondContact NE2-CG2 3.37Å | ||
| 394 | F | 97.9 | Very high | 96.3 | Very high | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.013 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 118.9 | 166.3 | -166.8 | -76.4 | 0 | 0 | 0 | 110.4 | F364 V366 F383 N389 N392 M396 F401 F483 | F364-F394 HydrophobicContact CB-CB 3.69Å; F364-F394 HydrophobicContact CB-CD2 4.49Å; F364-F394 HydrophobicContact CB-CG 4.4Å; F364-F394 HydrophobicContact CD1-CB 4.3Å; F364-F394 HydrophobicContact CD1-CD2 4.17Å; F364-F394 HydrophobicContact CD2-CB 4.13Å; F364-F394 AromaticContact CD2-CD2 3.31Å; F364-F394 HydrophobicContact CD2-CD2 3.31Å; F364-F394 AromaticContact CD2-CE2 3.97Å; F364-F394 HydrophobicContact CD2-CE2 3.97Å; F364-F394 AromaticContact CD2-CG 3.94Å; F364-F394 HydrophobicContact CD2-CG 3.94Å; F364-F394 HydrophobicContact CE1-CD2 4.23Å; F364-F394 AromaticContact CE2-CD2 3.4Å; F364-F394 HydrophobicContact CE2-CD2 3.4Å; F364-F394 AromaticContact CE2-CE2 3.69Å; F364-F394 HydrophobicContact CE2-CE2 3.69Å; F364-F394 HydrophobicContact CE2-CG 4.44Å; F364-F394 HydrophobicContact CG-CB 3.77Å; F364-F394 AromaticContact CG-CD2 3.72Å; F364-F394 HydrophobicContact CG-CD2 3.72Å; F364-F394 HydrophobicContact CG-CG 4.1Å; F364-F394 AromaticContact CZ-CD2 3.87Å; F364-F394 HydrophobicContact CZ-CD2 3.87Å; F364-F394 HydrophobicContact CZ-CE2 4.26Å; V366-F394 HydrophobicContact CG1-CD1 4.16Å; V366-F394 HydrophobicContact CG1-CE1 4.36Å; V366-F394 HydrophobicContact CG1-CG 4.32Å; V366-F394 HydrophobicContact CG2-CD2 4.39Å; V366-F394 HydrophobicContact CG2-CE1 4.22Å; V366-F394 HydrophobicContact CG2-CE2 3.94Å; V366-F394 HydrophobicContact CG2-CZ 3.84Å; F383-F394 HydrophobicContact CB-CZ 4.49Å; F383-F394 HydrophobicContact CD2-CZ 4.29Å; N389-F394 PolarHBondContact ND2-O 2.65Å; N389-F394 WeakPolarHBondContact OD1-CB 3.45Å; N389-F394 PolarHBondContact OD1-N 2.73Å; N389-F394 VanDerWaalsContact OD1-N 3.15Å; N392-F394 VanDerWaalsContact C-N 3.32Å; F394-M396 HydrophobicContact CD1-CE 3.08Å; F394-M396 HydrophobicContact CE1-CE 3.19Å; F394-M396 HydrophobicContact CG-CE 4.27Å; F394-M396 HydrophobicContact CZ-CE 4.44Å; F394-F401 HydrophobicContact CD2-CB 3.97Å; F394-F483 AromaticContact CE2-CD1 3.92Å; F394-F483 HydrophobicContact CE2-CD1 3.92Å; F394-F483 AromaticContact CE2-CE1 3.91Å; F394-F483 HydrophobicContact CE2-CE1 3.91Å |
| 395 | N | 96.3 | Very high | 96.5 | Very high | 71 Ų | 71 | 54.5 Ų | 54.5 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 113.3 | -178.5 | -178.3 | -41.2 | 0 | 0 | 0 | 110.7 | S397 S398 N399 S400 | N395-S397 VanDerWaalsContact C-N 3.31Å; N395-S397 PolarHBondContact O-N 3.02Å; N395-S397 WeakPolarHBondContact OD1-CA 3.45Å; N395-S397 WeakPolarHBondContact OD1-CB 3.5Å; N395-S397 PolarHBondContact OD1-N 3.01Å; N395-S398 WeakPolarHBondContact CB-OG 3.49Å; N395-S398 PolarHBondContact O-N 2.83Å; N395-S398 PolarHBondContact O-OG 3.36Å; N395-S398 PolarHBondContact OD1-N 2.82Å; N395-S398 VanDerWaalsContact OD1-N 3.09Å; N395-S398 PolarHBondContact OD1-OG 3.13Å; N395-N399 VanDerWaalsContact O-CA 3.27Å; N395-N399 WeakPolarHBondContact O-CA 3.45Å; N395-N399 PolarHBondContact O-N 2.89Å; N395-S400 PolarHBondContact N-O 3.34Å; N395-S400 PolarHBondContact O-N 2.72Å |
| 396 | M | 93.6 | Very high | 96.6 | Very high | 58 Ų | 58 | 53.5 Ų | 53.5 | 29% | 0.286 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -27.7 | -179.8 | -66.2 | -77.5 | 98 | 0 | 0 | 114.4 | V366 F383 I386 F394 N399 | V366-M396 HydrophobicContact CG1-CE 3.79Å; F383-M396 WeakPolarHBondContact O-CE 3.34Å; I386-M396 HydrophobicContact CD1-CG 4.09Å; I386-M396 HydrophobicContact CD1-SD 3.67Å; I386-M396 HydrophobicContact CG1-CE 4.2Å; I386-M396 HydrophobicContact CG1-SD 3.64Å; F394-M396 HydrophobicContact CD1-CE 3.08Å; F394-M396 HydrophobicContact CE1-CE 3.19Å; F394-M396 HydrophobicContact CG-CE 4.27Å; F394-M396 HydrophobicContact CZ-CE 4.44Å; M396-N399 PolarHBondContact O-OD1 3.16Å |
| 397 | S | 93 | Very high | 96.7 | Very high | 117 Ų | 117 | 49.2 Ų | 49.2 | 82% | 0.818 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -38.7 | -179.4 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | N395 | N395-S397 VanDerWaalsContact C-N 3.31Å; N395-S397 PolarHBondContact O-N 3.02Å; N395-S397 WeakPolarHBondContact OD1-CA 3.45Å; N395-S397 WeakPolarHBondContact OD1-CB 3.5Å; N395-S397 PolarHBondContact OD1-N 3.01Å |
| 398 | S | 93.3 | Very high | 96.7 | Very high | 45 Ų | 45 | 46.6 Ų | 46.6 | 32% | 0.315 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -13.5 | 177.3 | 62.1 | 0 | 0 | 0 | 0 | 113.7 | N395 S400 | N395-S398 WeakPolarHBondContact CB-OG 3.49Å; N395-S398 PolarHBondContact O-N 2.83Å; N395-S398 PolarHBondContact O-OG 3.36Å; N395-S398 PolarHBondContact OD1-N 2.82Å; N395-S398 VanDerWaalsContact OD1-N 3.09Å; N395-S398 PolarHBondContact OD1-OG 3.13Å; S398-S400 PolarHBondContact O-N 3.07Å; S398-S400 PolarHBondContact OG-OG 2.99Å |
| 399 | N | 95.7 | Very high | 96.7 | Very high | 18 Ų | 18 | 43.2 Ų | 43.2 | 10% | 0.096 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 41.1 | -170.8 | -59.2 | -80.5 | 0 | 0 | 0 | 112.9 | P380 I381 R382 F383 N395 M396 W463 | P380-N399 HydrophobicContact CB-CB 4.03Å; I381-N399 VanDerWaalsContact O-CB 3.32Å; I381-N399 WeakPolarHBondContact O-CB 3.5Å; R382-N399 WeakPolarHBondContact CA-OD1 3.38Å; F383-N399 PolarHBondContact N-OD1 2.99Å; N395-N399 VanDerWaalsContact O-CA 3.27Å; N395-N399 WeakPolarHBondContact O-CA 3.45Å; N395-N399 PolarHBondContact O-N 2.89Å; M396-N399 PolarHBondContact O-OD1 3.16Å; N399-W463 WeakPolarHBondContact O-CB 3.13Å |
| 400 | S | 97.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.5 | -179.6 | 70.8 | 0 | 0 | 0 | 0 | 111.1 | N395 S398 V462 | N395-S400 PolarHBondContact N-O 3.34Å; N395-S400 PolarHBondContact O-N 2.72Å; S398-S400 PolarHBondContact O-N 3.07Å; S398-S400 PolarHBondContact OG-OG 2.99Å; S400-V462 WeakPolarHBondContact CA-O 3.35Å |
| 401 | F | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 130.4 | 168.7 | 170.4 | -100.4 | 0 | 0 | 0 | 109.7 | S362 F364 H393 F394 C403 Y409 F411 L456 Q461 V462 | S362-F401 WeakPolarHBondContact OG-CZ 3.37Å; F364-F401 HydrophobicContact CD1-CB 4.17Å; F364-F401 AromaticContact CD1-CD2 3.31Å; F364-F401 HydrophobicContact CD1-CD2 3.31Å; F364-F401 AromaticContact CD1-CE2 3.91Å; F364-F401 HydrophobicContact CD1-CE2 3.91Å; F364-F401 AromaticContact CD1-CG 3.91Å; F364-F401 HydrophobicContact CD1-CG 3.91Å; F364-F401 HydrophobicContact CE1-CB 3.59Å; F364-F401 HydrophobicContact CE1-CD1 4.29Å; F364-F401 AromaticContact CE1-CD2 3.39Å; F364-F401 HydrophobicContact CE1-CD2 3.39Å; F364-F401 HydrophobicContact CE1-CE2 4.13Å; F364-F401 AromaticContact CE1-CG 3.48Å; F364-F401 HydrophobicContact CE1-CG 3.48Å; F364-F401 VanDerWaalsContact CE1-CG 3.48Å; F364-F401 HydrophobicContact CG-CD2 4.4Å; F364-F401 HydrophobicContact CZ-CB 4Å; F364-F401 HydrophobicContact CZ-CG 4.34Å; H393-F401 HydrophobicContact CB-CD2 3.97Å; H393-F401 HydrophobicContact CB-CE2 3.53Å; H393-F401 HydrophobicContact CB-CZ 4.45Å; H393-F401 WeakPolarHBondContact O-CA 3.31Å; F394-F401 HydrophobicContact CD2-CB 3.97Å; F401-C403 HydrophobicContact CE1-CB 4.15Å; F401-Y409 HydrophobicContact CE1-CD1 4.17Å; F401-Y409 AromaticContact CE1-CE1 3.89Å; F401-Y409 HydrophobicContact CE1-CE1 3.89Å; F401-Y409 HydrophobicContact CZ-CD1 4.08Å; F401-Y409 AromaticContact CZ-CE1 3.46Å; F401-Y409 HydrophobicContact CZ-CE1 3.46Å; F401-Y409 VanDerWaalsContact CZ-CE1 3.46Å; F401-Y409 AromaticContact CZ-CZ 3.97Å; F401-F411 AromaticContact CD1-CE1 3.98Å; F401-F411 HydrophobicContact CD1-CE1 3.98Å; F401-F411 AromaticContact CD1-CZ 3.9Å; F401-F411 HydrophobicContact CD1-CZ 3.9Å; F401-F411 HydrophobicContact CE1-CE1 4.45Å; F401-F411 HydrophobicContact CE1-CZ 4.08Å; F401-F411 HydrophobicContact CG-CE1 4.41Å; F401-L456 HydrophobicContact CE1-CD1 4.18Å; F401-Q461 CarbonylContact O-C 3.09Å; F401-Q461 VanDerWaalsContact O-CA 3.26Å; F401-Q461 WeakPolarHBondContact O-CA 3.32Å; F401-V462 HydrophobicContact CB-CB 4.4Å; F401-V462 HydrophobicContact CD1-CB 4.24Å; F401-V462 HydrophobicContact CD1-CG2 4.22Å; F401-V462 PolarHBondContact N-O 3.32Å; F401-V462 PolarHBondContact O-N 3.39Å |
| 402 | T | 98.3 | Very high | 97 | Very high | 45 Ų | 45 | 35.5 Ų | 35.5 | 28% | 0.276 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 123.2 | 172.6 | -56.7 | 0 | 0 | 0 | 0 | 109.4 | H393 V404 | H393-T402 PolarHBondContact O-N 2.77Å; T402-V404 PolarHBondContact O-N 2.94Å |
| 403 | C | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | trans | -68.7 | 112 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | F401 H405 Y409 L456 A457 G459 D460 | F401-C403 HydrophobicContact CE1-CB 4.15Å; C403-H405 PolarHBondContact SG-O 2.99Å; C403-Y409 VanDerWaalsContact SG-CE2 3.56Å; C403-L456 HydrophobicContact CB-CB 4.11Å; C403-L456 HydrophobicContact CB-CD1 4.16Å; C403-A457 WeakPolarHBondContact CB-O 3.2Å; C403-A457 PolarHBondContact SG-O 3.35Å; C403-G459 PolarHBondContact O-N 3.47Å; C403-D460 HydrophobicContact CB-CB 4.13Å; C403-D460 WeakPolarHBondContact CB-O 3.38Å; C403-D460 PolarHBondContact N-O 3.02Å | ||
| 404 | V | 97.1 | Very high | 97 | Very high | 69 Ų | 69 | 32.3 Ų | 32.3 | 42% | 0.418 | 19% | 0.19 | S | C | . | . | trans | -93.9 | -30.6 | 175.8 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | H393 T402 | H393-V404 VanDerWaalsContact CD2-CG2 3.42Å; H393-V404 WeakPolarHBondContact CD2-CG2 3.37Å; H393-V404 WeakPolarHBondContact NE2-CG2 3.37Å; T402-V404 PolarHBondContact O-N 2.94Å | ||
| 405 | H | 96.8 | Very high | 96.9 | Very high | 49 Ų | 49 | 32.2 Ų | 32.2 | 23% | 0.227 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -116 | 114.6 | -179.2 | -62.9 | -37.1 | 0 | 0 | 0 | 109.4 | R361 C403 Y409 L487 | R361-H405 PolarHBondContact O-CD2 3.2Å; C403-H405 PolarHBondContact SG-O 2.99Å; H405-Y409 WeakPolarHBondContact O-CE2 3.47Å; H405-Y409 PolarHBondContact O-OH 2.85Å; H405-L487 HydrophobicContact CB-CD2 4Å |
| 406 | P | 97.7 | Very high | 96.9 | Very high | 45 Ų | 45 | 28.9 Ų | 28.9 | 29% | 0.292 | 17% | 0.172 | S | C | . | . | trans | -62.6 | 143.5 | 177 | 28.8 | -33.3 | 0 | 0 | 0 | 109.8 | L456 D491 | P406-L456 WeakPolarHBondContact CA-O 3.34Å; P406-D491 HydrophobicContact CB-CB 4.46Å; P406-D491 PolarHBondContact O-N 3.32Å | ||
| 407 | G | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.5 | -166.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R455 L456 Y489 D491 | G407-R455 CarbonylContact O-C 3.38Å; G407-R455 WeakPolarHBondContact O-CA 3.44Å; G407-L456 PolarHBondContact N-O 3.12Å; G407-L456 PolarHBondContact O-N 2.95Å; G407-Y489 CarbonylContact C-O 3.56Å; G407-Y489 VanDerWaalsContact CA-O 3.25Å; G407-Y489 WeakPolarHBondContact CA-O 3.46Å; G407-D491 PolarHBondContact N-OD2 3.04Å |
| 408 | V | 98.2 | Very high | 96.9 | Very high | 36 Ų | 36 | 24.4 Ų | 24.4 | 22% | 0.218 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 122.5 | 178.9 | -177 | 0 | 0 | 0 | 0 | 109.8 | V453 L488 Y489 | V408-V453 HydrophobicContact CG1-CG1 3.31Å; V408-L488 WeakPolarHBondContact O-CA 3.5Å; V408-L488 WeakPolarHBondContact O-CB 3.35Å; V408-L488 PolarHBondContact O-N 3.21Å; V408-Y489 HydrophobicContact CB-CD2 4.29Å; V408-Y489 PolarHBondContact N-O 2.93Å; V408-Y489 PolarHBondContact O-N 3.21Å; V408-Y489 VanDerWaalsContact O-N 3.16Å |
| 409 | Y | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 146.8 | 177.8 | -76.7 | -97.8 | 0 | 0 | 0 | 111.1 | S362 F401 C403 H405 F411 V453 L454 L456 F486 L487 | S362-Y409 WeakPolarHBondContact OG-CE1 3.33Å; S362-Y409 PolarHBondContact OG-OH 2.83Å; F401-Y409 HydrophobicContact CE1-CD1 4.17Å; F401-Y409 AromaticContact CE1-CE1 3.89Å; F401-Y409 HydrophobicContact CE1-CE1 3.89Å; F401-Y409 HydrophobicContact CZ-CD1 4.08Å; F401-Y409 AromaticContact CZ-CE1 3.46Å; F401-Y409 HydrophobicContact CZ-CE1 3.46Å; F401-Y409 VanDerWaalsContact CZ-CE1 3.46Å; F401-Y409 AromaticContact CZ-CZ 3.97Å; C403-Y409 VanDerWaalsContact SG-CE2 3.56Å; H405-Y409 WeakPolarHBondContact O-CE2 3.47Å; H405-Y409 PolarHBondContact O-OH 2.85Å; Y409-F411 VanDerWaalsContact CB-CE2 3.49Å; Y409-F411 HydrophobicContact CD1-CZ 4.4Å; Y409-F411 HydrophobicContact CG-CE2 4.31Å; Y409-F411 HydrophobicContact CG-CZ 4.37Å; Y409-V453 CarbonylContact O-C 3.52Å; Y409-V453 WeakPolarHBondContact O-CA 3.35Å; Y409-L454 PolarHBondContact N-O 3.14Å; Y409-L454 PolarHBondContact O-N 3.28Å; Y409-L456 HydrophobicContact CD2-CB 3.98Å; Y409-L456 HydrophobicContact CD2-CD1 3.76Å; Y409-L456 HydrophobicContact CD2-CG 4Å; Y409-L456 HydrophobicContact CE2-CB 4.25Å; Y409-L456 HydrophobicContact CE2-CD1 4.28Å; Y409-L456 HydrophobicContact CG-CD1 3.96Å; Y409-F486 WeakPolarHBondContact CA-O 3.42Å; Y409-F486 VanDerWaalsContact CD1-C 3.49Å; Y409-F486 WeakPolarHBondContact CD1-O 3.5Å; Y409-L487 HydrophobicContact CD1-CB 4.16Å; Y409-L487 HydrophobicContact CD2-CD1 4.07Å; Y409-L487 HydrophobicContact CE1-CB 3.67Å; Y409-L487 HydrophobicContact CE1-CD1 4.19Å; Y409-L487 HydrophobicContact CE2-CD1 3.61Å |
| 410 | V | 98.6 | Very high | 96.5 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 8% | 0.079 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.4 | 167.2 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | L451 V452 V453 G485 F486 L488 | V410-L451 HydrophobicContact CG1-CD1 4.05Å; V410-L451 HydrophobicContact CG1-CD2 4.12Å; V410-L451 HydrophobicContact CG1-CG 3.95Å; V410-V452 WeakPolarHBondContact CA-O 3.28Å; V410-V453 HydrophobicContact CG2-CG2 4.28Å; V410-G485 CarbonylContact O-C 3.46Å; V410-G485 WeakPolarHBondContact O-CA 3.18Å; V410-F486 HydrophobicContact CB-CD1 4.35Å; V410-F486 HydrophobicContact CB-CE1 3.83Å; V410-F486 HydrophobicContact CB-CE2 4.16Å; V410-F486 HydrophobicContact CB-CZ 3.72Å; V410-F486 HydrophobicContact CG1-CE1 4Å; V410-F486 HydrophobicContact CG1-CZ 4.09Å; V410-F486 HydrophobicContact CG2-CE2 4.16Å; V410-F486 HydrophobicContact CG2-CZ 3.98Å; V410-F486 PolarHBondContact N-O 2.78Å; V410-F486 PolarHBondContact O-N 3Å; V410-L488 HydrophobicContact CG2-CB 4.07Å; V410-L488 HydrophobicContact CG2-CD2 3.92Å; V410-L488 HydrophobicContact CG2-CG 4.44Å |
| 411 | F | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 136.7 | 170.7 | -65.4 | -85 | 0 | 0 | 0 | 109.3 | F364 F401 Y409 L426 L451 V452 L454 L456 V462 F483 S484 | F364-F411 HydrophobicContact CE1-CD1 4.25Å; F364-F411 AromaticContact CE1-CE1 3.8Å; F364-F411 HydrophobicContact CE1-CE1 3.8Å; F364-F411 HydrophobicContact CZ-CD1 4.04Å; F364-F411 AromaticContact CZ-CE1 3.96Å; F364-F411 HydrophobicContact CZ-CE1 3.96Å; F401-F411 AromaticContact CD1-CE1 3.98Å; F401-F411 HydrophobicContact CD1-CE1 3.98Å; F401-F411 AromaticContact CD1-CZ 3.9Å; F401-F411 HydrophobicContact CD1-CZ 3.9Å; F401-F411 HydrophobicContact CE1-CE1 4.45Å; F401-F411 HydrophobicContact CE1-CZ 4.08Å; F401-F411 HydrophobicContact CG-CE1 4.41Å; Y409-F411 VanDerWaalsContact CB-CE2 3.49Å; Y409-F411 HydrophobicContact CD1-CZ 4.4Å; Y409-F411 HydrophobicContact CG-CE2 4.31Å; Y409-F411 HydrophobicContact CG-CZ 4.37Å; F411-L426 HydrophobicContact CB-CD2 4.09Å; F411-L426 HydrophobicContact CD2-CD2 4.38Å; F411-L426 HydrophobicContact CG-CD2 4.27Å; F411-L451 CarbonylContact O-C 3.49Å; F411-L451 WeakPolarHBondContact O-CA 3.35Å; F411-V452 HydrophobicContact CB-CG1 3.97Å; F411-V452 PolarHBondContact N-O 3.42Å; F411-V452 PolarHBondContact O-N 3.21Å; F411-L454 HydrophobicContact CD2-CD1 4.07Å; F411-L454 HydrophobicContact CE2-CB 4.46Å; F411-L454 HydrophobicContact CE2-CD1 4.3Å; F411-L456 HydrophobicContact CE2-CD1 3.77Å; F411-L456 HydrophobicContact CZ-CD1 3.7Å; F411-V462 HydrophobicContact CD1-CG1 4.24Å; F411-V462 HydrophobicContact CE1-CB 4.13Å; F411-V462 HydrophobicContact CE1-CG1 3.88Å; F411-V462 HydrophobicContact CE1-CG2 4.44Å; F411-V462 HydrophobicContact CE2-CG1 4.34Å; F411-V462 HydrophobicContact CE2-CG2 4.35Å; F411-V462 HydrophobicContact CZ-CB 4.04Å; F411-V462 HydrophobicContact CZ-CG1 3.95Å; F411-V462 HydrophobicContact CZ-CG2 3.84Å; F411-F483 HydrophobicContact CB-CE2 4.25Å; F411-F483 AromaticContact CD1-CE2 3.85Å; F411-F483 HydrophobicContact CD1-CE2 3.85Å; F411-F483 AromaticContact CD1-CZ 3.84Å; F411-F483 HydrophobicContact CD1-CZ 3.84Å; F411-F483 HydrophobicContact CE1-CZ 4.38Å; F411-F483 HydrophobicContact CG-CE2 4.47Å; F411-S484 WeakPolarHBondContact CA-O 3.48Å |
| 412 | S | 97.9 | Very high | 96.1 | Very high | 20 Ų | 20 | 31.3 Ų | 31.3 | 14% | 0.14 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 141.8 | 173.7 | -166.6 | 0 | 0 | 0 | 0 | 109.5 | H414 T450 S484 | S412-H414 PolarHBondContact OG-NE2 2.76Å; S412-T450 WeakPolarHBondContact CA-O 3.23Å; S412-S484 PolarHBondContact N-O 3.44Å; S412-S484 PolarHBondContact O-N 3.25Å; S412-S484 VanDerWaalsContact O-O 3.09Å |
| 413 | F | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 147.7 | 167.5 | 56.2 | -95 | 0 | 0 | 0 | 110.9 | I415 A424 T436 S449 T450 M464 I482 F483 | F413-I415 HydrophobicContact CD2-CD1 3.97Å; F413-I415 HydrophobicContact CD2-CG1 4.25Å; F413-I415 HydrophobicContact CE2-CD1 4.39Å; F413-A424 HydrophobicContact CE2-CB 4.48Å; F413-T436 HydrophobicContact CE2-CG2 4.23Å; F413-T436 WeakPolarHBondContact CE2-OG1 3.35Å; F413-T436 WeakPolarHBondContact CZ-OG1 3.4Å; F413-S449 CarbonylContact O-C 3.46Å; F413-S449 WeakPolarHBondContact O-CA 3.32Å; F413-S449 WeakPolarHBondContact O-CB 3.37Å; F413-T450 HydrophobicContact CE1-CG2 4.32Å; F413-T450 HydrophobicContact CZ-CG2 4.2Å; F413-T450 PolarHBondContact N-O 3.16Å; F413-T450 PolarHBondContact O-N 2.99Å; F413-M464 HydrophobicContact CB-CE 3.8Å; F413-M464 HydrophobicContact CB-SD 3.47Å; F413-M464 WeakPolarHBondContact CB-SD 3.32Å; F413-M464 HydrophobicContact CD1-CE 3.52Å; F413-M464 HydrophobicContact CD1-SD 3.74Å; F413-M464 HydrophobicContact CD2-CE 3.42Å; F413-M464 VanDerWaalsContact CD2-CE 3.42Å; F413-M464 HydrophobicContact CD2-SD 4.29Å; F413-M464 HydrophobicContact CE1-CE 3.8Å; F413-M464 HydrophobicContact CE1-SD 4.48Å; F413-M464 HydrophobicContact CE2-CE 3.69Å; F413-M464 HydrophobicContact CG-CE 3.29Å; F413-M464 HydrophobicContact CG-SD 3.6Å; F413-M464 VanDerWaalsContact CG-SD 3.6Å; F413-M464 HydrophobicContact CZ-CE 3.84Å; F413-I482 CarbonylContact C-O 3.57Å; F413-I482 WeakPolarHBondContact CA-O 3.42Å; F413-I482 WeakPolarHBondContact CB-O 3.22Å; F413-F483 HydrophobicContact CB-CB 4.46Å; F413-F483 HydrophobicContact CB-CD2 4.12Å |
| 414 | H | 97.3 | Very high | 95.7 | Very high | 83 Ų | 83 | 31.7 Ų | 31.7 | 38% | 0.384 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 116.1 | 178.8 | -58 | -93.4 | 0 | 0 | 0 | 106.3 | S412 A448 S449 S481 I482 | S412-H414 PolarHBondContact OG-NE2 2.76Å; H414-A448 CarbonylContact C-O 3.57Å; H414-S449 VanDerWaalsContact ND1-CB 3.31Å; H414-S449 WeakPolarHBondContact ND1-CB 3.47Å; H414-S481 CarbonylContact O-C 3.57Å; H414-S481 VanDerWaalsContact O-CA 3.32Å; H414-S481 WeakPolarHBondContact O-CA 3.34Å; H414-I482 PolarHBondContact N-O 3.38Å; H414-I482 PolarHBondContact O-N 2.82Å |
| 415 | I | 96.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 121.6 | -174.4 | -66.5 | 173.5 | 0 | 0 | 0 | 108.1 | F413 V417 L422 A424 A448 M464 V473 | F413-I415 HydrophobicContact CD2-CD1 3.97Å; F413-I415 HydrophobicContact CD2-CG1 4.25Å; F413-I415 HydrophobicContact CE2-CD1 4.39Å; I415-V417 HydrophobicContact CG2-CG2 4.27Å; I415-V417 PolarHBondContact O-N 2.85Å; I415-L422 HydrophobicContact CB-CD2 3.89Å; I415-L422 HydrophobicContact CD1-CD2 3.97Å; I415-L422 HydrophobicContact CG2-CD1 4.21Å; I415-L422 HydrophobicContact CG2-CD2 3.63Å; I415-A424 HydrophobicContact CD1-CB 3.77Å; I415-A448 PolarHBondContact N-O 3.34Å; I415-A448 PolarHBondContact O-N 3.3Å; I415-M464 HydrophobicContact CD1-CE 3.69Å; I415-V473 HydrophobicContact CD1-CG2 4.5Å; I415-V473 HydrophobicContact CG2-CB 4.15Å; I415-V473 HydrophobicContact CG2-CG1 4Å; I415-V473 HydrophobicContact CG2-CG2 3.97Å |
| 416 | T | 95.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 124.4 | 165.5 | -56.7 | 0 | 0 | 0 | 0 | 108.6 | I445 Q447 Y474 D479 D480 S481 | T416-I445 HydrophobicContact CG2-CG2 3.69Å; T416-Q447 PolarHBondContact OG1-NE2 2.67Å; T416-Y474 HydrophobicContact CG2-CD1 3.88Å; T416-Y474 WeakPolarHBondContact O-CB 3.31Å; T416-Y474 PolarHBondContact O-N 3.03Å; T416-D479 HydrophobicContact CG2-CB 4.19Å; T416-D480 PolarHBondContact OG1-O 3.46Å; T416-S481 PolarHBondContact N-OG 2.83Å |
| 417 | V | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.3 | -178 | -172 | 0 | 0 | 0 | 0 | 109.8 | I415 Q420 L422 D438 L440 I445 D446 A448 G472 | I415-V417 HydrophobicContact CG2-CG2 4.27Å; I415-V417 PolarHBondContact O-N 2.85Å; V417-Q420 WeakPolarHBondContact CG1-O 3.42Å; V417-L422 HydrophobicContact CG1-CB 3.87Å; V417-L422 HydrophobicContact CG2-CB 3.79Å; V417-L422 HydrophobicContact CG2-CD2 3.72Å; V417-L422 HydrophobicContact CG2-CG 4.33Å; V417-D438 HydrophobicContact CG2-CB 4.13Å; V417-L440 HydrophobicContact CG1-CB 4.18Å; V417-L440 HydrophobicContact CG1-CD1 4.49Å; V417-L440 HydrophobicContact CG1-CD2 4.35Å; V417-I445 WeakPolarHBondContact O-CA 3.38Å; V417-D446 HydrophobicContact CB-CB 4.34Å; V417-D446 PolarHBondContact N-O 3.27Å; V417-D446 PolarHBondContact O-N 3.5Å; V417-A448 HydrophobicContact CG2-CB 3.87Å; V417-G472 VanDerWaalsContact CA-O 3.3Å; V417-G472 WeakPolarHBondContact CA-O 3.25Å |
| 418 | R | 92.8 | Very high | 95.5 | Very high | 80 Ų | 80 | 24.5 Ų | 24.5 | 30% | 0.302 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 151.2 | -179 | -165.9 | 173.9 | -179.5 | 175.6 | 4.4 | 112.1 | F374 Q420 L440 I445 G472 Y474 | F374-R418 WeakPolarHBondContact CE1-O 3.34Å; R418-Q420 PolarHBondContact O-N 3.29Å; R418-L440 VanDerWaalsContact C-CD2 3.45Å; R418-I445 HydrophobicContact CG-CG1 4.06Å; R418-G472 PolarHBondContact N-O 3.13Å; R418-Y474 HydrophobicContact CB-CD1 4.32Å; R418-Y474 HydrophobicContact CB-CD2 4.15Å; R418-Y474 HydrophobicContact CB-CG 3.83Å; R418-Y474 PolarHBondContact NH1-OH 3.48Å; R418-Y474 VanDerWaalsContact NH1-OH 3.08Å |
| 419 | N | 89.1 | Confident | 95.4 | Very high | 98 Ų | 98 | 26.8 Ų | 26.8 | 52% | 0.524 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 62.1 | -32.5 | 177.1 | -66 | -10.8 | 0 | 0 | 0 | 116.9 | F374 | F374-N419 HydrophobicContact CE1-CB 4.2Å; F374-N419 HydrophobicContact CZ-CB 4.03Å |
| 420 | Q | 89.8 | Confident | 95.2 | Very high | 88 Ų | 88 | 29.1 Ų | 29.1 | 41% | 0.411 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 155.6 | -178.3 | -68.6 | -169.9 | 6.2 | 0 | 0 | 109.4 | V417 R418 N471 G472 | V417-Q420 WeakPolarHBondContact CG1-O 3.42Å; R418-Q420 PolarHBondContact O-N 3.29Å; Q420-N471 PolarHBondContact OE1-OD1 3.46Å; Q420-G472 WeakPolarHBondContact O-CA 3.42Å |
| 421 | P | 92.9 | Very high | 95 | Very high | 27 Ų | 27 | 33.9 Ų | 33.9 | 18% | 0.175 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 159.2 | 176.6 | 33.8 | -39.5 | 0 | 0 | 0 | 111.2 | D438 W470 N471 G472 | P421-D438 WeakPolarHBondContact CB-O 3.15Å; P421-W470 HydrophobicContact CB-CD2 3.72Å; P421-W470 HydrophobicContact CB-CE3 3.42Å; P421-W470 VanDerWaalsContact CB-CE3 3.42Å; P421-W470 HydrophobicContact CB-CG 4.39Å; P421-W470 HydrophobicContact CB-CH2 3.9Å; P421-W470 HydrophobicContact CB-CZ2 4.24Å; P421-W470 HydrophobicContact CB-CZ3 3.51Å; P421-W470 HydrophobicContact CG-CB 4.49Å; P421-W470 HydrophobicContact CG-CD2 3.5Å; P421-W470 VanDerWaalsContact CG-CD2 3.5Å; P421-W470 HydrophobicContact CG-CE3 3.78Å; P421-W470 HydrophobicContact CG-CG 3.84Å; P421-W470 HydrophobicContact CG-CH2 4.17Å; P421-W470 HydrophobicContact CG-CZ2 3.98Å; P421-W470 HydrophobicContact CG-CZ3 4.11Å; P421-W470 CarbonylContact O-C 3.51Å; P421-W470 WeakPolarHBondContact O-CA 3.45Å; P421-W470 WeakPolarHBondContact O-CB 3.32Å; P421-N471 PolarHBondContact O-N 3.29Å; P421-G472 PolarHBondContact O-N 3.12Å |
| 422 | L | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 133.2 | -176.5 | 179.6 | 70.9 | 0 | 0 | 0 | 111.5 | I415 V417 A424 R437 D438 A448 T466 V473 | I415-L422 HydrophobicContact CB-CD2 3.89Å; I415-L422 HydrophobicContact CD1-CD2 3.97Å; I415-L422 HydrophobicContact CG2-CD1 4.21Å; I415-L422 HydrophobicContact CG2-CD2 3.63Å; V417-L422 HydrophobicContact CG1-CB 3.87Å; V417-L422 HydrophobicContact CG2-CB 3.79Å; V417-L422 HydrophobicContact CG2-CD2 3.72Å; V417-L422 HydrophobicContact CG2-CG 4.33Å; L422-A424 HydrophobicContact CD1-CB 4.22Å; L422-A424 HydrophobicContact CD2-CB 4.25Å; L422-A424 HydrophobicContact CG-CB 4.25Å; L422-R437 VanDerWaalsContact O-CA 3.31Å; L422-R437 WeakPolarHBondContact O-CA 3.36Å; L422-D438 HydrophobicContact CB-CB 4.04Å; L422-D438 PolarHBondContact N-O 3.1Å; L422-D438 PolarHBondContact O-N 3.45Å; L422-A448 HydrophobicContact CD2-CB 3.55Å; L422-T466 HydrophobicContact CD1-CG2 4.45Å; L422-V473 HydrophobicContact CD1-CG2 3.41Å; L422-V473 VanDerWaalsContact CD1-CG2 3.41Å |
| 423 | R | 94.1 | Very high | 94.6 | Very high | 53 Ų | 53 | 44.9 Ų | 44.9 | 20% | 0.2 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 105.6 | 156.6 | -75.4 | 165.3 | -178.4 | -171 | 6.1 | 108.2 | T436 R437 T466 F467 W470 | R423-T436 WeakPolarHBondContact CA-O 3.3Å; R423-R437 HydrophobicContact CG-CB 4.43Å; R423-R437 HydrophobicContact CG-CG 4.16Å; R423-T466 WeakPolarHBondContact O-CA 3.16Å; R423-F467 HydrophobicContact CB-CB 4Å; R423-F467 HydrophobicContact CB-CD2 3.76Å; R423-F467 HydrophobicContact CB-CG 4.11Å; R423-F467 PolarHBondContact O-N 3.1Å; R423-F467 VanDerWaalsContact O-N 3.11Å; R423-W470 HydrophobicContact CB-CB 3.79Å; R423-W470 HydrophobicContact CG-CB 3.76Å; R423-W470 HydrophobicContact CG-CD2 3.88Å; R423-W470 HydrophobicContact CG-CE3 3.58Å; R423-W470 HydrophobicContact CG-CG 3.97Å; R423-W470 PolarHBondContact N-O 3.37Å; R423-W470 VanDerWaalsContact NE-CD2 3.3Å |
| 424 | A | 94 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 150.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | F413 I415 L422 R435 T436 M464 E465 | F413-A424 HydrophobicContact CE2-CB 4.48Å; I415-A424 HydrophobicContact CD1-CB 3.77Å; L422-A424 HydrophobicContact CD1-CB 4.22Å; L422-A424 HydrophobicContact CD2-CB 4.25Å; L422-A424 HydrophobicContact CG-CB 4.25Å; A424-R435 WeakPolarHBondContact O-CA 3.21Å; A424-T436 PolarHBondContact N-O 3Å; A424-T436 PolarHBondContact O-N 3.5Å; A424-M464 HydrophobicContact CB-CE 4Å; A424-E465 CarbonylContact C-O 3.59Å; A424-E465 WeakPolarHBondContact CA-O 3.32Å |
| 425 | T | 94.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 140.4 | 174 | -172.6 | 0 | 0 | 0 | 0 | 111.2 | V427 R432 V434 M464 E465 F467 | T425-V427 HydrophobicContact CG2-CG2 3.89Å; T425-R432 HydrophobicContact CG2-CG 3.92Å; T425-V434 CarbonylContact C-O 3.55Å; T425-V434 WeakPolarHBondContact CA-O 3.3Å; T425-V434 VanDerWaalsContact CB-O 3.31Å; T425-V434 WeakPolarHBondContact CB-O 3.38Å; T425-V434 PolarHBondContact OG1-O 3.18Å; T425-M464 WeakPolarHBondContact O-CA 3.44Å; T425-E465 HydrophobicContact CG2-CB 4.05Å; T425-E465 PolarHBondContact N-O 3.01Å; T425-E465 PolarHBondContact O-N 3.1Å; T425-F467 HydrophobicContact CG2-CE2 3.79Å; T425-F467 HydrophobicContact CG2-CZ 4.45Å |
| 426 | L | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 127.1 | 167 | -168.2 | 76.1 | 0 | 0 | 0 | 108.5 | F411 K433 V434 V452 L454 V462 M464 F483 | F411-L426 HydrophobicContact CB-CD2 4.09Å; F411-L426 HydrophobicContact CD2-CD2 4.38Å; F411-L426 HydrophobicContact CG-CD2 4.27Å; L426-K433 PolarHBondContact O-N 3.08Å; L426-V434 HydrophobicContact CB-CB 4.15Å; L426-V434 PolarHBondContact N-O 3.11Å; L426-V434 PolarHBondContact O-N 3.41Å; L426-V452 HydrophobicContact CD2-CG1 3.5Å; L426-V452 VanDerWaalsContact CD2-CG1 3.5Å; L426-L454 HydrophobicContact CD2-CD1 3.7Å; L426-V462 HydrophobicContact CD1-CG1 3.72Å; L426-V462 HydrophobicContact CD2-CG1 4.23Å; L426-V462 HydrophobicContact CG-CG1 3.95Å; L426-M464 HydrophobicContact CD1-CG 4.01Å; L426-F483 HydrophobicContact CD1-CE2 3.63Å; L426-F483 HydrophobicContact CD1-CZ 3.61Å |
| 427 | V | 96.8 | Very high | 94 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.9 | -176.1 | -172.2 | 0 | 0 | 0 | 0 | 109 | T425 G430 L431 R432 V462 W463 E465 | T425-V427 HydrophobicContact CG2-CG2 3.89Å; V427-G430 VanDerWaalsContact CG1-CA 3.42Å; V427-L431 WeakPolarHBondContact CA-O 3.23Å; V427-R432 HydrophobicContact CG2-CG 4.06Å; V427-V462 VanDerWaalsContact O-CA 3.28Å; V427-V462 WeakPolarHBondContact O-CA 3.44Å; V427-W463 HydrophobicContact CB-CD2 3.99Å; V427-W463 HydrophobicContact CB-CG 4.38Å; V427-W463 HydrophobicContact CB-CZ2 3.99Å; V427-W463 HydrophobicContact CG1-CD2 4.25Å; V427-W463 HydrophobicContact CG1-CH2 3.83Å; V427-W463 HydrophobicContact CG1-CZ2 3.38Å; V427-W463 HydrophobicContact CG1-CZ3 4.36Å; V427-W463 PolarHBondContact N-O 2.9Å; V427-W463 PolarHBondContact O-N 3.24Å; V427-E465 HydrophobicContact CG2-CB 4.39Å; V427-E465 HydrophobicContact CG2-CG 3.87Å |
| 428 | V | 97.6 | Very high | 94 | Very high | 10 Ų | 10 | 57.6 Ų | 57.6 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 117.6 | 173.5 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | G430 L431 K433 L454 L456 D460 Q461 V462 | V428-G430 PolarHBondContact O-N 3.34Å; V428-G430 VanDerWaalsContact O-N 3.16Å; V428-L431 PolarHBondContact N-O 2.76Å; V428-L431 WeakPolarHBondContact O-CB 3.39Å; V428-L431 PolarHBondContact O-N 3.32Å; V428-K433 HydrophobicContact CB-CG 3.93Å; V428-K433 HydrophobicContact CG2-CB 4.47Å; V428-K433 HydrophobicContact CG2-CG 3.59Å; V428-L454 HydrophobicContact CG2-CD1 3.9Å; V428-L456 HydrophobicContact CG1-CD2 3.94Å; V428-L456 HydrophobicContact CG2-CD2 4.49Å; V428-D460 HydrophobicContact CG1-CB 4.47Å; V428-Q461 CarbonylContact C-O 3.57Å; V428-Q461 VanDerWaalsContact CA-O 3.3Å; V428-Q461 WeakPolarHBondContact CA-O 3.19Å; V428-V462 HydrophobicContact CG1-CG2 4.36Å; V428-V462 HydrophobicContact CG2-CG1 4.27Å; V428-V462 HydrophobicContact CG2-CG2 4.05Å |
| 429 | N | 95.8 | Very high | 93.9 | Very high | 84 Ų | 84 | 55.7 Ų | 55.7 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 38.6 | -177.2 | -61.8 | -22.1 | 0 | 0 | 0 | 113.6 | L431 D460 Q461 | N429-L431 VanDerWaalsContact C-N 3.25Å; N429-L431 PolarHBondContact O-N 3.01Å; N429-D460 PolarHBondContact ND2-OD1 2.89Å; N429-D460 WeakPolarHBondContact OD1-CA 3.49Å; N429-Q461 PolarHBondContact N-O 3.41Å; N429-Q461 PolarHBondContact OD1-N 3.43Å |
| 430 | G | 93.5 | Very high | 93.7 | Very high | 48 Ų | 48 | 52.1 Ų | 52.1 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | -8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V427 V428 | V427-G430 VanDerWaalsContact CG1-CA 3.42Å; V428-G430 PolarHBondContact O-N 3.34Å; V428-G430 VanDerWaalsContact O-N 3.16Å |
| 431 | L | 94.9 | Very high | 93.1 | Very high | 113 Ų | 113 | 56.6 Ų | 56.6 | 59% | 0.592 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 120.8 | 175.7 | -60.1 | 176.1 | 0 | 0 | 0 | 110.5 | V427 V428 N429 K433 | V427-L431 WeakPolarHBondContact CA-O 3.23Å; V428-L431 PolarHBondContact N-O 2.76Å; V428-L431 WeakPolarHBondContact O-CB 3.39Å; V428-L431 PolarHBondContact O-N 3.32Å; N429-L431 VanDerWaalsContact C-N 3.25Å; N429-L431 PolarHBondContact O-N 3.01Å; L431-K433 PolarHBondContact O-N 2.99Å |
| 432 | R | 94.3 | Very high | 92.2 | Very high | 134 Ų | 134 | 58.6 Ų | 58.6 | 51% | 0.506 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 113.8 | 175.3 | -67 | 173.6 | 176.5 | 168.8 | -1.7 | 109.5 | T425 V427 E465 F467 | T425-R432 HydrophobicContact CG2-CG 3.92Å; V427-R432 HydrophobicContact CG2-CG 4.06Å; R432-E465 IonicContact NE-OE2 3.96Å; R432-E465 IonicContact NH2-OE2 3.57Å; R432-F467 VanDerWaalsContact NH1-CZ 3.35Å |
| 433 | K | 93.8 | Very high | 91.4 | Very high | 118 Ų | 118 | 67 Ų | 67 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -43.6 | -176.3 | -67.1 | -61.2 | -172.9 | 172 | 0 | 112.8 | L426 V428 L431 | L426-K433 PolarHBondContact O-N 3.08Å; V428-K433 HydrophobicContact CB-CG 3.93Å; V428-K433 HydrophobicContact CG2-CB 4.47Å; V428-K433 HydrophobicContact CG2-CG 3.59Å; L431-K433 PolarHBondContact O-N 2.99Å |
| 434 | V | 93.7 | Very high | 91.1 | Very high | 30 Ų | 30 | 69.7 Ų | 69.7 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.8 | -177 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | T425 L426 T450 V452 | T425-V434 CarbonylContact C-O 3.55Å; T425-V434 WeakPolarHBondContact CA-O 3.3Å; T425-V434 VanDerWaalsContact CB-O 3.31Å; T425-V434 WeakPolarHBondContact CB-O 3.38Å; T425-V434 PolarHBondContact OG1-O 3.18Å; L426-V434 HydrophobicContact CB-CB 4.15Å; L426-V434 PolarHBondContact N-O 3.11Å; L426-V434 PolarHBondContact O-N 3.41Å; V434-T450 HydrophobicContact CG1-CG2 3.69Å; V434-V452 HydrophobicContact CG2-CB 3.9Å; V434-V452 HydrophobicContact CG2-CG1 4.03Å; V434-V452 HydrophobicContact CG2-CG2 3.63Å |
| 435 | R | 92.9 | Very high | 90.9 | Very high | 139 Ų | 139 | 73.7 Ų | 73.7 | 53% | 0.525 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 128.5 | 177.6 | -174 | 178.7 | -179 | 177.3 | -1 | 109.5 | A424 | A424-R435 WeakPolarHBondContact O-CA 3.21Å |
| 436 | T | 93.7 | Very high | 90.9 | Very high | 15 Ų | 15 | 77.1 Ų | 77.1 | 9% | 0.092 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.9 | 176.1 | -53.6 | 0 | 0 | 0 | 0 | 108 | F413 R423 A424 A448 T450 | F413-T436 HydrophobicContact CE2-CG2 4.23Å; F413-T436 WeakPolarHBondContact CE2-OG1 3.35Å; F413-T436 WeakPolarHBondContact CZ-OG1 3.4Å; R423-T436 WeakPolarHBondContact CA-O 3.3Å; A424-T436 PolarHBondContact N-O 3Å; A424-T436 PolarHBondContact O-N 3.5Å; T436-A448 HydrophobicContact CG2-CB 4.2Å; T436-T450 WeakPolarHBondContact CG2-OG1 3.24Å; T436-T450 PolarHBondContact OG1-OG1 3Å |
| 437 | R | 93.9 | Very high | 90.9 | Very high | 148 Ų | 148 | 81.9 Ų | 81.9 | 56% | 0.558 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132.2 | 178.4 | 179.4 | -178.6 | 171.4 | -176.8 | -7.7 | 108.3 | L422 R423 W470 | L422-R437 VanDerWaalsContact O-CA 3.31Å; L422-R437 WeakPolarHBondContact O-CA 3.36Å; R423-R437 HydrophobicContact CG-CB 4.43Å; R423-R437 HydrophobicContact CG-CG 4.16Å; R437-W470 HydrophobicContact CG-CE3 4.04Å; R437-W470 HydrophobicContact CG-CZ3 3.62Å; R437-W470 VanDerWaalsContact NE-CH2 3.28Å |
| 438 | D | 93.9 | Very high | 90.8 | Very high | 21 Ų | 21 | 82.1 Ų | 82.1 | 11% | 0.112 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132.8 | 171.8 | -158.6 | -25.2 | 0 | 0 | 0 | 109 | V417 P421 L422 A448 W470 | V417-D438 HydrophobicContact CG2-CB 4.13Å; P421-D438 WeakPolarHBondContact CB-O 3.15Å; L422-D438 HydrophobicContact CB-CB 4.04Å; L422-D438 PolarHBondContact N-O 3.1Å; L422-D438 PolarHBondContact O-N 3.45Å; D438-A448 HydrophobicContact CB-CB 3.94Å; D438-W470 WeakPolarHBondContact O-CZ3 3.37Å |
| 439 | S | 90.8 | Very high | 90.7 | Very high | 41 Ų | 41 | 85.1 Ų | 85.1 | 29% | 0.287 | 43% | 0.434 | S | S | . | . | trans | -106.6 | 109.8 | -177.7 | -54 | 0 | 0 | 0 | 0 | 108 | ||||
| 440 | L | 86.6 | Confident | 90.8 | Very high | 22 Ų | 22 | 82.7 Ų | 82.7 | 12% | 0.115 | 42% | 0.423 | C | S | . | . | trans | -98.5 | 136.1 | 178.2 | -164.4 | 77.7 | 0 | 0 | 0 | 110.4 | V417 R418 D444 D446 | V417-L440 HydrophobicContact CG1-CB 4.18Å; V417-L440 HydrophobicContact CG1-CD1 4.49Å; V417-L440 HydrophobicContact CG1-CD2 4.35Å; R418-L440 VanDerWaalsContact C-CD2 3.45Å; L440-D444 HydrophobicContact CD1-CB 4.21Å; L440-D444 WeakPolarHBondContact CD2-O 3.48Å; L440-D446 HydrophobicContact CD1-CB 3.81Å | ||
| 441 | Y | 76.2 | Confident | 90.9 | Very high | 182 Ų | 182 | 85.7 Ų | 85.7 | 71% | 0.714 | 43% | 0.427 | S | S | * | . | trans | -118.9 | 138.8 | 175.2 | -62.7 | -83.6 | 0 | 0 | 0 | 110.1 | ||||
| 442 | G | 74.8 | Confident | 91.1 | Very high | 70 Ų | 70 | 81 Ų | 81 | 72% | 0.722 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | -139.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 443 | Q | 77.7 | Confident | 91.2 | Very high | 177 Ų | 177 | 78.5 Ų | 78.5 | 83% | 0.827 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 14 | -178 | -68.8 | -173.1 | -3.3 | 0 | 0 | 113.1 | ||
| 444 | D | 86.4 | Confident | 91.4 | Very high | 108 Ų | 108 | 74.3 Ų | 74.3 | 58% | 0.578 | 39% | 0.385 | S | S | * | . | trans | -67.7 | 162.4 | -176.1 | -63.2 | -22.6 | 0 | 0 | 0 | 111.6 | L440 | L440-D444 HydrophobicContact CD1-CB 4.21Å; L440-D444 WeakPolarHBondContact CD2-O 3.48Å | ||
| 445 | I | 91.3 | Very high | 91.6 | Very high | 84 Ų | 84 | 81.4 Ų | 81.4 | 43% | 0.431 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 129.7 | 171.1 | -60.6 | 175.6 | 0 | 0 | 0 | 106.5 | T416 V417 R418 | T416-I445 HydrophobicContact CG2-CG2 3.69Å; V417-I445 WeakPolarHBondContact O-CA 3.38Å; R418-I445 HydrophobicContact CG-CG1 4.06Å |
| 446 | D | 94.9 | Very high | 91.9 | Very high | 74 Ų | 74 | 75 Ų | 75 | 40% | 0.396 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 171.5 | 177.5 | -149.7 | -14.2 | 0 | 0 | 0 | 111.6 | V417 L440 | V417-D446 HydrophobicContact CB-CB 4.34Å; V417-D446 PolarHBondContact N-O 3.27Å; V417-D446 PolarHBondContact O-N 3.5Å; L440-D446 HydrophobicContact CD1-CB 3.81Å |
| 447 | Q | 95.3 | Very high | 92.1 | Very high | 101 Ų | 101 | 76.8 Ų | 76.8 | 47% | 0.472 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 105.9 | -178.8 | -71.9 | -65.4 | -36.2 | 0 | 0 | 111.1 | T416 | T416-Q447 PolarHBondContact OG1-NE2 2.67Å |
| 448 | A | 95.5 | Very high | 92.2 | Very high | 6 Ų | 6 | 72.9 Ų | 72.9 | 5% | 0.05 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 125.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110 | H414 I415 V417 L422 T436 D438 | H414-A448 CarbonylContact C-O 3.57Å; I415-A448 PolarHBondContact N-O 3.34Å; I415-A448 PolarHBondContact O-N 3.3Å; V417-A448 HydrophobicContact CG2-CB 3.87Å; L422-A448 HydrophobicContact CD2-CB 3.55Å; T436-A448 HydrophobicContact CG2-CB 4.2Å; D438-A448 HydrophobicContact CB-CB 3.94Å |
| 449 | S | 96.1 | Very high | 92.4 | Very high | 72 Ų | 72 | 74.1 Ų | 74.1 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 153.2 | 174.7 | 63.1 | 0 | 0 | 0 | 0 | 112.7 | F413 H414 | F413-S449 CarbonylContact O-C 3.46Å; F413-S449 WeakPolarHBondContact O-CA 3.32Å; F413-S449 WeakPolarHBondContact O-CB 3.37Å; H414-S449 VanDerWaalsContact ND1-CB 3.31Å; H414-S449 WeakPolarHBondContact ND1-CB 3.47Å |
| 450 | T | 96.5 | Very high | 92.7 | Very high | 34 Ų | 34 | 73.7 Ų | 73.7 | 21% | 0.209 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 140.5 | 176.2 | -60.4 | 0 | 0 | 0 | 0 | 109.9 | S412 F413 V434 T436 | S412-T450 WeakPolarHBondContact CA-O 3.23Å; F413-T450 HydrophobicContact CE1-CG2 4.32Å; F413-T450 HydrophobicContact CZ-CG2 4.2Å; F413-T450 PolarHBondContact N-O 3.16Å; F413-T450 PolarHBondContact O-N 2.99Å; V434-T450 HydrophobicContact CG1-CG2 3.69Å; T436-T450 WeakPolarHBondContact CG2-OG1 3.24Å; T436-T450 PolarHBondContact OG1-OG1 3Å |
| 451 | L | 96.9 | Very high | 93.3 | Very high | 110 Ų | 110 | 76.7 Ų | 76.7 | 58% | 0.576 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135.8 | 172.8 | -176.8 | 149 | 0 | 0 | 0 | 108.8 | V410 F411 V453 | V410-L451 HydrophobicContact CG1-CD1 4.05Å; V410-L451 HydrophobicContact CG1-CD2 4.12Å; V410-L451 HydrophobicContact CG1-CG 3.95Å; F411-L451 CarbonylContact O-C 3.49Å; F411-L451 WeakPolarHBondContact O-CA 3.35Å; L451-V453 HydrophobicContact CD2-CG2 4.49Å |
| 452 | V | 97.3 | Very high | 94.3 | Very high | 15 Ų | 15 | 68 Ų | 68 | 9% | 0.091 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 143.9 | 177.1 | 63.9 | 0 | 0 | 0 | 0 | 110.9 | V410 F411 L426 V434 L454 | V410-V452 WeakPolarHBondContact CA-O 3.28Å; F411-V452 HydrophobicContact CB-CG1 3.97Å; F411-V452 PolarHBondContact N-O 3.42Å; F411-V452 PolarHBondContact O-N 3.21Å; L426-V452 HydrophobicContact CD2-CG1 3.5Å; L426-V452 VanDerWaalsContact CD2-CG1 3.5Å; V434-V452 HydrophobicContact CG2-CB 3.9Å; V434-V452 HydrophobicContact CG2-CG1 4.03Å; V434-V452 HydrophobicContact CG2-CG2 3.63Å; V452-L454 HydrophobicContact CG1-CD1 4.26Å; V452-L454 HydrophobicContact CG1-CG 4.27Å; V452-L454 HydrophobicContact CG2-CD2 3.83Å; V452-L454 HydrophobicContact CG2-CG 3.93Å |
| 453 | V | 98.1 | Very high | 95.4 | Very high | 81 Ų | 81 | 66.2 Ų | 66.2 | 49% | 0.491 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.5 | 171.9 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | V408 Y409 V410 L451 | V408-V453 HydrophobicContact CG1-CG1 3.31Å; Y409-V453 CarbonylContact O-C 3.52Å; Y409-V453 WeakPolarHBondContact O-CA 3.35Å; V410-V453 HydrophobicContact CG2-CG2 4.28Å; L451-V453 HydrophobicContact CD2-CG2 4.49Å |
| 454 | L | 97.3 | Very high | 96.3 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 16% | 0.157 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 136.2 | -178.1 | -64.1 | 176.1 | 0 | 0 | 0 | 110 | Y409 F411 L426 V428 V452 L456 | Y409-L454 PolarHBondContact N-O 3.14Å; Y409-L454 PolarHBondContact O-N 3.28Å; F411-L454 HydrophobicContact CD2-CD1 4.07Å; F411-L454 HydrophobicContact CE2-CB 4.46Å; F411-L454 HydrophobicContact CE2-CD1 4.3Å; L426-L454 HydrophobicContact CD2-CD1 3.7Å; V428-L454 HydrophobicContact CG2-CD1 3.9Å; V452-L454 HydrophobicContact CG1-CD1 4.26Å; V452-L454 HydrophobicContact CG1-CG 4.27Å; V452-L454 HydrophobicContact CG2-CD2 3.83Å; V452-L454 HydrophobicContact CG2-CG 3.93Å; L454-L456 HydrophobicContact CB-CD2 4.28Å |
| 455 | R | 97.7 | Very high | 96.7 | Very high | 180 Ų | 180 | 53.8 Ų | 53.8 | 68% | 0.679 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 127.8 | 164.6 | -167 | 176.9 | -172 | -179.7 | 3.2 | 108.8 | G407 D491 | G407-R455 CarbonylContact O-C 3.38Å; G407-R455 WeakPolarHBondContact O-CA 3.44Å; R455-D491 IonicContact CZ-OD1 3.37Å; R455-D491 IonicContact NE-OD1 3.78Å; R455-D491 PolarHBondContact NE-OD1 3.21Å; R455-D491 VanDerWaalsContact NE-OD1 3.14Å; R455-D491 IonicContact NE-OD2 3.14Å; R455-D491 IonicContact NH2-OD1 2.8Å; R455-D491 PolarHBondContact NH2-OD1 2.74Å; R455-D491 IonicContact NH2-OD2 3.53Å |
| 456 | L | 98.2 | Very high | 96.8 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 144.2 | -178.4 | -60.7 | -177.7 | 0 | 0 | 0 | 110.6 | F401 C403 P406 G407 Y409 F411 V428 L454 D460 V462 | F401-L456 HydrophobicContact CE1-CD1 4.18Å; C403-L456 HydrophobicContact CB-CB 4.11Å; C403-L456 HydrophobicContact CB-CD1 4.16Å; P406-L456 WeakPolarHBondContact CA-O 3.34Å; G407-L456 PolarHBondContact N-O 3.12Å; G407-L456 PolarHBondContact O-N 2.95Å; Y409-L456 HydrophobicContact CD2-CB 3.98Å; Y409-L456 HydrophobicContact CD2-CD1 3.76Å; Y409-L456 HydrophobicContact CD2-CG 4Å; Y409-L456 HydrophobicContact CE2-CB 4.25Å; Y409-L456 HydrophobicContact CE2-CD1 4.28Å; Y409-L456 HydrophobicContact CG-CD1 3.96Å; F411-L456 HydrophobicContact CE2-CD1 3.77Å; F411-L456 HydrophobicContact CZ-CD1 3.7Å; V428-L456 HydrophobicContact CG1-CD2 3.94Å; V428-L456 HydrophobicContact CG2-CD2 4.49Å; L454-L456 HydrophobicContact CB-CD2 4.28Å; L456-D460 HydrophobicContact CB-CB 4.34Å; L456-D460 HydrophobicContact CD2-CB 4.31Å; L456-V462 HydrophobicContact CD1-CG2 3.7Å; L456-V462 HydrophobicContact CD2-CG2 4.13Å |
| 457 | A | 98 | Very high | 96.4 | Very high | 52 Ų | 52 | 48.1 Ų | 48.1 | 43% | 0.43 | 27% | 0.271 | S | S | . | . | trans | -90.3 | 156.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | C403 G459 D460 | C403-A457 WeakPolarHBondContact CB-O 3.2Å; C403-A457 PolarHBondContact SG-O 3.35Å; A457-G459 PolarHBondContact O-N 3.22Å; A457-D460 PolarHBondContact N-OD2 3.41Å; A457-D460 WeakPolarHBondContact O-CB 3.33Å; A457-D460 PolarHBondContact O-N 3.42Å; A457-D460 VanDerWaalsContact O-N 3.08Å | ||
| 458 | A | 97.5 | Very high | 95.6 | Very high | 66 Ų | 66 | 53 Ų | 53 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 129.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 459 | G | 97 | Very high | 94.9 | Very high | 46 Ų | 46 | 58.8 Ų | 58.8 | 47% | 0.474 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | -11.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | C403 A457 Q461 | C403-G459 PolarHBondContact O-N 3.47Å; A457-G459 PolarHBondContact O-N 3.22Å; G459-Q461 PolarHBondContact O-N 3.27Å |
| 460 | D | 98.2 | Very high | 94.5 | Very high | 33 Ų | 33 | 57.7 Ų | 57.7 | 18% | 0.176 | 30% | 0.3 | C | S | . | . | trans | -61.2 | 133.8 | 176 | -75 | -13.2 | 0 | 0 | 0 | 111 | C403 V428 N429 L456 A457 | C403-D460 HydrophobicContact CB-CB 4.13Å; C403-D460 WeakPolarHBondContact CB-O 3.38Å; C403-D460 PolarHBondContact N-O 3.02Å; V428-D460 HydrophobicContact CG1-CB 4.47Å; N429-D460 PolarHBondContact ND2-OD1 2.89Å; N429-D460 WeakPolarHBondContact OD1-CA 3.49Å; L456-D460 HydrophobicContact CB-CB 4.34Å; L456-D460 HydrophobicContact CD2-CB 4.31Å; A457-D460 PolarHBondContact N-OD2 3.41Å; A457-D460 WeakPolarHBondContact O-CB 3.33Å; A457-D460 PolarHBondContact O-N 3.42Å; A457-D460 VanDerWaalsContact O-N 3.08Å | ||
| 461 | Q | 98 | Very high | 94.1 | Very high | 85 Ų | 85 | 57.3 Ų | 57.3 | 40% | 0.397 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.9 | 176.1 | -68.2 | -176.3 | 24.5 | 0 | 0 | 110.9 | F401 V428 N429 G459 W463 | F401-Q461 CarbonylContact O-C 3.09Å; F401-Q461 VanDerWaalsContact O-CA 3.26Å; F401-Q461 WeakPolarHBondContact O-CA 3.32Å; V428-Q461 CarbonylContact C-O 3.57Å; V428-Q461 VanDerWaalsContact CA-O 3.3Å; V428-Q461 WeakPolarHBondContact CA-O 3.19Å; N429-Q461 PolarHBondContact N-O 3.41Å; N429-Q461 PolarHBondContact OD1-N 3.43Å; G459-Q461 PolarHBondContact O-N 3.27Å; Q461-W463 HydrophobicContact CB-CE3 4.2Å; Q461-W463 HydrophobicContact CB-CZ3 3.94Å |
| 462 | V | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 129.7 | -179.6 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | S400 F401 F411 L426 V427 V428 L456 F483 | S400-V462 WeakPolarHBondContact CA-O 3.35Å; F401-V462 HydrophobicContact CB-CB 4.4Å; F401-V462 HydrophobicContact CD1-CB 4.24Å; F401-V462 HydrophobicContact CD1-CG2 4.22Å; F401-V462 PolarHBondContact N-O 3.32Å; F401-V462 PolarHBondContact O-N 3.39Å; F411-V462 HydrophobicContact CD1-CG1 4.24Å; F411-V462 HydrophobicContact CE1-CB 4.13Å; F411-V462 HydrophobicContact CE1-CG1 3.88Å; F411-V462 HydrophobicContact CE1-CG2 4.44Å; F411-V462 HydrophobicContact CE2-CG1 4.34Å; F411-V462 HydrophobicContact CE2-CG2 4.35Å; F411-V462 HydrophobicContact CZ-CB 4.04Å; F411-V462 HydrophobicContact CZ-CG1 3.95Å; F411-V462 HydrophobicContact CZ-CG2 3.84Å; L426-V462 HydrophobicContact CD1-CG1 3.72Å; L426-V462 HydrophobicContact CD2-CG1 4.23Å; L426-V462 HydrophobicContact CG-CG1 3.95Å; V427-V462 VanDerWaalsContact O-CA 3.28Å; V427-V462 WeakPolarHBondContact O-CA 3.44Å; V428-V462 HydrophobicContact CG1-CG2 4.36Å; V428-V462 HydrophobicContact CG2-CG1 4.27Å; V428-V462 HydrophobicContact CG2-CG2 4.05Å; L456-V462 HydrophobicContact CD1-CG2 3.7Å; L456-V462 HydrophobicContact CD2-CG2 4.13Å; V462-F483 HydrophobicContact CG1-CZ 4.4Å |
| 463 | W | 97.6 | Very high | 93.7 | Very high | 31 Ų | 31 | 51.4 Ų | 51.4 | 12% | 0.117 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 173.6 | 176 | 66.9 | 96.2 | 0 | 0 | 0 | 111.5 | P380 N399 V427 Q461 E465 | P380-W463 HydrophobicContact CB-CB 4.35Å; P380-W463 HydrophobicContact CB-CG 4.2Å; P380-W463 HydrophobicContact CG-CG 4.15Å; N399-W463 WeakPolarHBondContact O-CB 3.13Å; V427-W463 HydrophobicContact CB-CD2 3.99Å; V427-W463 HydrophobicContact CB-CG 4.38Å; V427-W463 HydrophobicContact CB-CZ2 3.99Å; V427-W463 HydrophobicContact CG1-CD2 4.25Å; V427-W463 HydrophobicContact CG1-CH2 3.83Å; V427-W463 HydrophobicContact CG1-CZ2 3.38Å; V427-W463 HydrophobicContact CG1-CZ3 4.36Å; V427-W463 PolarHBondContact N-O 2.9Å; V427-W463 PolarHBondContact O-N 3.24Å; Q461-W463 HydrophobicContact CB-CE3 4.2Å; Q461-W463 HydrophobicContact CB-CZ3 3.94Å; W463-E465 VanDerWaalsContact CD1-CG 3.47Å; W463-E465 VanDerWaalsContact NE1-CG 3.26Å; W463-E465 PolarHBondContact NE1-OE1 2.99Å |
| 464 | M | 96.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 144.3 | 174 | -66.3 | -168.7 | 69 | 0 | 0 | 111.5 | P380 I381 F383 F413 I415 A424 T425 L426 F483 | P380-M464 CarbonylContact C-O 3.5Å; P380-M464 WeakPolarHBondContact CA-O 3.31Å; I381-M464 HydrophobicContact CD1-CB 3.83Å; I381-M464 HydrophobicContact CG1-CB 4.35Å; I381-M464 PolarHBondContact N-O 3.41Å; F383-M464 HydrophobicContact CE2-CB 4.16Å; F383-M464 HydrophobicContact CE2-CG 4.48Å; F383-M464 HydrophobicContact CE2-SD 4.4Å; F383-M464 HydrophobicContact CZ-CB 4.41Å; F383-M464 HydrophobicContact CZ-SD 3.95Å; F413-M464 HydrophobicContact CB-CE 3.8Å; F413-M464 HydrophobicContact CB-SD 3.47Å; F413-M464 WeakPolarHBondContact CB-SD 3.32Å; F413-M464 HydrophobicContact CD1-CE 3.52Å; F413-M464 HydrophobicContact CD1-SD 3.74Å; F413-M464 HydrophobicContact CD2-CE 3.42Å; F413-M464 VanDerWaalsContact CD2-CE 3.42Å; F413-M464 HydrophobicContact CD2-SD 4.29Å; F413-M464 HydrophobicContact CE1-CE 3.8Å; F413-M464 HydrophobicContact CE1-SD 4.48Å; F413-M464 HydrophobicContact CE2-CE 3.69Å; F413-M464 HydrophobicContact CG-CE 3.29Å; F413-M464 HydrophobicContact CG-SD 3.6Å; F413-M464 VanDerWaalsContact CG-SD 3.6Å; F413-M464 HydrophobicContact CZ-CE 3.84Å; I415-M464 HydrophobicContact CD1-CE 3.69Å; A424-M464 HydrophobicContact CB-CE 4Å; T425-M464 WeakPolarHBondContact O-CA 3.44Å; L426-M464 HydrophobicContact CD1-CG 4.01Å; M464-F483 HydrophobicContact CG-CD1 4.08Å; M464-F483 HydrophobicContact CG-CD2 4.04Å; M464-F483 HydrophobicContact CG-CE1 4.15Å; M464-F483 HydrophobicContact CG-CE2 4.12Å; M464-F483 HydrophobicContact CG-CG 4.03Å; M464-F483 HydrophobicContact CG-CZ 4.18Å; M464-F483 HydrophobicContact SD-CB 3.87Å; M464-F483 HydrophobicContact SD-CD1 4.31Å; M464-F483 HydrophobicContact SD-CD2 3.67Å; M464-F483 HydrophobicContact SD-CE2 4.28Å; M464-F483 HydrophobicContact SD-CG 3.7Å |
| 465 | E | 94.7 | Very high | 93.4 | Very high | 23 Ų | 23 | 48 Ų | 48 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 152.8 | 173.3 | -59.2 | -177.7 | 170.2 | 0 | 0 | 111 | A424 T425 V427 R432 W463 | A424-E465 CarbonylContact C-O 3.59Å; A424-E465 WeakPolarHBondContact CA-O 3.32Å; T425-E465 HydrophobicContact CG2-CB 4.05Å; T425-E465 PolarHBondContact N-O 3.01Å; T425-E465 PolarHBondContact O-N 3.1Å; V427-E465 HydrophobicContact CG2-CB 4.39Å; V427-E465 HydrophobicContact CG2-CG 3.87Å; R432-E465 IonicContact NE-OE2 3.96Å; R432-E465 IonicContact NH2-OE2 3.57Å; W463-E465 VanDerWaalsContact CD1-CG 3.47Å; W463-E465 VanDerWaalsContact NE1-CG 3.26Å; W463-E465 PolarHBondContact NE1-OE1 2.99Å |
| 466 | T | 92.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 154.8 | 166 | 59.1 | 0 | 0 | 0 | 0 | 111.5 | P375 G378 I381 L422 R423 V473 | P375-T466 HydrophobicContact CG-CG2 4.33Å; G378-T466 PolarHBondContact N-O 3.21Å; G378-T466 VanDerWaalsContact N-O 3.1Å; I381-T466 HydrophobicContact CD1-CG2 3.69Å; I381-T466 HydrophobicContact CG1-CG2 4.05Å; L422-T466 HydrophobicContact CD1-CG2 4.45Å; R423-T466 WeakPolarHBondContact O-CA 3.16Å; T466-V473 HydrophobicContact CG2-CG2 3.51Å |
| 467 | F | 87.7 | Confident | 92.8 | Very high | 40 Ų | 40 | 45.2 Ų | 45.2 | 18% | 0.175 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 151 | 173.3 | -74 | -107.3 | 0 | 0 | 0 | 111.3 | R423 T425 R432 D469 W470 | R423-F467 HydrophobicContact CB-CB 4Å; R423-F467 HydrophobicContact CB-CD2 3.76Å; R423-F467 HydrophobicContact CB-CG 4.11Å; R423-F467 PolarHBondContact O-N 3.1Å; R423-F467 VanDerWaalsContact O-N 3.11Å; T425-F467 HydrophobicContact CG2-CE2 3.79Å; T425-F467 HydrophobicContact CG2-CZ 4.45Å; R432-F467 VanDerWaalsContact NH1-CZ 3.35Å; F467-D469 VanDerWaalsContact C-N 3.26Å; F467-D469 PolarHBondContact O-N 3.34Å; F467-D469 VanDerWaalsContact O-N 3.15Å; F467-W470 CarbonylContact O-C 3.56Å; F467-W470 PolarHBondContact O-N 3.06Å |
| 468 | R | 78.1 | Confident | 92.4 | Very high | 202 Ų | 202 | 51 Ų | 51 | 76% | 0.762 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -49.2 | -44.1 | -175.4 | -83.3 | -174.2 | -178.5 | -175.7 | 2.6 | 114.7 | S377 | S377-R468 VanDerWaalsContact CB-CA 3.44Å; S377-R468 WeakPolarHBondContact OG-CA 3.48Å; S377-R468 WeakPolarHBondContact OG-CG 3.45Å |
| 469 | D | 80.6 | Confident | 92.1 | Very high | 128 Ų | 128 | 49.9 Ų | 49.9 | 68% | 0.684 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -12.2 | -168.3 | -47.4 | -38.6 | 0 | 0 | 0 | 112.7 | F467 | F467-D469 VanDerWaalsContact C-N 3.26Å; F467-D469 PolarHBondContact O-N 3.34Å; F467-D469 VanDerWaalsContact O-N 3.15Å |
| 470 | W | 87.1 | Confident | 92.1 | Very high | 49 Ų | 49 | 50.2 Ų | 50.2 | 19% | 0.186 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 72.4 | -167.2 | -74.9 | 45.7 | 0 | 0 | 0 | 109.3 | P421 R423 R437 D438 F467 | P421-W470 HydrophobicContact CB-CD2 3.72Å; P421-W470 HydrophobicContact CB-CE3 3.42Å; P421-W470 VanDerWaalsContact CB-CE3 3.42Å; P421-W470 HydrophobicContact CB-CG 4.39Å; P421-W470 HydrophobicContact CB-CH2 3.9Å; P421-W470 HydrophobicContact CB-CZ2 4.24Å; P421-W470 HydrophobicContact CB-CZ3 3.51Å; P421-W470 HydrophobicContact CG-CB 4.49Å; P421-W470 HydrophobicContact CG-CD2 3.5Å; P421-W470 VanDerWaalsContact CG-CD2 3.5Å; P421-W470 HydrophobicContact CG-CE3 3.78Å; P421-W470 HydrophobicContact CG-CG 3.84Å; P421-W470 HydrophobicContact CG-CH2 4.17Å; P421-W470 HydrophobicContact CG-CZ2 3.98Å; P421-W470 HydrophobicContact CG-CZ3 4.11Å; P421-W470 CarbonylContact O-C 3.51Å; P421-W470 WeakPolarHBondContact O-CA 3.45Å; P421-W470 WeakPolarHBondContact O-CB 3.32Å; R423-W470 HydrophobicContact CB-CB 3.79Å; R423-W470 HydrophobicContact CG-CB 3.76Å; R423-W470 HydrophobicContact CG-CD2 3.88Å; R423-W470 HydrophobicContact CG-CE3 3.58Å; R423-W470 HydrophobicContact CG-CG 3.97Å; R423-W470 PolarHBondContact N-O 3.37Å; R423-W470 VanDerWaalsContact NE-CD2 3.3Å; R437-W470 HydrophobicContact CG-CE3 4.04Å; R437-W470 HydrophobicContact CG-CZ3 3.62Å; R437-W470 VanDerWaalsContact NE-CH2 3.28Å; D438-W470 WeakPolarHBondContact O-CZ3 3.37Å; F467-W470 CarbonylContact O-C 3.56Å; F467-W470 PolarHBondContact O-N 3.06Å |
| 471 | N | 88.7 | Confident | 92 | Very high | 26 Ų | 26 | 48.6 Ų | 48.6 | 14% | 0.139 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 32.3 | -173.7 | 74.7 | -21.8 | 0 | 0 | 0 | 113.7 | Q420 P421 V473 | Q420-N471 PolarHBondContact OE1-OD1 3.46Å; P421-N471 PolarHBondContact O-N 3.29Å; N471-V473 PolarHBondContact O-N 3.44Å |
| 472 | G | 92.6 | Very high | 92 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 20.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | V417 R418 Q420 P421 Y474 | V417-G472 VanDerWaalsContact CA-O 3.3Å; V417-G472 WeakPolarHBondContact CA-O 3.25Å; R418-G472 PolarHBondContact N-O 3.13Å; Q420-G472 WeakPolarHBondContact O-CA 3.42Å; P421-G472 PolarHBondContact O-N 3.12Å; G472-Y474 PolarHBondContact O-N 3.25Å |
| 473 | V | 94.3 | Very high | 92 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 126.3 | 176.5 | -179.6 | 0 | 0 | 0 | 0 | 109.8 | I368 F374 P375 I415 L422 T466 N471 | I368-V473 HydrophobicContact CD1-CG1 3.3Å; F374-V473 PolarHBondContact N-O 3.27Å; P375-V473 HydrophobicContact CG-CB 4.13Å; P375-V473 HydrophobicContact CG-CG1 4.36Å; P375-V473 HydrophobicContact CG-CG2 4.27Å; I415-V473 HydrophobicContact CD1-CG2 4.5Å; I415-V473 HydrophobicContact CG2-CB 4.15Å; I415-V473 HydrophobicContact CG2-CG1 4Å; I415-V473 HydrophobicContact CG2-CG2 3.97Å; L422-V473 HydrophobicContact CD1-CG2 3.41Å; L422-V473 VanDerWaalsContact CD1-CG2 3.41Å; T466-V473 HydrophobicContact CG2-CG2 3.51Å; N471-V473 PolarHBondContact O-N 3.44Å |
| 474 | Y | 94.3 | Very high | 92 | Very high | 39 Ų | 39 | 46.4 Ų | 46.4 | 15% | 0.153 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142.8 | -175.5 | -176.4 | -102.7 | 0 | 0 | 0 | 112.2 | S373 F374 T416 R418 G472 S476 D479 S481 | S373-Y474 VanDerWaalsContact OG-CD2 3.25Å; S373-Y474 WeakPolarHBondContact OG-CD2 3.39Å; F374-Y474 HydrophobicContact CE2-CD2 4.37Å; F374-Y474 HydrophobicContact CZ-CD2 4.2Å; T416-Y474 HydrophobicContact CG2-CD1 3.88Å; T416-Y474 WeakPolarHBondContact O-CB 3.31Å; T416-Y474 PolarHBondContact O-N 3.03Å; R418-Y474 HydrophobicContact CB-CD1 4.32Å; R418-Y474 HydrophobicContact CB-CD2 4.15Å; R418-Y474 HydrophobicContact CB-CG 3.83Å; R418-Y474 PolarHBondContact NH1-OH 3.48Å; R418-Y474 VanDerWaalsContact NH1-OH 3.08Å; G472-Y474 PolarHBondContact O-N 3.25Å; Y474-S476 WeakPolarHBondContact OH-CB 3.47Å; Y474-D479 HydrophobicContact CD1-CB 4.17Å; Y474-D479 HydrophobicContact CE1-CB 4.11Å; Y474-D479 WeakPolarHBondContact CE1-OD2 3.48Å; Y474-S481 WeakPolarHBondContact O-CB 3.29Å; Y474-S481 PolarHBondContact O-OG 3.25Å |
| 475 | A | 93.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.017 | 23% | 0.231 | C | C | . | . | trans | -146.7 | 137.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I368 S373 D479 | I368-A475 HydrophobicContact CB-CB 3.77Å; I368-A475 HydrophobicContact CG2-CB 3.81Å; I368-A475 WeakPolarHBondContact O-CB 3.4Å; S373-A475 PolarHBondContact OG-N 3.42Å; S373-A475 PolarHBondContact OG-O 3.01Å; A475-D479 CarbonylContact C-O 3.56Å; A475-D479 WeakPolarHBondContact CA-O 3.33Å | ||
| 476 | S | 92.3 | Very high | 92.3 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | trans | -133.1 | -172.1 | -179.4 | 84.4 | 0 | 0 | 0 | 0 | 109.8 | P370 Y474 E478 D479 | P370-S476 WeakPolarHBondContact CG-O 3.46Å; Y474-S476 WeakPolarHBondContact OH-CB 3.47Å; S476-E478 PolarHBondContact O-N 3.4Å; S476-E478 PolarHBondContact OG-N 3.14Å; S476-D479 PolarHBondContact N-O 3.39Å; S476-D479 PolarHBondContact OG-N 3.31Å; S476-D479 PolarHBondContact OG-OD2 3.42Å | ||
| 477 | S | 89.9 | Confident | 92.6 | Very high | 108 Ų | 108 | 51 Ų | 51 | 76% | 0.755 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -69.9 | -17.7 | 170 | 45.4 | 0 | 0 | 0 | 0 | 113 | ||
| 478 | E | 90.1 | Very high | 93 | Very high | 172 Ų | 172 | 52.5 Ų | 52.5 | 80% | 0.804 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -114.1 | -22.8 | -174.7 | -61.6 | 178.1 | 173.1 | 0 | 0 | 112.1 | S476 | S476-E478 PolarHBondContact O-N 3.4Å; S476-E478 PolarHBondContact OG-N 3.14Å |
| 479 | D | 92.6 | Very high | 93.9 | Very high | 44 Ų | 44 | 50.3 Ų | 50.3 | 24% | 0.235 | 25% | 0.254 | C | S | . | . | trans | -116.7 | 128.7 | -177.4 | -51.3 | -72.9 | 0 | 0 | 0 | 111 | T416 Y474 A475 S476 | T416-D479 HydrophobicContact CG2-CB 4.19Å; Y474-D479 HydrophobicContact CD1-CB 4.17Å; Y474-D479 HydrophobicContact CE1-CB 4.11Å; Y474-D479 WeakPolarHBondContact CE1-OD2 3.48Å; A475-D479 CarbonylContact C-O 3.56Å; A475-D479 WeakPolarHBondContact CA-O 3.33Å; S476-D479 PolarHBondContact N-O 3.39Å; S476-D479 PolarHBondContact OG-N 3.31Å; S476-D479 PolarHBondContact OG-OD2 3.42Å | ||
| 480 | D | 95.1 | Very high | 94.6 | Very high | 52 Ų | 52 | 47 Ų | 47 | 28% | 0.278 | 24% | 0.24 | S | C | . | . | trans | -107.6 | 144.7 | 178.1 | -83.2 | -49.4 | 0 | 0 | 0 | 111.6 | K385 T416 I482 | K385-D480 VanDerWaalsContact NZ-CG 3.26Å; K385-D480 IonicContact NZ-OD1 3.1Å; K385-D480 PolarHBondContact NZ-OD1 3.1Å; K385-D480 IonicContact NZ-OD2 3.21Å; K385-D480 PolarHBondContact NZ-OD2 3.36Å; T416-D480 PolarHBondContact OG1-O 3.46Å; D480-I482 HydrophobicContact CB-CD1 3.93Å; D480-I482 HydrophobicContact CB-CG1 3.83Å | ||
| 481 | S | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -118.6 | 119.6 | 161 | -76.8 | 0 | 0 | 0 | 0 | 107.8 | G367 I368 H414 T416 Y474 | G367-S481 CarbonylContact C-O 3.54Å; G367-S481 WeakPolarHBondContact CA-O 3.35Å; I368-S481 PolarHBondContact N-O 3.14Å; H414-S481 CarbonylContact O-C 3.57Å; H414-S481 VanDerWaalsContact O-CA 3.32Å; H414-S481 WeakPolarHBondContact O-CA 3.34Å; T416-S481 PolarHBondContact N-OG 2.83Å; Y474-S481 WeakPolarHBondContact O-CB 3.29Å; Y474-S481 PolarHBondContact O-OG 3.25Å | ||
| 482 | I | 97.8 | Very high | 95.1 | Very high | 42 Ų | 42 | 51.4 Ų | 51.4 | 22% | 0.215 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 142.7 | -163.9 | -49.9 | -179.4 | 0 | 0 | 0 | 110.4 | V366 F387 F413 H414 D480 | V366-I482 CarbonylContact O-C 3.59Å; V366-I482 WeakPolarHBondContact O-CA 3.36Å; V366-I482 WeakPolarHBondContact O-CG2 3.28Å; F387-I482 HydrophobicContact CD2-CG2 4.3Å; F387-I482 HydrophobicContact CE2-CD1 4Å; F387-I482 HydrophobicContact CE2-CG1 3.97Å; F387-I482 HydrophobicContact CE2-CG2 4.1Å; F387-I482 HydrophobicContact CZ-CD1 4.19Å; F387-I482 HydrophobicContact CZ-CG1 4.43Å; F413-I482 CarbonylContact C-O 3.57Å; F413-I482 WeakPolarHBondContact CA-O 3.42Å; F413-I482 WeakPolarHBondContact CB-O 3.22Å; H414-I482 PolarHBondContact N-O 3.38Å; H414-I482 PolarHBondContact O-N 2.82Å; D480-I482 HydrophobicContact CB-CD1 3.93Å; D480-I482 HydrophobicContact CB-CG1 3.83Å |
| 483 | F | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 126.7 | 169 | 175.3 | -139 | 0 | 0 | 0 | 109.5 | F364 V366 F383 F394 F411 F413 L426 V462 M464 | F364-F483 AromaticContact CE2-CD1 3.61Å; F364-F483 HydrophobicContact CE2-CD1 3.61Å; F364-F483 HydrophobicContact CE2-CD2 4.41Å; F364-F483 AromaticContact CE2-CE1 3.62Å; F364-F483 HydrophobicContact CE2-CE1 3.62Å; F364-F483 HydrophobicContact CE2-CE2 4.42Å; F364-F483 HydrophobicContact CE2-CG 4.02Å; F364-F483 HydrophobicContact CE2-CZ 4.04Å; F364-F483 HydrophobicContact CZ-CD1 4.04Å; F364-F483 AromaticContact CZ-CE1 3.56Å; F364-F483 HydrophobicContact CZ-CE1 3.56Å; F364-F483 HydrophobicContact CZ-CE2 4.11Å; F364-F483 AromaticContact CZ-CZ 3.6Å; F364-F483 HydrophobicContact CZ-CZ 3.6Å; V366-F483 HydrophobicContact CG2-CB 4.29Å; V366-F483 HydrophobicContact CG2-CD1 4.45Å; V366-F483 WeakPolarHBondContact CG2-O 3.47Å; V366-F483 PolarHBondContact N-O 2.75Å; V366-F483 PolarHBondContact O-N 3.21Å; F383-F483 HydrophobicContact CD1-CB 4.23Å; F383-F483 HydrophobicContact CD2-CB 4.32Å; F383-F483 HydrophobicContact CD2-CD1 4.25Å; F383-F483 HydrophobicContact CE1-CB 3.71Å; F383-F483 HydrophobicContact CE2-CB 3.8Å; F383-F483 AromaticContact CE2-CD1 3.88Å; F383-F483 HydrophobicContact CE2-CD1 3.88Å; F383-F483 HydrophobicContact CE2-CG 4.22Å; F383-F483 HydrophobicContact CZ-CB 3.48Å; F383-F483 VanDerWaalsContact CZ-CB 3.48Å; F383-F483 HydrophobicContact CZ-CD1 4.4Å; F383-F483 HydrophobicContact CZ-CG 4.27Å; F394-F483 AromaticContact CE2-CD1 3.92Å; F394-F483 HydrophobicContact CE2-CD1 3.92Å; F394-F483 AromaticContact CE2-CE1 3.91Å; F394-F483 HydrophobicContact CE2-CE1 3.91Å; F411-F483 HydrophobicContact CB-CE2 4.25Å; F411-F483 AromaticContact CD1-CE2 3.85Å; F411-F483 HydrophobicContact CD1-CE2 3.85Å; F411-F483 AromaticContact CD1-CZ 3.84Å; F411-F483 HydrophobicContact CD1-CZ 3.84Å; F411-F483 HydrophobicContact CE1-CZ 4.38Å; F411-F483 HydrophobicContact CG-CE2 4.47Å; F413-F483 HydrophobicContact CB-CB 4.46Å; F413-F483 HydrophobicContact CB-CD2 4.12Å; L426-F483 HydrophobicContact CD1-CE2 3.63Å; L426-F483 HydrophobicContact CD1-CZ 3.61Å; V462-F483 HydrophobicContact CG1-CZ 4.4Å; M464-F483 HydrophobicContact CG-CD1 4.08Å; M464-F483 HydrophobicContact CG-CD2 4.04Å; M464-F483 HydrophobicContact CG-CE1 4.15Å; M464-F483 HydrophobicContact CG-CE2 4.12Å; M464-F483 HydrophobicContact CG-CG 4.03Å; M464-F483 HydrophobicContact CG-CZ 4.18Å; M464-F483 HydrophobicContact SD-CB 3.87Å; M464-F483 HydrophobicContact SD-CD1 4.31Å; M464-F483 HydrophobicContact SD-CD2 3.67Å; M464-F483 HydrophobicContact SD-CE2 4.28Å; M464-F483 HydrophobicContact SD-CG 3.7Å |
| 484 | S | 98.6 | Very high | 95.3 | Very high | 28 Ų | 28 | 57 Ų | 57 | 20% | 0.196 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 150.2 | -177.2 | -49.5 | 0 | 0 | 0 | 0 | 110.3 | F364 S365 F411 S412 | F364-S484 VanDerWaalsContact O-CA 3.3Å; F364-S484 WeakPolarHBondContact O-CA 3.37Å; S365-S484 PolarHBondContact OG-OG 3.36Å; F411-S484 WeakPolarHBondContact CA-O 3.48Å; S412-S484 PolarHBondContact N-O 3.44Å; S412-S484 PolarHBondContact O-N 3.25Å; S412-S484 VanDerWaalsContact O-O 3.09Å |
| 485 | G | 98.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 146.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | A363 F364 V410 | A363-G485 CarbonylContact C-O 3.49Å; A363-G485 VanDerWaalsContact CA-O 3.23Å; A363-G485 WeakPolarHBondContact CA-O 3.26Å; F364-G485 PolarHBondContact N-O 3.11Å; F364-G485 PolarHBondContact O-N 3.26Å; V410-G485 CarbonylContact O-C 3.46Å; V410-G485 WeakPolarHBondContact O-CA 3.18Å |
| 486 | F | 98.4 | Very high | 95.5 | Very high | 94 Ų | 94 | 61.6 Ų | 61.6 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 150.4 | 177.6 | 63.9 | -88.1 | 0 | 0 | 0 | 112.7 | S362 A363 Y409 V410 L488 | S362-F486 CarbonylContact O-C 3.57Å; S362-F486 WeakPolarHBondContact O-CA 3.31Å; A363-F486 HydrophobicContact CB-CB 3.59Å; Y409-F486 WeakPolarHBondContact CA-O 3.42Å; Y409-F486 VanDerWaalsContact CD1-C 3.49Å; Y409-F486 WeakPolarHBondContact CD1-O 3.5Å; V410-F486 HydrophobicContact CB-CD1 4.35Å; V410-F486 HydrophobicContact CB-CE1 3.83Å; V410-F486 HydrophobicContact CB-CE2 4.16Å; V410-F486 HydrophobicContact CB-CZ 3.72Å; V410-F486 HydrophobicContact CG1-CE1 4Å; V410-F486 HydrophobicContact CG1-CZ 4.09Å; V410-F486 HydrophobicContact CG2-CE2 4.16Å; V410-F486 HydrophobicContact CG2-CZ 3.98Å; V410-F486 PolarHBondContact N-O 2.78Å; V410-F486 PolarHBondContact O-N 3Å; F486-L488 HydrophobicContact CE2-CB 4.5Å; F486-L488 HydrophobicContact CE2-CD1 4.14Å; F486-L488 PolarHBondContact O-N 3.21Å |
| 487 | L | 98.2 | Very high | 95.7 | Very high | 25 Ų | 25 | 64.5 Ų | 64.5 | 13% | 0.131 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 120.1 | 172.2 | 178.7 | 67.1 | 0 | 0 | 0 | 109.6 | K360 S362 H405 Y409 Y489 | K360-L487 HydrophobicContact CB-CD2 4.02Å; S362-L487 PolarHBondContact O-N 3.02Å; H405-L487 HydrophobicContact CB-CD2 4Å; Y409-L487 HydrophobicContact CD1-CB 4.16Å; Y409-L487 HydrophobicContact CD2-CD1 4.07Å; Y409-L487 HydrophobicContact CE1-CB 3.67Å; Y409-L487 HydrophobicContact CE1-CD1 4.19Å; Y409-L487 HydrophobicContact CE2-CD1 3.61Å; L487-Y489 WeakPolarHBondContact CD1-O 3.23Å |
| 488 | L | 97.4 | Very high | 96.1 | Very high | 72 Ų | 72 | 61.4 Ų | 61.4 | 38% | 0.377 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -51 | 176.2 | -176.9 | 66.7 | 0 | 0 | 0 | 111 | V408 V410 F486 | V408-L488 WeakPolarHBondContact O-CA 3.5Å; V408-L488 WeakPolarHBondContact O-CB 3.35Å; V408-L488 PolarHBondContact O-N 3.21Å; V410-L488 HydrophobicContact CG2-CB 4.07Å; V410-L488 HydrophobicContact CG2-CD2 3.92Å; V410-L488 HydrophobicContact CG2-CG 4.44Å; F486-L488 HydrophobicContact CE2-CB 4.5Å; F486-L488 HydrophobicContact CE2-CD1 4.14Å; F486-L488 PolarHBondContact O-N 3.21Å |
| 489 | Y | 96.1 | Very high | 96.6 | Very high | 156 Ų | 156 | 52.8 Ų | 52.8 | 61% | 0.612 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 121.9 | 177.6 | -56.4 | -61.8 | 0 | 0 | 0 | 109.2 | G407 V408 L487 | G407-Y489 CarbonylContact C-O 3.56Å; G407-Y489 VanDerWaalsContact CA-O 3.25Å; G407-Y489 WeakPolarHBondContact CA-O 3.46Å; V408-Y489 HydrophobicContact CB-CD2 4.29Å; V408-Y489 PolarHBondContact N-O 2.93Å; V408-Y489 PolarHBondContact O-N 3.21Å; V408-Y489 VanDerWaalsContact O-N 3.16Å; L487-Y489 WeakPolarHBondContact CD1-O 3.23Å |
| 490 | S | 95.1 | Very high | 96.9 | Very high | 57 Ų | 57 | 53.6 Ų | 53.6 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 144.4 | 167.2 | 63.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 491 | D | 92.2 | Very high | 97.1 | Very high | 116 Ų | 116 | 53.7 Ų | 53.7 | 62% | 0.62 | 27% | 0.27 | S | S | * | . | trans | -59.7 | 0 | 168 | -75.3 | -26.6 | 0 | 0 | 0 | 112.5 | P406 G407 R455 | P406-D491 HydrophobicContact CB-CB 4.46Å; P406-D491 PolarHBondContact O-N 3.32Å; G407-D491 PolarHBondContact N-OD2 3.04Å; R455-D491 IonicContact CZ-OD1 3.37Å; R455-D491 IonicContact NE-OD1 3.78Å; R455-D491 PolarHBondContact NE-OD1 3.21Å; R455-D491 VanDerWaalsContact NE-OD1 3.14Å; R455-D491 IonicContact NE-OD2 3.14Å; R455-D491 IonicContact NH2-OD1 2.8Å; R455-D491 PolarHBondContact NH2-OD1 2.74Å; R455-D491 IonicContact NH2-OD2 3.53Å |
Retrieved 491 of 491 residues in 453.4 ms
(Link to these results)