| 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 | 38.6 | Very low | 41.4 | Very low | 251 Ų | 251 | 157.5 Ų | 157.5 | 100% | 1.236 | 83% | 0.827 | S | S | * | * | 0 | 131.6 | 0 | -76.1 | -180 | -143.4 | 0 | 0 | 107.2 | |||||
| 2 | E | 37.3 | Very low | 41.5 | Very low | 196 Ų | 196 | 157.8 Ų | 157.8 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -82.5 | 171.7 | -166.4 | -69 | 160.4 | 123.4 | 0 | 0 | 114.9 | ||||
| 3 | A | 37.2 | Very low | 41.7 | Very low | 95 Ų | 95 | 159.2 Ų | 159.2 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | 96.9 | 87.9 | 146.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 4 | D | 42.6 | Very low | 41.8 | Very low | 139 Ų | 139 | 160.9 Ų | 160.9 | 74% | 0.743 | 83% | 0.826 | S | S | * | * | 29 | 122.8 | 109.5 | -152.7 | 25.5 | 0 | 0 | 0 | 121.8 | |||||
| 5 | K | 41.8 | Very low | 42 | Very low | 181 Ų | 181 | 159.8 Ų | 159.8 | 79% | 0.787 | 82% | 0.816 | S | S | * | * | 160 | 113.2 | 114.4 | -85.6 | -172.4 | 179.4 | -178.8 | 0 | 116.6 | |||||
| 6 | D | 46.4 | Very low | 42 | Very low | 146 Ų | 146 | 151.9 Ų | 151.9 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | 50.6 | 122.4 | 128.5 | -96.3 | -10.9 | 0 | 0 | 0 | 126.4 | |||||
| 7 | N | 42.5 | Very low | 42.5 | Very low | 117 Ų | 117 | 149.4 Ų | 149.4 | 63% | 0.626 | 78% | 0.782 | S | S | * | * | 75.7 | 119.9 | 115.1 | -151 | 10.2 | 0 | 0 | 0 | 121.5 | |||||
| 8 | T | 39.4 | Very low | 42.8 | Very low | 145 Ų | 145 | 149.3 Ų | 149.3 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -156.1 | 135 | 131 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 9 | Q | 42.3 | Very low | 43.1 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | -75.5 | 160.1 | -166 | -66.4 | 165.8 | -61.4 | 0 | 0 | 117 | ||||
| 10 | Q | 49.2 | Very low | 43.4 | Very low | 172 Ų | 172 | 148.5 Ų | 148.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -28.8 | 143.1 | 147.9 | -69.6 | 164.7 | -35.7 | 0 | 0 | 115.5 | ||||
| 11 | V | 38.2 | Very low | 43.9 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | trans | -147.2 | 99.7 | 130.3 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | K13 | V11-K13 HydrophobicContact CG1-CG 4.06Š| ||
| 12 | L | 42.7 | Very low | 44.7 | Very low | 161 Ų | 161 | 140 Ų | 140 | 84% | 0.843 | 72% | 0.716 | S | S | * | * | trans | -78.3 | 117.6 | 151.4 | -90 | 137.9 | 0 | 0 | 0 | 106.6 | E14 | L12-E14 PolarHBondContact O-N 3.47Š| ||
| 13 | K | 44.1 | Very low | 45.8 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 77% | 0.765 | 70% | 0.701 | S | S | * | * | trans | -80.5 | 93.4 | 168.9 | -85.1 | -172.8 | 175.3 | -176.4 | 0 | 109.1 | V11 H15 | V11-K13 HydrophobicContact CG1-CG 4.06Å; K13-H15 PolarHBondContact O-N 3.45Å | ||
| 14 | E | 42.9 | Very low | 47 | Very low | 183 Ų | 183 | 138.1 Ų | 138.1 | 86% | 0.855 | 70% | 0.695 | S | S | * | * | trans | -62.3 | 117.2 | 160.7 | -72.7 | -179 | 151.9 | 0 | 0 | 109.3 | L12 | L12-E14 PolarHBondContact O-N 3.47Š| ||
| 15 | H | 45.2 | Very low | 48.1 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 67% | 0.671 | 68% | 0.684 | S | S | * | * | trans | -89.3 | 108.9 | 160.2 | -71.2 | 48.5 | 0 | 0 | 0 | 106.1 | K13 | K13-H15 PolarHBondContact O-N 3.45Š| ||
| 16 | G | 41.6 | Very low | 49.3 | Very low | 34 Ų | 34 | 132.6 Ų | 132.6 | 35% | 0.351 | 67% | 0.671 | S | S | . | * | trans | -76 | 159.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | H18 | G16-H18 PolarHBondContact O-N 2.94Š| ||
| 17 | P | 50.6 | Low | 50.6 | Low | 108 Ų | 108 | 132.3 Ų | 132.3 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -0.5 | 177.4 | 25.5 | -33.6 | 0 | 0 | 0 | 114.7 | I21 | P17-I21 WeakPolarHBondContact O-CD1 3.08Å; P17-I21 WeakPolarHBondContact O-CG1 3.45Å |
| 18 | H | 48 | Very low | 52.2 | Low | 149 Ų | 149 | 133.3 Ų | 133.3 | 69% | 0.69 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -82.9 | -19.8 | -174.5 | -140.5 | -48.6 | 0 | 0 | 0 | 113.9 | G16 | G16-H18 PolarHBondContact O-N 2.94Å |
| 19 | E | 48.3 | Very low | 54 | Low | 121 Ų | 121 | 131.9 Ų | 131.9 | 57% | 0.565 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -79 | -43.6 | 175.5 | -106.3 | 170.8 | 168.1 | 0 | 0 | 111.7 | I21 K22 D23 | E19-I21 PolarHBondContact O-N 3.07Å; E19-K22 PolarHBondContact O-N 3.03Å; E19-D23 PolarHBondContact O-N 3.1Å |
| 20 | F | 49.3 | Very low | 55.7 | Low | 160 Ų | 160 | 127.6 Ų | 127.6 | 70% | 0.702 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.7 | -37.5 | -178.6 | -80.3 | -87.7 | 0 | 0 | 0 | 114 | K22 D23 E24 | F20-K22 VanDerWaalsContact C-N 3.35Å; F20-D23 PolarHBondContact O-N 3.04Å; F20-E24 PolarHBondContact O-N 3.15Å |
| 21 | I | 54.4 | Low | 57.4 | Low | 95 Ų | 95 | 124 Ų | 124 | 49% | 0.487 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70.9 | -32.2 | -179.5 | -61.4 | 170.5 | 0 | 0 | 0 | 111.4 | P17 E19 Q25 | P17-I21 WeakPolarHBondContact O-CD1 3.08Å; P17-I21 WeakPolarHBondContact O-CG1 3.45Å; E19-I21 PolarHBondContact O-N 3.07Å; I21-Q25 WeakPolarHBondContact O-CG 3.48Å; I21-Q25 PolarHBondContact O-N 3.31Å |
| 22 | K | 55.5 | Low | 59.6 | Low | 126 Ų | 126 | 122.9 Ų | 122.9 | 55% | 0.548 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70 | -37.7 | 175.3 | -96.7 | 179.6 | 173.4 | 179.1 | 0 | 112 | E19 F20 N26 | E19-K22 PolarHBondContact O-N 3.03Å; F20-K22 VanDerWaalsContact C-N 3.35Å; K22-N26 VanDerWaalsContact O-CB 3.23Å; K22-N26 WeakPolarHBondContact O-CB 3.23Å; K22-N26 PolarHBondContact O-N 2.7Å; K22-N26 PolarHBondContact O-ND2 3.19Å; K22-N26 VanDerWaalsContact O-ND2 3.13Å |
| 23 | D | 59.3 | Low | 61.5 | Low | 110 Ų | 110 | 120.5 Ų | 120.5 | 59% | 0.588 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.4 | -36.1 | 178.9 | -79.6 | -13.1 | 0 | 0 | 0 | 112.4 | E19 F20 K27 | E19-D23 PolarHBondContact O-N 3.1Å; F20-D23 PolarHBondContact O-N 3.04Å; D23-K27 VanDerWaalsContact O-CB 3.26Å; D23-K27 WeakPolarHBondContact O-CB 3.37Å; D23-K27 PolarHBondContact O-N 2.76Å |
| 24 | E | 63.5 | Low | 63.5 | Low | 142 Ų | 142 | 115.4 Ų | 115.4 | 66% | 0.664 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.2 | -42.9 | 177.3 | -161.4 | 162.5 | -148.1 | 0 | 0 | 112 | F20 K27 E28 | F20-E24 PolarHBondContact O-N 3.15Å; E24-K27 PolarHBondContact O-N 3.07Å; E24-E28 PolarHBondContact O-N 2.77Å |
| 25 | Q | 64.9 | Low | 65.8 | Low | 110 Ų | 110 | 113.1 Ų | 113.1 | 51% | 0.514 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.4 | -39.1 | 173.7 | -73.5 | -179.8 | -19.6 | 0 | 0 | 112.8 | I21 K27 L29 | I21-Q25 WeakPolarHBondContact O-CG 3.48Å; I21-Q25 PolarHBondContact O-N 3.31Å; Q25-K27 VanDerWaalsContact C-N 3.34Å; Q25-L29 WeakPolarHBondContact O-CD1 3.12Å; Q25-L29 PolarHBondContact O-N 2.94Å; Q25-L29 VanDerWaalsContact O-N 3.08Å |
| 26 | N | 66.6 | Low | 67.8 | Low | 94 Ų | 94 | 111.3 Ų | 111.3 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.1 | -40.5 | 174.7 | -75.9 | -22.6 | 0 | 0 | 0 | 111 | K22 L29 T30 | K22-N26 VanDerWaalsContact O-CB 3.23Å; K22-N26 WeakPolarHBondContact O-CB 3.23Å; K22-N26 PolarHBondContact O-N 2.7Å; K22-N26 PolarHBondContact O-ND2 3.19Å; K22-N26 VanDerWaalsContact O-ND2 3.13Å; N26-L29 PolarHBondContact O-N 3.43Å; N26-T30 PolarHBondContact O-N 2.85Å; N26-T30 PolarHBondContact O-OG1 3.42Å |
| 27 | K | 75.2 | Confident | 69.8 | Low | 140 Ų | 140 | 113.7 Ų | 113.7 | 61% | 0.609 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.6 | -44.5 | 178.1 | -168.2 | 177.3 | 179.6 | -173.9 | 0 | 112 | D23 E24 Q25 L29 T30 D31 | D23-K27 VanDerWaalsContact O-CB 3.26Å; D23-K27 WeakPolarHBondContact O-CB 3.37Å; D23-K27 PolarHBondContact O-N 2.76Å; E24-K27 PolarHBondContact O-N 3.07Å; Q25-K27 VanDerWaalsContact C-N 3.34Å; K27-L29 PolarHBondContact O-N 3.01Å; K27-T30 PolarHBondContact O-N 3.33Å; K27-T30 VanDerWaalsContact O-N 3.13Å; K27-D31 PolarHBondContact O-N 2.85Å |
| 28 | E | 76.1 | Confident | 71.8 | Confident | 138 Ų | 138 | 113.1 Ų | 113.1 | 65% | 0.645 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.3 | -43.6 | 172.8 | -84.3 | -172.5 | 150 | 0 | 0 | 112.4 | E24 T30 D31 E32 | E24-E28 PolarHBondContact O-N 2.77Å; E28-T30 VanDerWaalsContact C-N 3.29Å; E28-T30 PolarHBondContact O-N 3.43Å; E28-D31 PolarHBondContact O-N 2.82Å; E28-E32 PolarHBondContact O-N 3.16Å |
| 29 | L | 76.8 | Confident | 73.8 | Confident | 116 Ų | 116 | 111.1 Ų | 111.1 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62 | -38.3 | 174.5 | -105.3 | 94.7 | 0 | 0 | 0 | 112.2 | Q25 N26 K27 E32 M33 | Q25-L29 WeakPolarHBondContact O-CD1 3.12Å; Q25-L29 PolarHBondContact O-N 2.94Å; Q25-L29 VanDerWaalsContact O-N 3.08Å; N26-L29 PolarHBondContact O-N 3.43Å; K27-L29 PolarHBondContact O-N 3.01Å; L29-E32 PolarHBondContact O-N 3.37Å; L29-M33 VanDerWaalsContact O-CB 3.24Å; L29-M33 WeakPolarHBondContact O-CB 3.46Å; L29-M33 PolarHBondContact O-N 2.83Å |
| 30 | T | 76.8 | Confident | 75.8 | Confident | 70 Ų | 70 | 109.9 Ų | 109.9 | 43% | 0.429 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.5 | -37.6 | -179.7 | -33.8 | 0 | 0 | 0 | 0 | 111 | N26 K27 E28 M33 T34 | N26-T30 PolarHBondContact O-N 2.85Å; N26-T30 PolarHBondContact O-OG1 3.42Å; K27-T30 PolarHBondContact O-N 3.33Å; K27-T30 VanDerWaalsContact O-N 3.13Å; E28-T30 VanDerWaalsContact C-N 3.29Å; E28-T30 PolarHBondContact O-N 3.43Å; T30-M33 PolarHBondContact O-N 3.43Å; T30-T34 WeakPolarHBondContact O-CB 3.38Å; T30-T34 PolarHBondContact O-N 3.38Å; T30-T34 PolarHBondContact O-OG1 2.85Å |
| 31 | D | 84.9 | Confident | 77.7 | Confident | 96 Ų | 96 | 109.3 Ų | 109.3 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.1 | -39.6 | 176.2 | -72.2 | -15 | 0 | 0 | 0 | 111.5 | K27 E28 T34 K35 | K27-D31 PolarHBondContact O-N 2.85Å; E28-D31 PolarHBondContact O-N 2.82Å; D31-T34 VanDerWaalsContact CA-OG1 3.26Å; D31-T34 WeakPolarHBondContact CA-OG1 3.48Å; D31-T34 PolarHBondContact O-OG1 3.3Å; D31-K35 WeakPolarHBondContact O-CB 3.42Å; D31-K35 PolarHBondContact O-N 2.66Å |
| 32 | E | 85.2 | Confident | 79.4 | Confident | 106 Ų | 106 | 110.6 Ų | 110.6 | 50% | 0.495 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 174.1 | -159.7 | -168.7 | 154 | 0 | 0 | 111.7 | E28 L29 K35 K36 | E28-E32 PolarHBondContact O-N 3.16Å; L29-E32 PolarHBondContact O-N 3.37Å; E32-K35 PolarHBondContact O-N 2.81Å; E32-K36 PolarHBondContact O-N 3.17Å; E32-K36 WeakPolarHBondContact OE1-CE 3.21Å; E32-K36 IonicContact OE1-NZ 3.03Å; E32-K36 PolarHBondContact OE1-NZ 2.89Å |
| 33 | M | 82.6 | Confident | 81.1 | Confident | 112 Ų | 112 | 110 Ų | 110 | 55% | 0.552 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.9 | -36.9 | 178.2 | -170 | 174.9 | 66.8 | 0 | 0 | 112.2 | L29 T30 N37 | L29-M33 VanDerWaalsContact O-CB 3.24Å; L29-M33 WeakPolarHBondContact O-CB 3.46Å; L29-M33 PolarHBondContact O-N 2.83Å; T30-M33 PolarHBondContact O-N 3.43Å; M33-N37 WeakPolarHBondContact O-CB 3.39Å; M33-N37 PolarHBondContact O-N 3.22Å; M33-N37 PolarHBondContact O-ND2 3.24Å |
| 34 | T | 86.4 | Confident | 82.4 | Confident | 68 Ų | 68 | 109.1 Ų | 109.1 | 42% | 0.417 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68 | -40.1 | 173.7 | 39.2 | 0 | 0 | 0 | 0 | 111.4 | T30 D31 N37 I38 | T30-T34 WeakPolarHBondContact O-CB 3.38Å; T30-T34 PolarHBondContact O-N 3.38Å; T30-T34 PolarHBondContact O-OG1 2.85Å; D31-T34 VanDerWaalsContact CA-OG1 3.26Å; D31-T34 WeakPolarHBondContact CA-OG1 3.48Å; D31-T34 PolarHBondContact O-OG1 3.3Å; T34-N37 PolarHBondContact O-N 3.21Å; T34-I38 VanDerWaalsContact O-CG1 3.3Å; T34-I38 WeakPolarHBondContact O-CG1 3.46Å; T34-I38 PolarHBondContact O-N 2.95Å |
| 35 | K | 90.1 | Very high | 83.6 | Confident | 136 Ų | 136 | 108.4 Ų | 108.4 | 59% | 0.591 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.6 | -45.6 | 174.1 | -170.7 | 177.6 | -179.6 | -179.4 | 0 | 112.5 | D31 E32 I38 Q39 | D31-K35 WeakPolarHBondContact O-CB 3.42Å; D31-K35 PolarHBondContact O-N 2.66Å; E32-K35 PolarHBondContact O-N 2.81Å; K35-I38 PolarHBondContact O-N 2.87Å; K35-Q39 PolarHBondContact O-N 2.83Å |
| 36 | K | 86.9 | Confident | 84.9 | Confident | 107 Ų | 107 | 109.2 Ų | 109.2 | 47% | 0.465 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 174.8 | -75.2 | 177.6 | -175 | 157.1 | 0 | 112.2 | E32 I38 Q39 L40 | E32-K36 PolarHBondContact O-N 3.17Å; E32-K36 WeakPolarHBondContact OE1-CE 3.21Å; E32-K36 IonicContact OE1-NZ 3.03Å; E32-K36 PolarHBondContact OE1-NZ 2.89Å; K36-I38 VanDerWaalsContact C-N 3.35Å; K36-I38 PolarHBondContact O-N 3.16Å; K36-Q39 PolarHBondContact O-N 3.03Å; K36-L40 WeakPolarHBondContact O-CB 3.28Å; K36-L40 WeakPolarHBondContact O-CG 3.43Å; K36-L40 PolarHBondContact O-N 3.46Å |
| 37 | N | 84.4 | Confident | 85.8 | Confident | 84 Ų | 84 | 109.4 Ų | 109.4 | 45% | 0.449 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 176 | -88.4 | -64.5 | 0 | 0 | 0 | 112.9 | M33 T34 K41 | M33-N37 WeakPolarHBondContact O-CB 3.39Å; M33-N37 PolarHBondContact O-N 3.22Å; M33-N37 PolarHBondContact O-ND2 3.24Å; T34-N37 PolarHBondContact O-N 3.21Å; N37-K41 WeakPolarHBondContact O-CB 3.48Å; N37-K41 WeakPolarHBondContact O-CG 3.39Å; N37-K41 PolarHBondContact O-N 2.75Å |
| 38 | I | 92.6 | Very high | 85.9 | Confident | 95 Ų | 95 | 108.3 Ų | 108.3 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.5 | -47.9 | 175.4 | -68.6 | 163.8 | 0 | 0 | 0 | 109.8 | T34 K35 K36 L40 K41 E42 | T34-I38 VanDerWaalsContact O-CG1 3.3Å; T34-I38 WeakPolarHBondContact O-CG1 3.46Å; T34-I38 PolarHBondContact O-N 2.95Å; K35-I38 PolarHBondContact O-N 2.87Å; K36-I38 VanDerWaalsContact C-N 3.35Å; K36-I38 PolarHBondContact O-N 3.16Å; I38-L40 PolarHBondContact O-N 2.91Å; I38-K41 PolarHBondContact O-N 2.73Å; I38-K41 VanDerWaalsContact O-N 3.17Å; I38-E42 WeakPolarHBondContact O-CG 3.25Å; I38-E42 PolarHBondContact O-N 2.72Å |
| 39 | Q | 90.6 | Very high | 86 | Confident | 108 Ų | 108 | 104.6 Ų | 104.6 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59 | -45.3 | 177 | -75.2 | -179.5 | -28 | 0 | 0 | 112.5 | K35 K36 K41 E42 E43 | K35-Q39 PolarHBondContact O-N 2.83Å; K36-Q39 PolarHBondContact O-N 3.03Å; Q39-K41 VanDerWaalsContact C-N 3.32Å; Q39-K41 PolarHBondContact O-N 3.01Å; Q39-E42 PolarHBondContact O-N 2.83Å; Q39-E43 WeakPolarHBondContact O-CB 3.47Å; Q39-E43 PolarHBondContact O-N 3.37Å |
| 40 | L | 89.6 | Confident | 86.1 | Confident | 95 Ų | 95 | 103.2 Ų | 103.2 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 177.2 | -75.7 | 168.1 | 0 | 0 | 0 | 111.9 | K36 I38 E43 I44 | K36-L40 WeakPolarHBondContact O-CB 3.28Å; K36-L40 WeakPolarHBondContact O-CG 3.43Å; K36-L40 PolarHBondContact O-N 3.46Å; I38-L40 PolarHBondContact O-N 2.91Å; L40-E43 PolarHBondContact O-N 2.92Å; L40-I44 WeakPolarHBondContact O-CB 3.28Å; L40-I44 WeakPolarHBondContact O-CG1 3.46Å; L40-I44 PolarHBondContact O-N 2.83Å |
| 41 | K | 89.5 | Confident | 85.9 | Confident | 148 Ų | 148 | 105.5 Ų | 105.5 | 64% | 0.643 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.2 | -41.5 | 174.9 | -82.8 | -177.7 | 175.8 | -174.9 | 0 | 112.3 | N37 I38 Q39 E43 I44 Q45 | N37-K41 WeakPolarHBondContact O-CB 3.48Å; N37-K41 WeakPolarHBondContact O-CG 3.39Å; N37-K41 PolarHBondContact O-N 2.75Å; I38-K41 PolarHBondContact O-N 2.73Å; I38-K41 VanDerWaalsContact O-N 3.17Å; Q39-K41 VanDerWaalsContact C-N 3.32Å; Q39-K41 PolarHBondContact O-N 3.01Å; K41-E43 VanDerWaalsContact C-N 3.34Å; K41-I44 PolarHBondContact O-N 3.49Å; K41-Q45 VanDerWaalsContact O-CB 3.31Å; K41-Q45 WeakPolarHBondContact O-CB 3.13Å; K41-Q45 PolarHBondContact O-N 3.29Å |
| 42 | E | 90.1 | Very high | 84.9 | Confident | 121 Ų | 121 | 106.1 Ų | 106.1 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -40.9 | 175.5 | -71.7 | 172.9 | 172.4 | 0 | 0 | 111.3 | I38 Q39 Q45 K46 | I38-E42 WeakPolarHBondContact O-CG 3.25Å; I38-E42 PolarHBondContact O-N 2.72Å; Q39-E42 PolarHBondContact O-N 2.83Å; E42-Q45 PolarHBondContact O-N 3.27Å; E42-K46 WeakPolarHBondContact O-CB 3.46Å; E42-K46 PolarHBondContact O-N 3.25Å |
| 43 | E | 90.7 | Very high | 83.8 | Confident | 115 Ų | 115 | 106.7 Ų | 106.7 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 177.3 | -166.7 | 169.8 | -168.3 | 0 | 0 | 112.1 | Q39 L40 K41 K46 L47 | Q39-E43 WeakPolarHBondContact O-CB 3.47Å; Q39-E43 PolarHBondContact O-N 3.37Å; L40-E43 PolarHBondContact O-N 2.92Å; K41-E43 VanDerWaalsContact C-N 3.34Å; E43-K46 PolarHBondContact O-N 3.08Å; E43-L47 HydrophobicContact CG-CD1 4.32Å; E43-L47 WeakPolarHBondContact O-CB 3.16Å; E43-L47 VanDerWaalsContact O-CG 3.31Å; E43-L47 WeakPolarHBondContact O-CG 3.22Å; E43-L47 PolarHBondContact O-N 2.96Å |
| 44 | I | 87.8 | Confident | 82.6 | Confident | 90 Ų | 90 | 103.3 Ų | 103.3 | 46% | 0.462 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.3 | -49.1 | 172.2 | -71.6 | 166.1 | 0 | 0 | 0 | 110 | L40 K41 K46 L47 E48 | L40-I44 WeakPolarHBondContact O-CB 3.28Å; L40-I44 WeakPolarHBondContact O-CG1 3.46Å; L40-I44 PolarHBondContact O-N 2.83Å; K41-I44 PolarHBondContact O-N 3.49Å; I44-K46 VanDerWaalsContact C-N 3.3Å; I44-K46 PolarHBondContact O-N 3.27Å; I44-L47 PolarHBondContact O-N 2.91Å; I44-E48 HydrophobicContact CG2-CG 4.22Å; I44-E48 WeakPolarHBondContact O-CB 3.49Å; I44-E48 VanDerWaalsContact O-CG 3.31Å; I44-E48 WeakPolarHBondContact O-CG 3.31Å; I44-E48 PolarHBondContact O-N 2.81Å |
| 45 | Q | 87.9 | Confident | 81 | Confident | 127 Ų | 127 | 104.3 Ų | 104.3 | 59% | 0.593 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.6 | -36.3 | -178.3 | -168 | 176.7 | 0.9 | 0 | 0 | 111.9 | K41 E42 T49 | K41-Q45 VanDerWaalsContact O-CB 3.31Å; K41-Q45 WeakPolarHBondContact O-CB 3.13Å; K41-Q45 PolarHBondContact O-N 3.29Å; E42-Q45 PolarHBondContact O-N 3.27Å; Q45-T49 WeakPolarHBondContact O-CB 3.4Å; Q45-T49 PolarHBondContact O-N 3.45Å; Q45-T49 PolarHBondContact O-OG1 3.34Å |
| 46 | K | 91.7 | Very high | 79.1 | Confident | 127 Ų | 127 | 106.9 Ų | 106.9 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.1 | -49.5 | 173.5 | -174.5 | -179.1 | -178.3 | -91.4 | 0 | 111.2 | E42 E43 I44 E48 T49 E50 | E42-K46 WeakPolarHBondContact O-CB 3.46Å; E42-K46 PolarHBondContact O-N 3.25Å; E43-K46 PolarHBondContact O-N 3.08Å; I44-K46 VanDerWaalsContact C-N 3.3Å; I44-K46 PolarHBondContact O-N 3.27Å; K46-E48 PolarHBondContact O-N 2.83Å; K46-T49 PolarHBondContact O-N 2.76Å; K46-E50 WeakPolarHBondContact CE-OE1 3.48Å; K46-E50 IonicContact NZ-OE1 3.48Å; K46-E50 PolarHBondContact NZ-OE1 3.4Å; K46-E50 WeakPolarHBondContact O-CG 3.29Å; K46-E50 PolarHBondContact O-N 2.98Å |
| 47 | L | 84.9 | Confident | 77.2 | Confident | 98 Ų | 98 | 109.8 Ų | 109.8 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 178.7 | -71.9 | 168.8 | 0 | 0 | 0 | 112.2 | E43 I44 T49 E50 L51 | E43-L47 HydrophobicContact CG-CD1 4.32Å; E43-L47 WeakPolarHBondContact O-CB 3.16Å; E43-L47 VanDerWaalsContact O-CG 3.31Å; E43-L47 WeakPolarHBondContact O-CG 3.22Å; E43-L47 PolarHBondContact O-N 2.96Å; I44-L47 PolarHBondContact O-N 2.91Å; L47-T49 VanDerWaalsContact C-N 3.32Å; L47-E50 PolarHBondContact O-N 3.48Å; L47-L51 VanDerWaalsContact O-CB 3.26Å; L47-L51 WeakPolarHBondContact O-CB 3.45Å; L47-L51 PolarHBondContact O-N 2.99Å |
| 48 | E | 78.1 | Confident | 75.4 | Confident | 117 Ų | 117 | 110.8 Ų | 110.8 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 173.8 | -76.3 | 177.6 | 165.5 | 0 | 0 | 111.7 | I44 K46 L51 Q52 | I44-E48 HydrophobicContact CG2-CG 4.22Å; I44-E48 WeakPolarHBondContact O-CB 3.49Å; I44-E48 VanDerWaalsContact O-CG 3.31Å; I44-E48 WeakPolarHBondContact O-CG 3.31Å; I44-E48 PolarHBondContact O-N 2.81Å; K46-E48 PolarHBondContact O-N 2.83Å; E48-L51 PolarHBondContact O-N 2.87Å; E48-Q52 WeakPolarHBondContact O-CB 3.49Å; E48-Q52 PolarHBondContact O-N 3.02Å |
| 49 | T | 78.8 | Confident | 73 | Confident | 61 Ų | 61 | 114 Ų | 114 | 37% | 0.374 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69 | -46.3 | 177.3 | -52.6 | 0 | 0 | 0 | 0 | 111 | Q45 K46 L47 L51 Q52 E53 | Q45-T49 WeakPolarHBondContact O-CB 3.4Å; Q45-T49 PolarHBondContact O-N 3.45Å; Q45-T49 PolarHBondContact O-OG1 3.34Å; K46-T49 PolarHBondContact O-N 2.76Å; L47-T49 VanDerWaalsContact C-N 3.32Å; T49-L51 VanDerWaalsContact C-N 3.29Å; T49-L51 PolarHBondContact O-N 2.78Å; T49-Q52 PolarHBondContact O-N 3.01Å; T49-Q52 VanDerWaalsContact O-N 3.16Å; T49-E53 HydrophobicContact CG2-CG 4.47Å; T49-E53 WeakPolarHBondContact O-CB 3.24Å; T49-E53 WeakPolarHBondContact O-CG 3.44Å; T49-E53 PolarHBondContact O-N 3.07Å |
| 50 | E | 78.4 | Confident | 71.1 | Confident | 87 Ų | 87 | 112 Ų | 112 | 41% | 0.407 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.4 | -41.2 | 174.2 | -75.9 | 176.5 | -168.9 | 0 | 0 | 111.5 | K46 L47 A54 | K46-E50 WeakPolarHBondContact CE-OE1 3.48Å; K46-E50 IonicContact NZ-OE1 3.48Å; K46-E50 PolarHBondContact NZ-OE1 3.4Å; K46-E50 WeakPolarHBondContact O-CG 3.29Å; K46-E50 PolarHBondContact O-N 2.98Å; L47-E50 PolarHBondContact O-N 3.48Å; E50-A54 VanDerWaalsContact O-CB 3.3Å; E50-A54 WeakPolarHBondContact O-CB 3.26Å; E50-A54 PolarHBondContact O-N 3.35Å |
| 51 | L | 71.7 | Confident | 69 | Low | 118 Ų | 118 | 116.7 Ų | 116.7 | 62% | 0.618 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.3 | -42.9 | 175.8 | -175.8 | 65.6 | 0 | 0 | 0 | 111.6 | L47 E48 T49 T55 | L47-L51 VanDerWaalsContact O-CB 3.26Å; L47-L51 WeakPolarHBondContact O-CB 3.45Å; L47-L51 PolarHBondContact O-N 2.99Å; E48-L51 PolarHBondContact O-N 2.87Å; T49-L51 VanDerWaalsContact C-N 3.29Å; T49-L51 PolarHBondContact O-N 2.78Å; L51-T55 WeakPolarHBondContact O-CB 3.25Å; L51-T55 PolarHBondContact O-N 3.2Å; L51-T55 PolarHBondContact O-OG1 3.44Å |
| 52 | Q | 65.5 | Low | 67.2 | Low | 109 Ų | 109 | 113.7 Ų | 113.7 | 51% | 0.509 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.9 | -37.6 | 179.5 | -169.4 | 177 | 8 | 0 | 0 | 112.4 | E48 T49 T55 R56 | E48-Q52 WeakPolarHBondContact O-CB 3.49Å; E48-Q52 PolarHBondContact O-N 3.02Å; T49-Q52 PolarHBondContact O-N 3.01Å; T49-Q52 VanDerWaalsContact O-N 3.16Å; Q52-T55 PolarHBondContact O-N 3.13Å; Q52-R56 PolarHBondContact O-N 2.81Å; Q52-R56 VanDerWaalsContact O-N 3.1Å |
| 53 | E | 61.3 | Low | 65.2 | Low | 118 Ų | 118 | 115.9 Ų | 115.9 | 55% | 0.551 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.2 | -48.4 | 173.6 | -75.6 | -178.2 | 169.2 | 0 | 0 | 111 | T49 T55 R56 E57 | T49-E53 HydrophobicContact CG2-CG 4.47Å; T49-E53 WeakPolarHBondContact O-CB 3.24Å; T49-E53 WeakPolarHBondContact O-CG 3.44Å; T49-E53 PolarHBondContact O-N 3.07Å; E53-T55 VanDerWaalsContact C-N 3.26Å; E53-T55 PolarHBondContact O-N 2.9Å; E53-R56 PolarHBondContact O-N 3.3Å; E53-R56 VanDerWaalsContact O-N 3.1Å; E53-E57 PolarHBondContact O-N 3.24Å |
| 54 | A | 57.9 | Low | 63.3 | Low | 41 Ų | 41 | 115.2 Ų | 115.2 | 34% | 0.339 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -55.2 | -44.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | E50 R56 E57 F58 | E50-A54 VanDerWaalsContact O-CB 3.3Å; E50-A54 WeakPolarHBondContact O-CB 3.26Å; E50-A54 PolarHBondContact O-N 3.35Å; A54-R56 VanDerWaalsContact C-N 3.29Å; A54-R56 PolarHBondContact O-N 2.95Å; A54-E57 PolarHBondContact O-N 3.41Å; A54-E57 VanDerWaalsContact O-N 3.17Å; A54-F58 HydrophobicContact CB-CE2 4.19Å; A54-F58 WeakPolarHBondContact O-CD2 3.45Å; A54-F58 WeakPolarHBondContact O-CE2 3.34Å |
| 55 | T | 52.1 | Low | 61.4 | Low | 89 Ų | 89 | 114.9 Ų | 114.9 | 55% | 0.546 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60 | -35 | 179.5 | -51.3 | 0 | 0 | 0 | 0 | 112.9 | L51 Q52 E53 | L51-T55 WeakPolarHBondContact O-CB 3.25Å; L51-T55 PolarHBondContact O-N 3.2Å; L51-T55 PolarHBondContact O-OG1 3.44Å; Q52-T55 PolarHBondContact O-N 3.13Å; E53-T55 VanDerWaalsContact C-N 3.26Å; E53-T55 PolarHBondContact O-N 2.9Å |
| 56 | R | 49.6 | Very low | 59.6 | Low | 190 Ų | 190 | 118.6 Ų | 118.6 | 72% | 0.717 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -74.5 | -25.8 | 179 | -78.4 | 178.3 | 176 | 174.9 | 1.9 | 113.5 | Q52 E53 A54 | Q52-R56 PolarHBondContact O-N 2.81Å; Q52-R56 VanDerWaalsContact O-N 3.1Å; E53-R56 PolarHBondContact O-N 3.3Å; E53-R56 VanDerWaalsContact O-N 3.1Å; A54-R56 VanDerWaalsContact C-N 3.29Å; A54-R56 PolarHBondContact O-N 2.95Å |
| 57 | E | 47.1 | Very low | 57.7 | Low | 168 Ų | 168 | 116.7 Ų | 116.7 | 79% | 0.785 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -81.3 | -11 | 178.9 | -68.4 | -169 | 169.3 | 0 | 0 | 113.8 | E53 A54 Q59 | E53-E57 PolarHBondContact O-N 3.24Å; A54-E57 PolarHBondContact O-N 3.41Å; A54-E57 VanDerWaalsContact O-N 3.17Å; E57-Q59 PolarHBondContact O-N 3.14Å |
| 58 | F | 47.7 | Very low | 55.9 | Low | 104 Ų | 104 | 121.9 Ų | 121.9 | 46% | 0.456 | 60% | 0.597 | S | S | . | * | trans | -78.2 | 59.4 | 177.6 | -66.3 | -76.1 | 0 | 0 | 0 | 113 | A54 I60 | A54-F58 HydrophobicContact CB-CE2 4.19Å; A54-F58 WeakPolarHBondContact O-CD2 3.45Å; A54-F58 WeakPolarHBondContact O-CE2 3.34Å; F58-I60 VanDerWaalsContact C-N 3.29Å; F58-I60 HydrophobicContact CB-CG1 4.32Å; F58-I60 HydrophobicContact CD1-CD1 3.97Å; F58-I60 HydrophobicContact CD1-CG1 4.07Å; F58-I60 PolarHBondContact O-N 2.93Å | ||
| 59 | Q | 41.6 | Very low | 54.5 | Low | 163 Ų | 163 | 121.9 Ų | 121.9 | 76% | 0.762 | 60% | 0.598 | S | S | * | * | trans | -84.2 | 85 | 146.6 | -71.5 | -173.5 | 21.1 | 0 | 0 | 107.1 | E57 K61 | E57-Q59 PolarHBondContact O-N 3.14Å; Q59-K61 PolarHBondContact O-N 2.81Å | ||
| 60 | I | 50.3 | Low | 53 | Low | 66 Ų | 66 | 127.9 Ų | 127.9 | 34% | 0.338 | 62% | 0.619 | S | S | . | * | trans | -70.4 | 100.2 | 175.8 | -57.7 | -168.9 | 0 | 0 | 0 | 107.7 | F58 E62 V146 Y246 | F58-I60 VanDerWaalsContact C-N 3.29Å; F58-I60 HydrophobicContact CB-CG1 4.32Å; F58-I60 HydrophobicContact CD1-CD1 3.97Å; F58-I60 HydrophobicContact CD1-CG1 4.07Å; F58-I60 PolarHBondContact O-N 2.93Å; I60-E62 HydrophobicContact CG2-CB 4.07Å; I60-E62 HydrophobicContact CG2-CG 3.64Å; I60-V146 HydrophobicContact CD1-CG1 3.59Å; I60-Y246 VanDerWaalsContact CD1-OH 3.31Å; I60-Y246 WeakPolarHBondContact CD1-OH 3.5Å | ||
| 61 | K | 47 | Very low | 51.6 | Low | 193 Ų | 193 | 130.7 Ų | 130.7 | 84% | 0.839 | 64% | 0.636 | S | S | * | * | trans | -91 | 86.4 | 162.5 | -75.7 | -174.4 | 177.8 | -178.7 | 0 | 107.3 | Q59 | Q59-K61 PolarHBondContact O-N 2.81Š| ||
| 62 | E | 50.8 | Low | 50.6 | Low | 86 Ų | 86 | 133 Ų | 133 | 40% | 0.402 | 65% | 0.648 | S | S | . | * | trans | -99 | 125.3 | 168.1 | -87.1 | -176.4 | -168.7 | 0 | 0 | 109.3 | I60 I64 S94 V146 | I60-E62 HydrophobicContact CG2-CB 4.07Å; I60-E62 HydrophobicContact CG2-CG 3.64Å; E62-I64 PolarHBondContact O-N 2.88Å; E62-S94 WeakPolarHBondContact OE2-CB 3.49Å; E62-S94 PolarHBondContact OE2-OG 3.26Å; E62-V146 WeakPolarHBondContact OE2-CG2 3.5Å | ||
| 63 | D | 47.5 | Very low | 49.7 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 89% | 0.888 | 65% | 0.652 | S | S | * | * | trans | -71.1 | 109 | 166.4 | -74.4 | -41.6 | 0 | 0 | 0 | 107.9 | P65 | D63-P65 WeakPolarHBondContact O-CD 3.48Š| ||
| 64 | I | 50.7 | Low | 49.2 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 52% | 0.518 | 67% | 0.665 | S | S | . | * | trans | -73.3 | 117.5 | 178.5 | -56.9 | 162.8 | 0 | 0 | 0 | 107.5 | E62 V92 F148 | E62-I64 PolarHBondContact O-N 2.88Å; I64-V92 HydrophobicContact CG2-CG1 4.09Å; I64-F148 HydrophobicContact CD1-CE2 4.01Å; I64-F148 HydrophobicContact CD1-CZ 3.48Å; I64-F148 VanDerWaalsContact CD1-CZ 3.48Å; I64-F148 HydrophobicContact CG1-CZ 4.04Å | ||
| 65 | P | 48.9 | Very low | 49.1 | Very low | 83 Ų | 83 | 138.7 Ų | 138.7 | 54% | 0.539 | 69% | 0.686 | S | S | . | * | trans | -66.2 | 149.3 | -178.3 | 26.5 | -33.4 | 0 | 0 | 0 | 111.3 | D63 T67 | D63-P65 WeakPolarHBondContact O-CD 3.48Å; P65-T67 PolarHBondContact O-N 2.71Å; P65-T67 PolarHBondContact O-OG1 2.66Å | ||
| 66 | E | 49.6 | Very low | 49.1 | Very low | 205 Ų | 205 | 140.1 Ų | 140.1 | 96% | 0.958 | 70% | 0.695 | S | S | * | * | trans | -54.7 | 111.7 | 172 | -73.6 | -172.9 | 176.1 | 0 | 0 | 110 | ||||
| 67 | T | 51.9 | Low | 49.2 | Very low | 87 Ų | 87 | 134.1 Ų | 134.1 | 53% | 0.534 | 68% | 0.68 | S | S | . | * | trans | -113.4 | 128.9 | -173.9 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | P65 M69 | P65-T67 PolarHBondContact O-N 2.71Å; P65-T67 PolarHBondContact O-OG1 2.66Å; T67-M69 PolarHBondContact O-N 3.05Å | ||
| 68 | K | 46.7 | Very low | 49.4 | Very low | 207 Ų | 207 | 135.9 Ų | 135.9 | 90% | 0.9 | 69% | 0.688 | S | S | * | * | trans | -73.3 | 115.1 | 174.8 | -67.7 | -178.1 | -178.6 | 176.2 | 0 | 109.5 | ||||
| 69 | M | 50 | Low | 49.4 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 58% | 0.581 | 69% | 0.693 | S | S | * | * | trans | -90.7 | 141.8 | -175.3 | -64.7 | -178.2 | 175 | 0 | 0 | 112.4 | T67 F90 | T67-M69 PolarHBondContact O-N 3.05Å; M69-F90 HydrophobicContact CE-CB 4.47Å; M69-F90 HydrophobicContact CE-CD1 4.4Å; M69-F90 HydrophobicContact CE-CG 4.25Å; M69-F90 HydrophobicContact SD-CD1 3.6Å; M69-F90 VanDerWaalsContact SD-CD1 3.6Å; M69-F90 HydrophobicContact SD-CE1 3.72Å; M69-F90 HydrophobicContact SD-CG 4.02Å; M69-F90 HydrophobicContact SD-CZ 4.25Å | ||
| 70 | K | 46.6 | Very low | 49.9 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | trans | -106 | 120.5 | 167.7 | -68.4 | 179.7 | -177.2 | 174 | 0 | 108.4 | L72 | K70-L72 PolarHBondContact O-N 2.72Š| ||
| 71 | L | 48.7 | Very low | 50 | Low | 146 Ų | 146 | 136 Ų | 136 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | trans | -74 | 111.7 | 174.7 | -65.8 | 168.6 | 0 | 0 | 0 | 108.5 | F90 | L71-F90 HydrophobicContact CD2-CE1 4.25Š| ||
| 72 | L | 51 | Low | 50 | Low | 166 Ų | 166 | 133.3 Ų | 133.3 | 87% | 0.869 | 70% | 0.698 | S | S | * | * | trans | -83.3 | -33.8 | -172.6 | -68.8 | 171.2 | 0 | 0 | 0 | 113.2 | K70 | K70-L72 PolarHBondContact O-N 2.72Š| ||
| 73 | S | 46.7 | Very low | 49.9 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 59% | 0.594 | 70% | 0.697 | S | S | * | * | trans | -156.4 | 149.6 | -179.2 | 53.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 74 | V | 51.3 | Low | 50.5 | Low | 135 Ų | 135 | 127.7 Ų | 127.7 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -111.2 | 110.6 | 166.3 | 176.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 75 | E | 55 | Low | 51.4 | Low | 168 Ų | 168 | 125.2 Ų | 125.2 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | trans | -94.6 | 111.3 | 174 | -70.1 | 177.6 | -168.8 | 0 | 0 | 108.4 | ||||
| 76 | T | 51.9 | Low | 52.8 | Low | 119 Ų | 119 | 126 Ų | 126 | 73% | 0.73 | 66% | 0.661 | S | S | * | * | trans | -81.1 | 118.3 | 167.1 | 42.2 | 0 | 0 | 0 | 0 | 108.1 | E78 | T76-E78 PolarHBondContact O-N 3.32Š| ||
| 77 | P | 51.7 | Low | 54.1 | Low | 63 Ų | 63 | 119.2 Ų | 119.2 | 41% | 0.409 | 64% | 0.636 | S | S | . | * | trans | -63.2 | 136.9 | -178.6 | 23.5 | -31.3 | 0 | 0 | 0 | 110.8 | N79 Q82 L83 | P77-N79 PolarHBondContact O-N 3.4Å; P77-Q82 HydrophobicContact CB-CB 4.17Å; P77-L83 HydrophobicContact CG-CD2 4.16Å | ||
| 78 | E | 51.1 | Low | 55.1 | Low | 205 Ų | 205 | 117.2 Ų | 117.2 | 96% | 0.958 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -75 | -4.1 | -178.3 | -64.8 | -175.3 | 160.5 | 0 | 0 | 113.6 | T76 | T76-E78 PolarHBondContact O-N 3.32Š|
| 79 | N | 49.2 | Very low | 56.3 | Low | 102 Ų | 102 | 111 Ų | 111 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -135.5 | 128.6 | -170.8 | -139 | -11.9 | 0 | 0 | 0 | 111.9 | P77 S81 Q82 | P77-N79 PolarHBondContact O-N 3.4Å; N79-S81 PolarHBondContact O-N 3.39Å; N79-Q82 PolarHBondContact O-N 2.85Å; N79-Q82 VanDerWaalsContact O-N 3.13Å |
| 80 | D | 51.8 | Low | 57.4 | Low | 142 Ų | 142 | 107.1 Ų | 107.1 | 76% | 0.759 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -60.5 | -18.8 | -175.8 | -77.8 | -26.8 | 0 | 0 | 0 | 113.6 | L83 | D80-L83 HydrophobicContact CB-CD1 4.12Å; D80-L83 WeakPolarHBondContact O-CB 3.46Å; D80-L83 WeakPolarHBondContact O-CD1 3.36Å; D80-L83 WeakPolarHBondContact O-CG 3.44Å; D80-L83 WeakPolarHBondContact OD1-CD1 3.36Å |
| 81 | S | 52.1 | Low | 58.9 | Low | 93 Ų | 93 | 103.7 Ų | 103.7 | 65% | 0.65 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -81.1 | -11.1 | 179.7 | 62.3 | 0 | 0 | 0 | 0 | 115 | N79 | N79-S81 PolarHBondContact O-N 3.39Š|
| 82 | Q | 47.5 | Very low | 60.1 | Low | 136 Ų | 136 | 98 Ų | 98 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -97.6 | 7.3 | 174 | -68 | -175.2 | -1.1 | 0 | 0 | 112.8 | P77 N79 S84 | P77-Q82 HydrophobicContact CB-CB 4.17Å; N79-Q82 PolarHBondContact O-N 2.85Å; N79-Q82 VanDerWaalsContact O-N 3.13Å; Q82-S84 PolarHBondContact O-N 2.72Å; Q82-S84 VanDerWaalsContact O-N 3.11Å |
| 83 | L | 48.4 | Very low | 61.1 | Low | 76 Ų | 76 | 92 Ų | 92 | 40% | 0.398 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 8 | -175.9 | -72.6 | 173.8 | 0 | 0 | 0 | 114.9 | P77 D80 K156 | P77-L83 HydrophobicContact CG-CD2 4.16Å; D80-L83 HydrophobicContact CB-CD1 4.12Å; D80-L83 WeakPolarHBondContact O-CB 3.46Å; D80-L83 WeakPolarHBondContact O-CD1 3.36Å; D80-L83 WeakPolarHBondContact O-CG 3.44Å; D80-L83 WeakPolarHBondContact OD1-CD1 3.36Å; L83-K156 WeakPolarHBondContact O-CD 3.44Å; L83-K156 WeakPolarHBondContact O-CE 3.33Å; L83-K156 PolarHBondContact O-NZ 3.28Å |
| 84 | S | 59.3 | Low | 62.2 | Low | 58 Ų | 58 | 89.1 Ų | 89.1 | 41% | 0.406 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -42.5 | -168.7 | -42.7 | 0 | 0 | 0 | 0 | 113.4 | Q82 K156 | Q82-S84 PolarHBondContact O-N 2.72Å; Q82-S84 VanDerWaalsContact O-N 3.11Å; S84-K156 WeakPolarHBondContact O-CB 3.49Å; S84-K156 WeakPolarHBondContact O-CD 3.29Å; S84-K156 WeakPolarHBondContact O-CG 3.49Å; S84-K156 PolarHBondContact O-N 3.41Å |
| 85 | N | 70.4 | Confident | 63.1 | Low | 49 Ų | 49 | 87.2 Ų | 87.2 | 26% | 0.262 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 153.9 | -174.2 | -64.2 | -23.2 | 0 | 0 | 0 | 111.1 | E153 V154 S155 K156 | N85-E153 HydrophobicContact CB-CG 3.6Å; N85-E153 VanDerWaalsContact CB-OE1 3.27Å; N85-E153 WeakPolarHBondContact CB-OE1 3.38Å; N85-E153 PolarHBondContact ND2-OE1 3Å; N85-V154 CarbonylContact C-O 3.45Å; N85-V154 WeakPolarHBondContact CA-O 3.32Å; N85-V154 WeakPolarHBondContact CB-O 3.39Å; N85-S155 VanDerWaalsContact OD1-CA 3.23Å; N85-S155 WeakPolarHBondContact OD1-CA 3.4Å; N85-S155 PolarHBondContact OD1-OG 3.48Å; N85-K156 PolarHBondContact OD1-N 2.92Å |
| 86 | I | 77.3 | Confident | 63.9 | Low | 100 Ų | 100 | 79.5 Ų | 79.5 | 51% | 0.513 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.9 | 172.7 | -59 | 172.3 | 0 | 0 | 0 | 106.7 | E153 V154 | I86-E153 CarbonylContact O-C 3.47Å; I86-E153 WeakPolarHBondContact O-CA 3.34Å; I86-V154 HydrophobicContact CB-CB 4.38Å; I86-V154 PolarHBondContact N-O 2.91Å; I86-V154 PolarHBondContact O-N 3.4Å |
| 87 | S | 78.3 | Confident | 65 | Low | 61 Ų | 61 | 76.9 Ų | 76.9 | 43% | 0.427 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 148.6 | 176.3 | 70.4 | 0 | 0 | 0 | 0 | 112.3 | Y151 I152 | S87-Y151 VanDerWaalsContact CB-CZ 3.41Å; S87-Y151 WeakPolarHBondContact CB-OH 3.43Å; S87-Y151 PolarHBondContact OG-OH 3.38Å; S87-I152 CarbonylContact C-O 3.59Å; S87-I152 VanDerWaalsContact CA-O 3.22Å; S87-I152 WeakPolarHBondContact CA-O 3.41Å |
| 88 | C | 71.3 | Confident | 66.4 | Low | 46 Ų | 46 | 76 Ų | 76 | 31% | 0.311 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 146.6 | 169.7 | 52.4 | 0 | 0 | 0 | 0 | 109.5 | F90 I152 | C88-F90 HydrophobicContact CB-CE2 3.88Å; C88-F90 HydrophobicContact CB-CZ 3.68Å; C88-F90 WeakPolarHBondContact SG-CE2 3.49Å; C88-F90 WeakPolarHBondContact SG-CZ 3.33Å; C88-I152 PolarHBondContact N-O 2.88Å; C88-I152 PolarHBondContact O-N 3.37Å |
| 89 | S | 73.6 | Confident | 68.1 | Low | 76 Ų | 76 | 71.9 Ų | 71.9 | 53% | 0.531 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 134.2 | 179.5 | 73.3 | 0 | 0 | 0 | 0 | 110.3 | V150 | S89-V150 CarbonylContact C-O 3.53Å; S89-V150 WeakPolarHBondContact CA-O 3.24Å |
| 90 | F | 72.2 | Confident | 69.8 | Low | 37 Ų | 37 | 67 Ų | 67 | 16% | 0.162 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.6 | -178.9 | -48.3 | -85 | 0 | 0 | 0 | 109.2 | M69 L71 C88 Q149 V150 I152 | M69-F90 HydrophobicContact CE-CB 4.47Å; M69-F90 HydrophobicContact CE-CD1 4.4Å; M69-F90 HydrophobicContact CE-CG 4.25Å; M69-F90 HydrophobicContact SD-CD1 3.6Å; M69-F90 VanDerWaalsContact SD-CD1 3.6Å; M69-F90 HydrophobicContact SD-CE1 3.72Å; M69-F90 HydrophobicContact SD-CG 4.02Å; M69-F90 HydrophobicContact SD-CZ 4.25Å; L71-F90 HydrophobicContact CD2-CE1 4.25Å; C88-F90 HydrophobicContact CB-CE2 3.88Å; C88-F90 HydrophobicContact CB-CZ 3.68Å; C88-F90 WeakPolarHBondContact SG-CE2 3.49Å; C88-F90 WeakPolarHBondContact SG-CZ 3.33Å; F90-Q149 CarbonylContact O-C 3.54Å; F90-Q149 WeakPolarHBondContact O-CA 3.47Å; F90-V150 PolarHBondContact N-O 2.72Å; F90-V150 PolarHBondContact O-N 2.87Å; F90-I152 HydrophobicContact CD2-CD1 4.23Å; F90-I152 HydrophobicContact CD2-CG1 4.41Å; F90-I152 HydrophobicContact CE2-CD1 3.75Å; F90-I152 HydrophobicContact CE2-CG1 4.08Å |
| 91 | Q | 78.1 | Confident | 71.6 | Confident | 114 Ų | 114 | 64 Ų | 64 | 53% | 0.533 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 129.5 | 170.2 | -176 | 171.4 | -43.7 | 0 | 0 | 109 | R147 Q149 | Q91-R147 HydrophobicContact CG-CG 4.28Å; Q91-Q149 HydrophobicContact CB-CG 4.48Å |
| 92 | V | 73.3 | Confident | 73.4 | Confident | 28 Ų | 28 | 65.1 Ų | 65.1 | 17% | 0.17 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.2 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 107.5 | I64 R147 F148 V150 | I64-V92 HydrophobicContact CG2-CG1 4.09Å; V92-R147 CarbonylContact O-C 3.52Å; V92-R147 WeakPolarHBondContact O-CA 3.3Å; V92-F148 HydrophobicContact CB-CD2 4.02Å; V92-F148 HydrophobicContact CB-CE1 4.2Å; V92-F148 HydrophobicContact CB-CE2 3.54Å; V92-F148 HydrophobicContact CB-CZ 3.62Å; V92-F148 HydrophobicContact CG1-CE1 4.02Å; V92-F148 HydrophobicContact CG1-CE2 3.9Å; V92-F148 HydrophobicContact CG1-CZ 3.47Å; V92-F148 VanDerWaalsContact CG1-CZ 3.47Å; V92-F148 HydrophobicContact CG2-CD2 4.44Å; V92-F148 HydrophobicContact CG2-CE2 3.86Å; V92-F148 HydrophobicContact CG2-CZ 4.3Å; V92-F148 PolarHBondContact N-O 2.97Å; V92-F148 PolarHBondContact O-N 3.17Å; V92-V150 HydrophobicContact CG2-CG2 3.87Å |
| 93 | S | 72.9 | Confident | 75.3 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 27% | 0.266 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135 | 171.7 | -63.9 | 0 | 0 | 0 | 0 | 108 | R147 E307 | S93-R147 WeakPolarHBondContact OG-CD 3.26Å; S93-E307 PolarHBondContact OG-O 3.47Å; S93-E307 VanDerWaalsContact OG-O 3.11Å |
| 94 | S | 70.5 | Confident | 77.4 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | trans | -68.6 | 140.4 | 173.3 | -169.1 | 0 | 0 | 0 | 0 | 110.3 | E62 V96 V146 | E62-S94 WeakPolarHBondContact OE2-CB 3.49Å; E62-S94 PolarHBondContact OE2-OG 3.26Å; S94-V96 PolarHBondContact O-N 3.47Å; S94-V146 PolarHBondContact N-O 2.98Å | ||
| 95 | K | 69.8 | Low | 78.9 | Confident | 95 Ų | 95 | 53.9 Ų | 53.9 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | trans | -79.6 | 112.8 | 175.2 | -68.8 | -167.5 | -178.9 | -140.5 | 0 | 108.2 | P97 Y304 E306 | K95-P97 VanDerWaalsContact O-CD 3.29Å; K95-P97 WeakPolarHBondContact O-CD 3.38Å; K95-Y304 HydrophobicContact CB-CD1 3.92Å; K95-Y304 HydrophobicContact CB-CG 4.42Å; K95-E306 WeakPolarHBondContact CE-OE1 3.5Å; K95-E306 HydrophobicContact CG-CG 4.38Å; K95-E306 IonicContact NZ-OE1 2.71Å; K95-E306 PolarHBondContact NZ-OE1 2.93Å | ||
| 96 | V | 70.7 | Confident | 79.9 | Confident | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 118.6 | -178.1 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | S94 N143 F249 F305 | S94-V96 PolarHBondContact O-N 3.47Å; V96-N143 HydrophobicContact CG1-CB 4.27Å; V96-F249 HydrophobicContact CG2-CE2 3.76Å; V96-F249 HydrophobicContact CG2-CZ 3.95Å; V96-F305 HydrophobicContact CB-CE1 3.85Å; V96-F305 HydrophobicContact CB-CE2 4.32Å; V96-F305 HydrophobicContact CB-CZ 3.72Å; V96-F305 HydrophobicContact CG1-CE1 3.99Å; V96-F305 HydrophobicContact CG1-CZ 3.85Å; V96-F305 PolarHBondContact N-O 2.85Å; V96-F305 VanDerWaalsContact O-CD1 3.27Å; V96-F305 WeakPolarHBondContact O-CD1 3.36Å; V96-F305 VanDerWaalsContact O-CE1 3.25Å; V96-F305 WeakPolarHBondContact O-CE1 3.41Å |
| 97 | P | 75.3 | Confident | 80.6 | Confident | 63 Ų | 63 | 47.1 Ų | 47.1 | 41% | 0.409 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 136 | 175.5 | 29.4 | -32.8 | 0 | 0 | 0 | 109.9 | K95 I302 Y304 | K95-P97 VanDerWaalsContact O-CD 3.29Å; K95-P97 WeakPolarHBondContact O-CD 3.38Å; P97-I302 HydrophobicContact CB-CG2 3.67Å; P97-Y304 HydrophobicContact CB-CD1 4.24Å; P97-Y304 HydrophobicContact CB-CE1 3.93Å |
| 98 | Y | 81.3 | Confident | 81.2 | Confident | 45 Ų | 45 | 44.3 Ų | 44.3 | 18% | 0.176 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 129.3 | 171 | -171.5 | -88.5 | 0 | 0 | 0 | 109.7 | L100 L106 V140 L258 I302 A303 | Y98-L100 HydrophobicContact CD1-CD2 4.23Å; Y98-L100 HydrophobicContact CD1-CG 4.35Å; Y98-L100 HydrophobicContact CE1-CD2 4.29Å; Y98-L100 PolarHBondContact O-N 3.41Å; Y98-L106 HydrophobicContact CD1-CD1 3.83Å; Y98-L106 HydrophobicContact CD1-CG 4.45Å; Y98-L106 HydrophobicContact CG-CD1 4.12Å; Y98-V140 HydrophobicContact CD2-CG1 3.79Å; Y98-V140 HydrophobicContact CE2-CG1 3.92Å; Y98-V140 HydrophobicContact CG-CG1 4.5Å; Y98-L258 HydrophobicContact CE1-CD1 3.96Å; Y98-L258 WeakPolarHBondContact OH-CD2 3.38Å; Y98-I302 WeakPolarHBondContact O-CA 3.32Å; Y98-A303 PolarHBondContact N-O 3.21Å; Y98-A303 PolarHBondContact O-N 3.39Å |
| 99 | E | 86.1 | Confident | 82.2 | Confident | 118 Ų | 118 | 42.1 Ų | 42.1 | 55% | 0.551 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 99.4 | 176.2 | -165 | -172.1 | 157.9 | 0 | 0 | 109.7 | Q101 | E99-Q101 VanDerWaalsContact CD-NE2 3.25Å; E99-Q101 PolarHBondContact O-N 3.48Å; E99-Q101 PolarHBondContact OE1-NE2 2.99Å |
| 100 | L | 86.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 120.2 | 173.1 | -82.7 | 177.1 | 0 | 0 | 0 | 109 | Y98 Q104 L106 L258 K294 P300 H301 A303 | Y98-L100 HydrophobicContact CD1-CD2 4.23Å; Y98-L100 HydrophobicContact CD1-CG 4.35Å; Y98-L100 HydrophobicContact CE1-CD2 4.29Å; Y98-L100 PolarHBondContact O-N 3.41Å; L100-Q104 HydrophobicContact CD2-CB 3.89Å; L100-L106 HydrophobicContact CD1-CD1 4.34Å; L100-L106 HydrophobicContact CD2-CD1 3.92Å; L100-L106 HydrophobicContact CD2-CG 3.73Å; L100-L106 HydrophobicContact CG-CD1 4Å; L100-L106 HydrophobicContact CG-CG 4.33Å; L100-L258 HydrophobicContact CD2-CD1 4.28Å; L100-K294 HydrophobicContact CD1-CB 4.23Å; L100-P300 WeakPolarHBondContact O-CA 3.43Å; L100-P300 WeakPolarHBondContact O-CB 3.39Å; L100-H301 PolarHBondContact N-O 2.91Å; L100-H301 PolarHBondContact O-N 3.12Å; L100-A303 HydrophobicContact CD1-CB 3.58Å; L100-A303 HydrophobicContact CG-CB 3.92Å |
| 101 | Q | 89.3 | Confident | 83.7 | Confident | 79 Ų | 79 | 47.6 Ų | 47.6 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -82.2 | 161.3 | 171.8 | -56.9 | -60.6 | -51.1 | 0 | 0 | 110.5 | E99 G103 Q104 | E99-Q101 VanDerWaalsContact CD-NE2 3.25Å; E99-Q101 PolarHBondContact O-N 3.48Å; E99-Q101 PolarHBondContact OE1-NE2 2.99Å; Q101-G103 PolarHBondContact O-N 3.07Å; Q101-Q104 HydrophobicContact CB-CG 4.14Å; Q101-Q104 WeakPolarHBondContact O-CB 3.49Å; Q101-Q104 WeakPolarHBondContact O-CG 3.25Å; Q101-Q104 PolarHBondContact O-N 2.88Å |
| 102 | K | 89.6 | Confident | 84.3 | Confident | 116 Ų | 116 | 45.8 Ų | 45.8 | 50% | 0.504 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 130.9 | 176.2 | -171.1 | -177 | -177.7 | 172.6 | 0 | 111.3 | L297 D298 | K102-L297 WeakPolarHBondContact CE-O 3.49Å; K102-L297 VanDerWaalsContact CG-O 3.23Å; K102-L297 WeakPolarHBondContact CG-O 3.38Å; K102-D298 WeakPolarHBondContact CD-O 3.46Å |
| 103 | G | 88.2 | Confident | 85.1 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 20.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q101 M262 S296 | Q101-G103 PolarHBondContact O-N 3.07Å; G103-M262 WeakPolarHBondContact O-CB 3.41Å; G103-M262 PolarHBondContact O-N 3.23Å; G103-S296 WeakPolarHBondContact CA-O 3.45Å; G103-S296 PolarHBondContact N-O 3.2Å |
| 104 | Q | 92.1 | Very high | 86.1 | Confident | 34 Ų | 34 | 50.2 Ų | 50.2 | 16% | 0.159 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 155.4 | 175.5 | -58.3 | -173.8 | -30.4 | 0 | 0 | 112 | L100 Q101 L258 L259 T260 C295 S296 | L100-Q104 HydrophobicContact CD2-CB 3.89Å; Q101-Q104 HydrophobicContact CB-CG 4.14Å; Q101-Q104 WeakPolarHBondContact O-CB 3.49Å; Q101-Q104 WeakPolarHBondContact O-CG 3.25Å; Q101-Q104 PolarHBondContact O-N 2.88Å; Q104-L258 HydrophobicContact CB-CD1 4.17Å; Q104-L259 CarbonylContact C-O 3.55Å; Q104-L259 VanDerWaalsContact CA-O 3.28Å; Q104-L259 WeakPolarHBondContact CA-O 3.29Å; Q104-T260 HydrophobicContact CG-CG2 4.2Å; Q104-C295 WeakPolarHBondContact O-CA 3.29Å; Q104-S296 PolarHBondContact N-O 3.16Å; Q104-S296 PolarHBondContact O-N 3.31Å |
| 105 | A | 90.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 148.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | L259 M262 I276 K294 C295 | A105-L259 HydrophobicContact CB-CB 4.22Å; A105-L259 PolarHBondContact N-O 2.69Å; A105-L259 WeakPolarHBondContact O-CB 3.31Å; A105-L259 PolarHBondContact O-N 3.17Å; A105-M262 HydrophobicContact CB-CE 3.31Å; A105-M262 HydrophobicContact CB-SD 3.98Å; A105-I276 HydrophobicContact CB-CD1 4.03Å; A105-K294 CarbonylContact C-O 3.44Å; A105-K294 WeakPolarHBondContact CA-O 3.27Å; A105-K294 WeakPolarHBondContact CB-O 3.16Å; A105-C295 HydrophobicContact CB-CB 3.49Å; A105-C295 VanDerWaalsContact CB-CB 3.49Å |
| 106 | L | 91.2 | Very high | 88.1 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 136.3 | 168.7 | -73.3 | 162.7 | 0 | 0 | 0 | 108.5 | Y98 L100 V140 T256 V257 L258 V293 K294 A303 | Y98-L106 HydrophobicContact CD1-CD1 3.83Å; Y98-L106 HydrophobicContact CD1-CG 4.45Å; Y98-L106 HydrophobicContact CG-CD1 4.12Å; L100-L106 HydrophobicContact CD1-CD1 4.34Å; L100-L106 HydrophobicContact CD2-CD1 3.92Å; L100-L106 HydrophobicContact CD2-CG 3.73Å; L100-L106 HydrophobicContact CG-CD1 4Å; L100-L106 HydrophobicContact CG-CG 4.33Å; L106-V140 HydrophobicContact CD2-CG1 4.2Å; L106-V140 HydrophobicContact CD2-CG2 3.46Å; L106-V140 VanDerWaalsContact CD2-CG2 3.46Å; L106-T256 HydrophobicContact CB-CG2 4.23Å; L106-T256 HydrophobicContact CD2-CG2 3.79Å; L106-V257 WeakPolarHBondContact CA-O 3.13Å; L106-L258 HydrophobicContact CD2-CB 4.46Å; L106-L258 HydrophobicContact CD2-CD1 4.15Å; L106-V293 WeakPolarHBondContact O-CA 3.02Å; L106-K294 PolarHBondContact N-O 2.85Å; L106-K294 PolarHBondContact O-N 3.36Å; L106-A303 HydrophobicContact CD1-CB 3.81Å |
| 107 | I | 91.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.5 | 171.9 | -179.3 | 163 | 0 | 0 | 0 | 108.9 | F109 T256 V257 L259 I276 F280 V290 V293 | I107-F109 HydrophobicContact CB-CE2 4.46Å; I107-F109 HydrophobicContact CD1-CE1 3.9Å; I107-F109 HydrophobicContact CD1-CE2 4.25Å; I107-F109 HydrophobicContact CD1-CZ 3.57Å; I107-F109 HydrophobicContact CG1-CD2 4.49Å; I107-F109 HydrophobicContact CG1-CE1 4.17Å; I107-F109 HydrophobicContact CG1-CE2 3.91Å; I107-F109 HydrophobicContact CG1-CZ 3.73Å; I107-F109 HydrophobicContact CG2-CE2 3.83Å; I107-F109 HydrophobicContact CG2-CZ 4.1Å; I107-T256 CarbonylContact O-C 3.59Å; I107-T256 WeakPolarHBondContact O-CA 3.41Å; I107-V257 HydrophobicContact CG2-CB 3.85Å; I107-V257 PolarHBondContact N-O 3.5Å; I107-V257 PolarHBondContact O-N 2.86Å; I107-L259 HydrophobicContact CB-CD1 4.4Å; I107-L259 HydrophobicContact CG2-CD1 3.88Å; I107-L259 HydrophobicContact CG2-CD2 4.45Å; I107-L259 HydrophobicContact CG2-CG 4Å; I107-I276 HydrophobicContact CD1-CG2 4.19Å; I107-F280 HydrophobicContact CD1-CB 3.46Å; I107-F280 VanDerWaalsContact CD1-CB 3.46Å; I107-F280 HydrophobicContact CD1-CD2 3.79Å; I107-F280 HydrophobicContact CD1-CG 3.8Å; I107-V290 HydrophobicContact CD1-CG1 3.98Å; I107-V290 HydrophobicContact CD1-CG2 3.94Å; I107-V290 HydrophobicContact CG1-CG1 3.86Å; I107-V290 HydrophobicContact CG1-CG2 4.48Å; I107-V293 HydrophobicContact CB-CG2 4.49Å; I107-V293 HydrophobicContact CD1-CG2 4.08Å; I107-V293 HydrophobicContact CG1-CG2 4.03Å |
| 108 | T | 90.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.7 | 177.6 | -49.7 | 0 | 0 | 0 | 0 | 109.2 | R255 T256 D291 V292 | T108-R255 WeakPolarHBondContact CA-O 3.18Å; T108-R255 HydrophobicContact CG2-CB 4.36Å; T108-T256 PolarHBondContact OG1-OG1 3.24Å; T108-D291 HydrophobicContact CG2-CB 4.49Å; T108-D291 PolarHBondContact O-N 2.86Å; T108-V292 HydrophobicContact CG2-CG1 4.48Å; T108-V292 PolarHBondContact N-O 3.01Å; T108-V292 PolarHBondContact O-N 3.42Å; T108-V292 WeakPolarHBondContact OG1-CG1 3.38Å |
| 109 | F | 91.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 153.2 | 179.9 | -64.2 | -82.9 | 0 | 0 | 0 | 111.6 | I107 K111 V114 A115 V118 R255 V257 F280 E289 V290 | I107-F109 HydrophobicContact CB-CE2 4.46Å; I107-F109 HydrophobicContact CD1-CE1 3.9Å; I107-F109 HydrophobicContact CD1-CE2 4.25Å; I107-F109 HydrophobicContact CD1-CZ 3.57Å; I107-F109 HydrophobicContact CG1-CD2 4.49Å; I107-F109 HydrophobicContact CG1-CE1 4.17Å; I107-F109 HydrophobicContact CG1-CE2 3.91Å; I107-F109 HydrophobicContact CG1-CZ 3.73Å; I107-F109 HydrophobicContact CG2-CE2 3.83Å; I107-F109 HydrophobicContact CG2-CZ 4.1Å; F109-K111 VanDerWaalsContact C-N 3.26Å; F109-K111 PolarHBondContact O-N 2.97Å; F109-V114 HydrophobicContact CB-CB 4.16Å; F109-V114 HydrophobicContact CB-CG1 4.21Å; F109-V114 HydrophobicContact CD1-CB 4.19Å; F109-V114 HydrophobicContact CD1-CG1 3.33Å; F109-V114 HydrophobicContact CD2-CG1 4.36Å; F109-V114 HydrophobicContact CE1-CG1 3.66Å; F109-V114 HydrophobicContact CG-CB 4.15Å; F109-V114 HydrophobicContact CG-CG1 3.71Å; F109-V114 HydrophobicContact CZ-CG1 4.31Å; F109-A115 HydrophobicContact CD2-CB 3.8Å; F109-A115 HydrophobicContact CE2-CB 4.49Å; F109-V118 HydrophobicContact CE1-CG2 4.48Å; F109-V118 HydrophobicContact CE2-CB 4.41Å; F109-V118 HydrophobicContact CE2-CG2 4.14Å; F109-V118 HydrophobicContact CZ-CB 4.46Å; F109-V118 HydrophobicContact CZ-CG2 3.78Å; F109-R255 PolarHBondContact N-O 3.29Å; F109-R255 VanDerWaalsContact O-CZ 3.28Å; F109-R255 PolarHBondContact O-NE 2.74Å; F109-R255 PolarHBondContact O-NH2 3.16Å; F109-V257 HydrophobicContact CD2-CG2 4.32Å; F109-V257 HydrophobicContact CE2-CB 4.44Å; F109-V257 HydrophobicContact CE2-CG2 3.92Å; F109-F280 HydrophobicContact CE1-CB 3.98Å; F109-F280 HydrophobicContact CZ-CB 3.98Å; F109-F280 HydrophobicContact CZ-CD1 4.36Å; F109-F280 HydrophobicContact CZ-CG 4.32Å; F109-E289 WeakPolarHBondContact CA-O 3.29Å; F109-V290 HydrophobicContact CD1-CG2 3.97Å; F109-V290 HydrophobicContact CE1-CG2 3.79Å |
| 110 | E | 88.7 | Confident | 90.7 | Very high | 92 Ų | 92 | 48.7 Ų | 48.7 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -62.9 | -34.2 | 173 | -71.7 | -156.9 | 169.2 | 0 | 0 | 112.6 | R255 E289 D291 | E110-R255 VanDerWaalsContact CA-NH2 3.32Å; E110-R255 PolarHBondContact O-NE 3.24Å; E110-R255 PolarHBondContact O-NH2 2.98Å; E110-E289 HydrophobicContact CB-CB 4.22Å; E110-E289 VanDerWaalsContact CD-CD 3.42Å; E110-E289 VanDerWaalsContact CD-CG 3.48Å; E110-E289 HydrophobicContact CG-CB 4.06Å; E110-E289 HydrophobicContact CG-CG 3.84Å; E110-E289 PolarHBondContact N-O 3.31Å; E110-E289 VanDerWaalsContact OE2-CD 3.31Å; E110-D291 HydrophobicContact CG-CB 4.47Å |
| 111 | K | 88.8 | Confident | 90.9 | Very high | 135 Ų | 135 | 52.9 Ų | 52.9 | 59% | 0.587 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -115.7 | 133.6 | -177.2 | -63.7 | -178.7 | -178 | 178.6 | 0 | 111.7 | F109 E113 V114 | F109-K111 VanDerWaalsContact C-N 3.26Å; F109-K111 PolarHBondContact O-N 2.97Å; K111-E113 VanDerWaalsContact C-N 3.26Å; K111-E113 PolarHBondContact O-N 3.4Å; K111-V114 HydrophobicContact CB-CG2 4Å; K111-V114 WeakPolarHBondContact O-CB 3.21Å; K111-V114 PolarHBondContact O-N 2.83Å |
| 112 | E | 90.9 | Very high | 90.9 | Very high | 77 Ų | 77 | 51.7 Ų | 51.7 | 36% | 0.36 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.4 | -40.2 | 174.8 | 132.9 | 174.5 | -169.6 | 0 | 0 | 112.1 | V114 A115 Q116 K254 R255 | E112-V114 PolarHBondContact O-N 3.41Å; E112-A115 PolarHBondContact O-N 3.09Å; E112-A115 VanDerWaalsContact O-N 3.17Å; E112-Q116 PolarHBondContact O-N 3Å; E112-Q116 VanDerWaalsContact O-N 3.08Å; E112-Q116 PolarHBondContact OE1-NE2 2.91Å; E112-Q116 VanDerWaalsContact OE1-NE2 3.09Å; E112-K254 WeakPolarHBondContact CA-O 3.02Å; E112-K254 HydrophobicContact CB-CB 4.14Å; E112-K254 HydrophobicContact CG-CB 4.26Å; E112-K254 VanDerWaalsContact OE2-CD 3.31Å; E112-K254 WeakPolarHBondContact OE2-CD 3.36Å; E112-K254 IonicContact OE2-NZ 2.66Å; E112-R255 HydrophobicContact CB-CG 4.18Å |
| 113 | E | 91.2 | Very high | 91.1 | Very high | 140 Ų | 140 | 51.8 Ų | 51.8 | 65% | 0.654 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59 | -34.7 | -178.6 | -59.6 | 177.4 | -167.3 | 0 | 0 | 112.1 | K111 N117 | K111-E113 VanDerWaalsContact C-N 3.26Å; K111-E113 PolarHBondContact O-N 3.4Å; E113-N117 PolarHBondContact O-N 3.13Å; E113-N117 VanDerWaalsContact O-N 3.07Å; E113-N117 PolarHBondContact O-ND2 3.29Å; E113-N117 VanDerWaalsContact O-ND2 3.13Å |
| 114 | V | 92.5 | Very high | 91.2 | Very high | 18 Ų | 18 | 52 Ų | 52 | 11% | 0.109 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.8 | -45.8 | 179.6 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | F109 K111 E112 Q116 N117 V118 G287 G288 | F109-V114 HydrophobicContact CB-CB 4.16Å; F109-V114 HydrophobicContact CB-CG1 4.21Å; F109-V114 HydrophobicContact CD1-CB 4.19Å; F109-V114 HydrophobicContact CD1-CG1 3.33Å; F109-V114 HydrophobicContact CD2-CG1 4.36Å; F109-V114 HydrophobicContact CE1-CG1 3.66Å; F109-V114 HydrophobicContact CG-CB 4.15Å; F109-V114 HydrophobicContact CG-CG1 3.71Å; F109-V114 HydrophobicContact CZ-CG1 4.31Å; K111-V114 HydrophobicContact CB-CG2 4Å; K111-V114 WeakPolarHBondContact O-CB 3.21Å; K111-V114 PolarHBondContact O-N 2.83Å; E112-V114 PolarHBondContact O-N 3.41Å; V114-Q116 VanDerWaalsContact C-N 3.32Å; V114-Q116 PolarHBondContact O-N 3.42Å; V114-N117 WeakPolarHBondContact O-CB 3.3Å; V114-N117 PolarHBondContact O-N 3.46Å; V114-V118 WeakPolarHBondContact O-CG2 3.35Å; V114-V118 PolarHBondContact O-N 2.97Å; V114-G287 VanDerWaalsContact CG1-C 3.5Å; V114-G288 VanDerWaalsContact CG1-N 3.32Å |
| 115 | A | 91.5 | Very high | 91 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 3% | 0.033 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | F109 E112 N117 V118 V119 K254 V257 | F109-A115 HydrophobicContact CD2-CB 3.8Å; F109-A115 HydrophobicContact CE2-CB 4.49Å; E112-A115 PolarHBondContact O-N 3.09Å; E112-A115 VanDerWaalsContact O-N 3.17Å; A115-N117 PolarHBondContact O-N 3.01Å; A115-V118 PolarHBondContact O-N 3.22Å; A115-V119 WeakPolarHBondContact O-CG2 3.35Å; A115-V119 PolarHBondContact O-N 3.13Å; A115-K254 VanDerWaalsContact CB-O 3.3Å; A115-K254 WeakPolarHBondContact CB-O 3.35Å; A115-V257 HydrophobicContact CB-CG2 3.77Å |
| 116 | Q | 91.2 | Very high | 90.8 | Very high | 102 Ų | 102 | 56.7 Ų | 56.7 | 48% | 0.477 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.5 | -69.6 | -177.9 | 7.1 | 0 | 0 | 112.1 | E112 V114 V119 S120 | E112-Q116 PolarHBondContact O-N 3Å; E112-Q116 VanDerWaalsContact O-N 3.08Å; E112-Q116 PolarHBondContact OE1-NE2 2.91Å; E112-Q116 VanDerWaalsContact OE1-NE2 3.09Å; V114-Q116 VanDerWaalsContact C-N 3.32Å; V114-Q116 PolarHBondContact O-N 3.42Å; Q116-V119 PolarHBondContact O-N 3.02Å; Q116-S120 WeakPolarHBondContact O-CB 3.48Å; Q116-S120 PolarHBondContact O-N 2.93Å |
| 117 | N | 92.1 | Very high | 90.4 | Very high | 85 Ų | 85 | 64.2 Ų | 64.2 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 175.4 | -71.5 | -25.2 | 0 | 0 | 0 | 111.6 | E113 V114 A115 V119 S120 M121 | E113-N117 PolarHBondContact O-N 3.13Å; E113-N117 VanDerWaalsContact O-N 3.07Å; E113-N117 PolarHBondContact O-ND2 3.29Å; E113-N117 VanDerWaalsContact O-ND2 3.13Å; V114-N117 WeakPolarHBondContact O-CB 3.3Å; V114-N117 PolarHBondContact O-N 3.46Å; A115-N117 PolarHBondContact O-N 3.01Å; N117-V119 VanDerWaalsContact C-N 3.33Å; N117-V119 PolarHBondContact O-N 3.4Å; N117-S120 PolarHBondContact O-N 2.89Å; N117-S120 VanDerWaalsContact O-N 3.17Å; N117-S120 PolarHBondContact O-OG 3.5Å; N117-M121 WeakPolarHBondContact O-CG 3.5Å; N117-M121 PolarHBondContact O-N 2.94Å |
| 118 | V | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 178.8 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | F109 V114 A115 M121 H124 A137 V257 F280 G286 | F109-V118 HydrophobicContact CE1-CG2 4.48Å; F109-V118 HydrophobicContact CE2-CB 4.41Å; F109-V118 HydrophobicContact CE2-CG2 4.14Å; F109-V118 HydrophobicContact CZ-CB 4.46Å; F109-V118 HydrophobicContact CZ-CG2 3.78Å; V114-V118 WeakPolarHBondContact O-CG2 3.35Å; V114-V118 PolarHBondContact O-N 2.97Å; A115-V118 PolarHBondContact O-N 3.22Å; V118-M121 PolarHBondContact O-N 2.93Å; V118-H124 PolarHBondContact O-NE2 3.2Å; V118-A137 HydrophobicContact CG1-CB 3.89Å; V118-A137 WeakPolarHBondContact O-CB 3.31Å; V118-V257 HydrophobicContact CG1-CG1 4.13Å; V118-V257 HydrophobicContact CG1-CG2 4.48Å; V118-F280 HydrophobicContact CG1-CD1 3.95Å; V118-F280 HydrophobicContact CG1-CE1 3.58Å; V118-F280 HydrophobicContact CG1-CZ 4.44Å; V118-F280 HydrophobicContact CG2-CD1 3.96Å; V118-F280 HydrophobicContact CG2-CE1 4.34Å; V118-G286 WeakPolarHBondContact CG2-O 3.42Å |
| 119 | V | 92.4 | Very high | 88.9 | Confident | 41 Ų | 41 | 71 Ų | 71 | 25% | 0.248 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 175.4 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | A115 Q116 N117 M121 S122 V257 | A115-V119 WeakPolarHBondContact O-CG2 3.35Å; A115-V119 PolarHBondContact O-N 3.13Å; Q116-V119 PolarHBondContact O-N 3.02Å; N117-V119 VanDerWaalsContact C-N 3.33Å; N117-V119 PolarHBondContact O-N 3.4Å; V119-M121 VanDerWaalsContact C-N 3.28Å; V119-M121 PolarHBondContact O-N 2.95Å; V119-S122 WeakPolarHBondContact O-CA 3.38Å; V119-S122 PolarHBondContact O-N 2.78Å; V119-V257 HydrophobicContact CG2-CB 4.31Å; V119-V257 HydrophobicContact CG2-CG1 3.75Å; V119-V257 HydrophobicContact CG2-CG2 3.73Å |
| 120 | S | 91.3 | Very high | 88 | Confident | 89 Ų | 89 | 78.1 Ų | 78.1 | 62% | 0.622 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.6 | -33.6 | -179.9 | 78 | 0 | 0 | 0 | 0 | 113.2 | Q116 N117 S122 | Q116-S120 WeakPolarHBondContact O-CB 3.48Å; Q116-S120 PolarHBondContact O-N 2.93Å; N117-S120 PolarHBondContact O-N 2.89Å; N117-S120 VanDerWaalsContact O-N 3.17Å; N117-S120 PolarHBondContact O-OG 3.5Å; S120-S122 PolarHBondContact O-N 3.34Å |
| 121 | M | 90.1 | Very high | 87.4 | Confident | 88 Ų | 88 | 78.4 Ų | 78.4 | 43% | 0.433 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.3 | -20.6 | 176 | -71.3 | -176.2 | 66.3 | 0 | 0 | 112.5 | N117 V118 V119 K123 N285 | N117-M121 WeakPolarHBondContact O-CG 3.5Å; N117-M121 PolarHBondContact O-N 2.94Å; V118-M121 PolarHBondContact O-N 2.93Å; V119-M121 VanDerWaalsContact C-N 3.28Å; V119-M121 PolarHBondContact O-N 2.95Å; M121-K123 PolarHBondContact O-N 3.47Å; M121-N285 VanDerWaalsContact SD-C 3.51Å |
| 122 | S | 90.8 | Very high | 87.1 | Confident | 54 Ų | 54 | 77.2 Ų | 77.2 | 38% | 0.378 | 39% | 0.389 | S | S | . | . | trans | 59.2 | -58.9 | 178 | -171.7 | 0 | 0 | 0 | 0 | 115.4 | V119 S120 T136 A137 | V119-S122 WeakPolarHBondContact O-CA 3.38Å; V119-S122 PolarHBondContact O-N 2.78Å; S120-S122 PolarHBondContact O-N 3.34Å; S122-T136 CarbonylContact O-C 3.55Å; S122-T136 VanDerWaalsContact O-CA 3.31Å; S122-T136 WeakPolarHBondContact O-CA 3.48Å; S122-A137 PolarHBondContact O-N 3.5Å | ||
| 123 | K | 92.4 | Very high | 86.9 | Confident | 118 Ų | 118 | 75 Ų | 75 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 135.3 | -177.3 | -65.7 | -173 | 171 | -149 | 0 | 111.5 | M121 E134 | M121-K123 PolarHBondContact O-N 3.47Å; K123-E134 IonicContact NZ-OE1 2.74Å; K123-E134 PolarHBondContact NZ-OE1 3.42Å; K123-E134 IonicContact NZ-OE2 2.77Å |
| 124 | H | 91.1 | Very high | 86.9 | Confident | 7 Ų | 7 | 72.8 Ų | 72.8 | 3% | 0.032 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.5 | 179.5 | -64.6 | -87.2 | 0 | 0 | 0 | 109.7 | V118 V135 F280 N285 | V118-H124 PolarHBondContact O-NE2 3.2Å; H124-V135 PolarHBondContact N-O 3.04Å; H124-V135 PolarHBondContact O-N 3.4Å; H124-F280 HydrophobicContact CB-CE1 4.29Å; H124-F280 HydrophobicContact CB-CZ 3.99Å; H124-F280 AromaticContact CD2-CE1 3.9Å; H124-F280 AromaticContact CE1-CE1 3.81Å; H124-F280 AromaticContact CG-CE1 3.68Å; H124-F280 AromaticContact CG-CZ 3.82Å; H124-F280 AromaticContact ND1-CE1 3.65Å; H124-F280 AromaticContact NE2-CE1 3.97Å; H124-N285 PolarHBondContact CE1-O 3.41Å; H124-N285 VanDerWaalsContact CE1-O 3.3Å |
| 125 | Q | 88.5 | Confident | 86.8 | Confident | 131 Ų | 131 | 72 Ų | 72 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 93.5 | 174.7 | -71.6 | -173.5 | -8.5 | 0 | 0 | 109.4 | L133 H279 | Q125-L133 CarbonylContact C-O 3.56Å; Q125-L133 WeakPolarHBondContact CA-O 3.39Å; Q125-H279 PolarHBondContact O-CE1 2.96Å |
| 126 | V | 86 | Confident | 86.9 | Confident | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.006 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 120.8 | 180 | -173 | 0 | 0 | 0 | 0 | 108.5 | I128 L133 V135 H279 F280 | V126-I128 HydrophobicContact CG1-CD1 4.45Å; V126-I128 HydrophobicContact CG1-CG1 3.95Å; V126-I128 PolarHBondContact O-N 2.9Å; V126-L133 PolarHBondContact N-O 3.17Å; V126-L133 PolarHBondContact O-N 2.93Å; V126-V135 HydrophobicContact CB-CG2 4.2Å; V126-V135 HydrophobicContact CG2-CB 4.17Å; V126-V135 HydrophobicContact CG2-CG2 3.72Å; V126-H279 HydrophobicContact CG1-CB 4.11Å; V126-F280 HydrophobicContact CG2-CE2 4.36Å |
| 127 | R | 81.9 | Confident | 87.1 | Confident | 163 Ų | 163 | 68.6 Ų | 68.6 | 62% | 0.615 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 107.3 | 175 | -174.6 | 176.1 | 177.1 | 172.4 | 2.8 | 108.9 | K129 | R127-K129 WeakPolarHBondContact CG-O 3.48Å; R127-K129 PolarHBondContact NE-O 3.3Å; R127-K129 VanDerWaalsContact NE-O 3.15Å |
| 128 | I | 79.6 | Confident | 87.1 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 105.1 | 174.6 | -59.1 | -171.7 | 0 | 0 | 0 | 107 | V126 D130 V131 L133 I265 M267 V272 L275 | V126-I128 HydrophobicContact CG1-CD1 4.45Å; V126-I128 HydrophobicContact CG1-CG1 3.95Å; V126-I128 PolarHBondContact O-N 2.9Å; I128-D130 PolarHBondContact O-N 3.08Å; I128-D130 VanDerWaalsContact O-N 3.1Å; I128-V131 PolarHBondContact N-O 2.59Å; I128-V131 PolarHBondContact O-N 2.94Å; I128-L133 HydrophobicContact CD1-CB 4.38Å; I128-L133 HydrophobicContact CD1-CD2 3.54Å; I128-L133 HydrophobicContact CG1-CD2 4.49Å; I128-I265 HydrophobicContact CD1-CD1 3.71Å; I128-M267 HydrophobicContact CG2-SD 3.72Å; I128-V272 HydrophobicContact CD1-CG1 4.48Å; I128-L275 HydrophobicContact CB-CD1 4.38Å; I128-L275 HydrophobicContact CG1-CD1 4.43Å; I128-L275 HydrophobicContact CG2-CD1 3.86Å |
| 129 | K | 72.8 | Confident | 87 | Confident | 133 Ų | 133 | 72.5 Ų | 72.5 | 58% | 0.578 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | -109.8 | -169.5 | -63.1 | 174.9 | 171.4 | 165.2 | 0 | 111.8 | R127 M267 | R127-K129 WeakPolarHBondContact CG-O 3.48Å; R127-K129 PolarHBondContact NE-O 3.3Å; R127-K129 VanDerWaalsContact NE-O 3.15Å; K129-M267 HydrophobicContact CD-CE 4.44Å; K129-M267 HydrophobicContact CD-SD 3.7Å; K129-M267 WeakPolarHBondContact CE-SD 3.42Å; K129-M267 HydrophobicContact CG-SD 4.05Å |
| 130 | D | 71.4 | Confident | 86.7 | Confident | 149 Ų | 149 | 70.6 Ų | 70.6 | 80% | 0.797 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 5.7 | -177.8 | -62.9 | -50.4 | 0 | 0 | 0 | 113.4 | I128 | I128-D130 PolarHBondContact O-N 3.08Å; I128-D130 VanDerWaalsContact O-N 3.1Å |
| 131 | V | 77.3 | Confident | 86.2 | Confident | 98 Ų | 98 | 70 Ų | 70 | 59% | 0.594 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133.1 | 178.2 | -175.1 | 0 | 0 | 0 | 0 | 109.5 | I128 | I128-V131 PolarHBondContact N-O 2.59Å; I128-V131 PolarHBondContact O-N 2.94Å |
| 132 | N | 81.2 | Confident | 85.4 | Confident | 111 Ų | 111 | 66.6 Ų | 66.6 | 59% | 0.594 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 108.8 | 168.1 | -68.7 | -36.2 | 0 | 0 | 0 | 108.1 | ||
| 133 | L | 87.1 | Confident | 84.3 | Confident | 30 Ų | 30 | 69.2 Ų | 69.2 | 16% | 0.157 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 125.2 | 177.4 | -175.3 | 67.8 | 0 | 0 | 0 | 109.4 | Q125 V126 I128 V135 G261 M262 I265 | Q125-L133 CarbonylContact C-O 3.56Å; Q125-L133 WeakPolarHBondContact CA-O 3.39Å; V126-L133 PolarHBondContact N-O 3.17Å; V126-L133 PolarHBondContact O-N 2.93Å; I128-L133 HydrophobicContact CD1-CB 4.38Å; I128-L133 HydrophobicContact CD1-CD2 3.54Å; I128-L133 HydrophobicContact CG1-CD2 4.49Å; L133-V135 HydrophobicContact CD2-CG2 4Å; L133-V135 HydrophobicContact CG-CG2 4.02Å; L133-G261 WeakPolarHBondContact CD1-O 3.5Å; L133-M262 HydrophobicContact CD2-CB 4.23Å; L133-M262 HydrophobicContact CD2-CG 3.81Å; L133-I265 HydrophobicContact CD2-CD1 3.64Å; L133-I265 HydrophobicContact CD2-CG1 4.16Å |
| 134 | E | 90.5 | Very high | 83.2 | Confident | 94 Ų | 94 | 67.2 Ų | 67.2 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 117.7 | 171.7 | -176.4 | 171.9 | 111.6 | 0 | 0 | 109.3 | K123 | K123-E134 IonicContact NZ-OE1 2.74Å; K123-E134 PolarHBondContact NZ-OE1 3.42Å; K123-E134 IonicContact NZ-OE2 2.77Å |
| 135 | V | 92 | Very high | 82.3 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135 | 179.1 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | H124 V126 L133 L259 T260 M262 | H124-V135 PolarHBondContact N-O 3.04Å; H124-V135 PolarHBondContact O-N 3.4Å; V126-V135 HydrophobicContact CB-CG2 4.2Å; V126-V135 HydrophobicContact CG2-CB 4.17Å; V126-V135 HydrophobicContact CG2-CG2 3.72Å; L133-V135 HydrophobicContact CD2-CG2 4Å; L133-V135 HydrophobicContact CG-CG2 4.02Å; V135-L259 HydrophobicContact CG1-CB 3.61Å; V135-L259 HydrophobicContact CG1-CD1 4.47Å; V135-L259 HydrophobicContact CG1-CD2 3.9Å; V135-L259 HydrophobicContact CG1-CG 4.18Å; V135-T260 CarbonylContact C-O 3.59Å; V135-T260 WeakPolarHBondContact CA-O 3.5Å; V135-T260 WeakPolarHBondContact CG1-O 3.41Å; V135-M262 HydrophobicContact CG1-CG 4.38Å; V135-M262 HydrophobicContact CG1-SD 4.33Å; V135-M262 HydrophobicContact CG2-CG 3.88Å; V135-M262 HydrophobicContact CG2-SD 4.42Å |
| 136 | T | 93.9 | Very high | 81.6 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 120.5 | 175.8 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | S122 K138 L259 T260 | S122-T136 CarbonylContact O-C 3.55Å; S122-T136 VanDerWaalsContact O-CA 3.31Å; S122-T136 WeakPolarHBondContact O-CA 3.48Å; T136-K138 HydrophobicContact CG2-CG 4.18Å; T136-L259 WeakPolarHBondContact O-CA 3.42Å; T136-T260 PolarHBondContact N-O 2.91Å; T136-T260 PolarHBondContact O-N 3.07Å; T136-T260 PolarHBondContact O-OG1 3.36Å |
| 137 | A | 94.1 | Very high | 81.2 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 3% | 0.025 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 127.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V118 S122 V257 L258 L259 | V118-A137 HydrophobicContact CG1-CB 3.89Å; V118-A137 WeakPolarHBondContact O-CB 3.31Å; S122-A137 PolarHBondContact O-N 3.5Å; A137-V257 HydrophobicContact CB-CG1 3.75Å; A137-L258 CarbonylContact C-O 3.44Å; A137-L258 WeakPolarHBondContact CA-O 2.65Å; A137-L259 HydrophobicContact CB-CD2 4.05Å |
| 138 | K | 92.3 | Very high | 81.1 | Confident | 102 Ų | 102 | 57.9 Ų | 57.9 | 44% | 0.443 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 149.2 | 179 | -64.8 | -177.3 | -177.4 | 175.3 | 0 | 110.1 | T136 L258 | T136-K138 HydrophobicContact CG2-CG 4.18Å; K138-L258 HydrophobicContact CB-CB 4.38Å; K138-L258 PolarHBondContact N-O 3.16Å; K138-L258 PolarHBondContact O-N 3.31Å |
| 139 | P | 90 | Very high | 81.1 | Confident | 65 Ų | 65 | 59.4 Ų | 59.4 | 42% | 0.422 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 143 | 170.5 | 28.5 | -33.2 | 0 | 0 | 0 | 110 | T252 | P139-T252 HydrophobicContact CB-CG2 4.12Å |
| 140 | V | 86.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 119 | 176.9 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | Y98 L106 L142 T252 S253 T256 L258 F305 | Y98-V140 HydrophobicContact CD2-CG1 3.79Å; Y98-V140 HydrophobicContact CE2-CG1 3.92Å; Y98-V140 HydrophobicContact CG-CG1 4.5Å; L106-V140 HydrophobicContact CD2-CG1 4.2Å; L106-V140 HydrophobicContact CD2-CG2 3.46Å; L106-V140 VanDerWaalsContact CD2-CG2 3.46Å; V140-L142 PolarHBondContact O-N 2.92Å; V140-T252 CarbonylContact O-C 3.48Å; V140-T252 VanDerWaalsContact O-CA 3.29Å; V140-T252 WeakPolarHBondContact O-CA 3.48Å; V140-S253 PolarHBondContact O-N 2.89Å; V140-T256 HydrophobicContact CG2-CG2 4.08Å; V140-T256 WeakPolarHBondContact CG2-O 3.36Å; V140-L258 HydrophobicContact CG2-CB 3.89Å; V140-F305 HydrophobicContact CG1-CE1 4.35Å; V140-F305 HydrophobicContact CG1-CZ 4.07Å |
| 141 | P | 81 | Confident | 81.9 | Confident | 76 Ų | 76 | 49.6 Ų | 49.6 | 49% | 0.494 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 122.9 | 169.9 | 27.8 | -31.2 | 0 | 0 | 0 | 109.4 | G251 | P141-G251 CarbonylContact C-O 3.59Å; P141-G251 WeakPolarHBondContact CA-O 3.36Å |
| 142 | L | 71.6 | Confident | 82.2 | Confident | 18 Ų | 18 | 46.8 Ų | 46.8 | 9% | 0.094 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 121.8 | 169.4 | -59.5 | 178.1 | 0 | 0 | 0 | 108.8 | V140 F249 G251 F305 | V140-L142 PolarHBondContact O-N 2.92Å; L142-F249 HydrophobicContact CD1-CD2 3.77Å; L142-F249 HydrophobicContact CD1-CE2 4.07Å; L142-G251 PolarHBondContact N-O 2.76Å; L142-F305 HydrophobicContact CD2-CD2 4.43Å; L142-F305 HydrophobicContact CD2-CE2 3.13Å; L142-F305 HydrophobicContact CD2-CZ 3.27Å |
| 143 | N | 68.2 | Low | 82.4 | Confident | 109 Ų | 109 | 43.9 Ų | 43.9 | 58% | 0.583 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63 | 157.8 | 153.7 | -64.8 | -29.5 | 0 | 0 | 0 | 108.8 | V96 G145 | V96-N143 HydrophobicContact CG1-CB 4.27Å; N143-G145 PolarHBondContact O-N 2.99Å |
| 144 | S | 70.2 | Confident | 82.4 | Confident | 75 Ų | 75 | 44.3 Ų | 44.3 | 52% | 0.524 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 115.9 | -179.7 | -61.1 | 0 | 0 | 0 | 0 | 111 | F249 | S144-F249 CarbonylContact C-O 3.58Å; S144-F249 WeakPolarHBondContact CA-O 2.97Å |
| 145 | G | 70.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 161.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N143 I248 F249 | N143-G145 PolarHBondContact O-N 2.99Å; G145-I248 WeakPolarHBondContact O-CA 3.46Å; G145-F249 VanDerWaalsContact C-CE1 3.41Å; G145-F249 PolarHBondContact N-O 2.89Å; G145-F249 WeakPolarHBondContact O-CD1 3.26Å; G145-F249 PolarHBondContact O-N 2.89Å |
| 146 | V | 74.4 | Confident | 82.1 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 142.8 | 177.9 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | I60 E62 S94 F148 Y246 Q247 I248 | I60-V146 HydrophobicContact CD1-CG1 3.59Å; E62-V146 WeakPolarHBondContact OE2-CG2 3.5Å; S94-V146 PolarHBondContact N-O 2.98Å; V146-F148 HydrophobicContact CG2-CD1 4.47Å; V146-F148 HydrophobicContact CG2-CE1 4.29Å; V146-Y246 HydrophobicContact CB-CE2 3.98Å; V146-Y246 HydrophobicContact CG1-CE2 3.85Å; V146-Y246 VanDerWaalsContact CG1-OH 3.27Å; V146-Y246 WeakPolarHBondContact CG1-OH 3.36Å; V146-Q247 WeakPolarHBondContact CA-O 3.23Å; V146-I248 HydrophobicContact CG1-CG1 4.45Å |
| 147 | R | 77.5 | Confident | 81.9 | Confident | 82 Ų | 82 | 43.5 Ų | 43.5 | 31% | 0.309 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 132.8 | 172.1 | -174.2 | 170.6 | 72.2 | -178.8 | 0.6 | 109.4 | Q91 V92 S93 Y246 Q247 F249 | Q91-R147 HydrophobicContact CG-CG 4.28Å; V92-R147 CarbonylContact O-C 3.52Å; V92-R147 WeakPolarHBondContact O-CA 3.3Å; S93-R147 WeakPolarHBondContact OG-CD 3.26Å; R147-Y246 CarbonylContact O-C 3.58Å; R147-Y246 WeakPolarHBondContact O-CA 3.46Å; R147-Q247 PolarHBondContact N-O 3.25Å; R147-Q247 PolarHBondContact O-N 2.87Å; R147-F249 HydrophobicContact CB-CD1 4.18Å; R147-F249 HydrophobicContact CB-CE1 4.15Å |
| 148 | F | 79.7 | Confident | 81.9 | Confident | 19 Ų | 19 | 46.4 Ų | 46.4 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 165.7 | 178.9 | 54.3 | -89.6 | 0 | 0 | 0 | 110.9 | I64 V92 V146 V150 L243 Y246 | I64-F148 HydrophobicContact CD1-CE2 4.01Å; I64-F148 HydrophobicContact CD1-CZ 3.48Å; I64-F148 VanDerWaalsContact CD1-CZ 3.48Å; I64-F148 HydrophobicContact CG1-CZ 4.04Å; V92-F148 HydrophobicContact CB-CD2 4.02Å; V92-F148 HydrophobicContact CB-CE1 4.2Å; V92-F148 HydrophobicContact CB-CE2 3.54Å; V92-F148 HydrophobicContact CB-CZ 3.62Å; V92-F148 HydrophobicContact CG1-CE1 4.02Å; V92-F148 HydrophobicContact CG1-CE2 3.9Å; V92-F148 HydrophobicContact CG1-CZ 3.47Å; V92-F148 VanDerWaalsContact CG1-CZ 3.47Å; V92-F148 HydrophobicContact CG2-CD2 4.44Å; V92-F148 HydrophobicContact CG2-CE2 3.86Å; V92-F148 HydrophobicContact CG2-CZ 4.3Å; V92-F148 PolarHBondContact N-O 2.97Å; V92-F148 PolarHBondContact O-N 3.17Å; V146-F148 HydrophobicContact CG2-CD1 4.47Å; V146-F148 HydrophobicContact CG2-CE1 4.29Å; F148-V150 HydrophobicContact CD2-CG2 3.8Å; F148-V150 HydrophobicContact CE2-CG2 3.56Å; F148-L243 HydrophobicContact CD2-CD2 3.28Å; F148-L243 HydrophobicContact CE2-CD2 3.62Å; F148-L243 HydrophobicContact CG-CD2 4.09Å; F148-Y246 HydrophobicContact CB-CD2 4.2Å; F148-Y246 HydrophobicContact CD1-CD2 4.45Å |
| 149 | Q | 80.6 | Confident | 82 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 21% | 0.206 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 123.3 | 172.2 | -67.2 | -171.2 | -15.2 | 0 | 0 | 109.5 | F90 Q91 R244 K245 | F90-Q149 CarbonylContact O-C 3.54Å; F90-Q149 WeakPolarHBondContact O-CA 3.47Å; Q91-Q149 HydrophobicContact CB-CG 4.48Å; Q149-R244 PolarHBondContact N-O 3Å; Q149-R244 PolarHBondContact O-N 2.85Å; Q149-K245 HydrophobicContact CG-CB 4.3Å; Q149-K245 HydrophobicContact CG-CD 4.39Å; Q149-K245 VanDerWaalsContact OE1-CD 3.26Å; Q149-K245 VanDerWaalsContact OE1-CE 3.26Å |
| 150 | V | 81.3 | Confident | 82.3 | Confident | 23 Ų | 23 | 40.6 Ų | 40.6 | 14% | 0.139 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 114.2 | 170.5 | -174.5 | 0 | 0 | 0 | 0 | 107.4 | S89 F90 V92 F148 I152 I241 L243 | S89-V150 CarbonylContact C-O 3.53Å; S89-V150 WeakPolarHBondContact CA-O 3.24Å; F90-V150 PolarHBondContact N-O 2.72Å; F90-V150 PolarHBondContact O-N 2.87Å; V92-V150 HydrophobicContact CG2-CG2 3.87Å; F148-V150 HydrophobicContact CD2-CG2 3.8Å; F148-V150 HydrophobicContact CE2-CG2 3.56Å; V150-I152 HydrophobicContact CG1-CD1 4.28Å; V150-I152 HydrophobicContact CG1-CG1 3.88Å; V150-I241 HydrophobicContact CG1-CG2 3.79Å; V150-L243 HydrophobicContact CG2-CD2 3.97Å |
| 151 | Y | 79.9 | Confident | 82.7 | Confident | 53 Ų | 53 | 40.6 Ų | 40.6 | 21% | 0.208 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 119.2 | 173.7 | -172.2 | -96.7 | 0 | 0 | 0 | 108.5 | S87 E153 H242 | S87-Y151 VanDerWaalsContact CB-CZ 3.41Å; S87-Y151 WeakPolarHBondContact CB-OH 3.43Å; S87-Y151 PolarHBondContact OG-OH 3.38Å; Y151-E153 HydrophobicContact CE1-CB 4.2Å; Y151-H242 PolarHBondContact N-O 2.96Å; Y151-H242 PolarHBondContact O-N 2.81Å |
| 152 | I | 82.9 | Confident | 83.4 | Confident | 39 Ų | 39 | 39.1 Ų | 39.1 | 20% | 0.2 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.8 | -179.4 | -54.5 | -173.7 | 0 | 0 | 0 | 107.7 | S87 C88 F90 V150 T239 E240 I241 | S87-I152 CarbonylContact C-O 3.59Å; S87-I152 VanDerWaalsContact CA-O 3.22Å; S87-I152 WeakPolarHBondContact CA-O 3.41Å; C88-I152 PolarHBondContact N-O 2.88Å; C88-I152 PolarHBondContact O-N 3.37Å; F90-I152 HydrophobicContact CD2-CD1 4.23Å; F90-I152 HydrophobicContact CD2-CG1 4.41Å; F90-I152 HydrophobicContact CE2-CD1 3.75Å; F90-I152 HydrophobicContact CE2-CG1 4.08Å; V150-I152 HydrophobicContact CG1-CD1 4.28Å; V150-I152 HydrophobicContact CG1-CG1 3.88Å; I152-T239 HydrophobicContact CG2-CG2 3.23Å; I152-E240 WeakPolarHBondContact CA-O 3.31Å; I152-I241 HydrophobicContact CG1-CG1 4.47Å |
| 153 | E | 85.4 | Confident | 84.5 | Confident | 50 Ų | 50 | 44.4 Ų | 44.4 | 23% | 0.234 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 115.7 | 178 | -171 | 171.3 | 179.1 | 0 | 0 | 109.8 | N85 I86 Y151 T239 E240 | N85-E153 HydrophobicContact CB-CG 3.6Å; N85-E153 VanDerWaalsContact CB-OE1 3.27Å; N85-E153 WeakPolarHBondContact CB-OE1 3.38Å; N85-E153 PolarHBondContact ND2-OE1 3Å; I86-E153 CarbonylContact O-C 3.47Å; I86-E153 WeakPolarHBondContact O-CA 3.34Å; Y151-E153 HydrophobicContact CE1-CB 4.2Å; E153-T239 CarbonylContact O-C 3.59Å; E153-T239 WeakPolarHBondContact O-CA 3.35Å; E153-E240 PolarHBondContact N-O 2.9Å; E153-E240 PolarHBondContact O-N 2.85Å |
| 154 | V | 87.3 | Confident | 85.7 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 24% | 0.236 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.5 | 177.8 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | N85 I86 P237 T239 | N85-V154 CarbonylContact C-O 3.45Å; N85-V154 WeakPolarHBondContact CA-O 3.32Å; N85-V154 WeakPolarHBondContact CB-O 3.39Å; I86-V154 HydrophobicContact CB-CB 4.38Å; I86-V154 PolarHBondContact N-O 2.91Å; I86-V154 PolarHBondContact O-N 3.4Å; V154-P237 HydrophobicContact CG1-CB 3.79Å; V154-T239 HydrophobicContact CG2-CG2 4.11Å |
| 155 | S | 87.7 | Confident | 86.7 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 8% | 0.077 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 137.2 | -178.7 | -172.8 | 0 | 0 | 0 | 0 | 112.5 | N85 M157 K158 Y238 | N85-S155 VanDerWaalsContact OD1-CA 3.23Å; N85-S155 WeakPolarHBondContact OD1-CA 3.4Å; N85-S155 PolarHBondContact OD1-OG 3.48Å; S155-M157 PolarHBondContact OG-N 2.88Å; S155-K158 PolarHBondContact OG-N 3.45Å; S155-K158 VanDerWaalsContact OG-N 3.09Å; S155-Y238 PolarHBondContact N-O 3.18Å |
| 156 | K | 87.5 | Confident | 87.6 | Confident | 47 Ų | 47 | 41.6 Ų | 41.6 | 20% | 0.204 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -2.6 | 170.4 | -56.5 | -179.8 | -173.2 | 172.3 | 0 | 113.8 | L83 S84 N85 A213 | L83-K156 WeakPolarHBondContact O-CD 3.44Å; L83-K156 WeakPolarHBondContact O-CE 3.33Å; L83-K156 PolarHBondContact O-NZ 3.28Å; S84-K156 WeakPolarHBondContact O-CB 3.49Å; S84-K156 WeakPolarHBondContact O-CD 3.29Å; S84-K156 WeakPolarHBondContact O-CG 3.49Å; S84-K156 PolarHBondContact O-N 3.41Å; N85-K156 PolarHBondContact OD1-N 2.92Å; K156-A213 VanDerWaalsContact O-CB 3.3Å; K156-A213 WeakPolarHBondContact O-CB 3.5Å |
| 157 | M | 89.9 | Confident | 88.2 | Confident | 52 Ų | 52 | 45 Ų | 45 | 26% | 0.256 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | -16.5 | -177.5 | -62.6 | 177.4 | 68.8 | 0 | 0 | 112.5 | S155 F207 V208 T210 | S155-M157 PolarHBondContact OG-N 2.88Å; M157-F207 WeakPolarHBondContact CE-O 3.2Å; M157-F207 VanDerWaalsContact O-CD2 3.29Å; M157-F207 WeakPolarHBondContact O-CD2 3.12Å; M157-F207 PolarHBondContact O-N 2.92Å; M157-V208 WeakPolarHBondContact CE-O 3.47Å; M157-T210 HydrophobicContact CG-CG2 3.7Å; M157-T210 HydrophobicContact SD-CG2 3.8Å |
| 158 | K | 93.7 | Very high | 88.8 | Confident | 65 Ų | 65 | 42.2 Ų | 42.2 | 28% | 0.283 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 143 | -179.9 | -60.1 | -178.2 | 177.9 | -179.2 | 0 | 111.8 | S155 V204 I205 T206 Y238 | S155-K158 PolarHBondContact OG-N 3.45Å; S155-K158 VanDerWaalsContact OG-N 3.09Å; K158-V204 HydrophobicContact CB-CG1 4.43Å; K158-V204 HydrophobicContact CD-CG1 4.49Å; K158-I205 VanDerWaalsContact CA-O 3.28Å; K158-I205 WeakPolarHBondContact CA-O 3.31Å; K158-T206 HydrophobicContact CG-CG2 4.02Å; K158-Y238 HydrophobicContact CB-CD1 3.85Å; K158-Y238 HydrophobicContact CB-CD2 4.39Å; K158-Y238 HydrophobicContact CB-CG 3.67Å; K158-Y238 HydrophobicContact CD-CD1 3.84Å; K158-Y238 HydrophobicContact CD-CE1 3.87Å; K158-Y238 HydrophobicContact CD-CG 4.23Å; K158-Y238 HydrophobicContact CG-CD1 4.48Å; K158-Y238 WeakPolarHBondContact O-CB 3.36Å |
| 159 | I | 95.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 151.3 | 170.1 | 64.7 | 174.9 | 0 | 0 | 0 | 110.4 | V161 F181 V204 I205 F207 A213 I216 L217 V235 | I159-V161 HydrophobicContact CD1-CG2 4.03Å; I159-V161 HydrophobicContact CG1-CG2 4.15Å; I159-F181 HydrophobicContact CD1-CD1 4.04Å; I159-F181 HydrophobicContact CD1-CE1 3.72Å; I159-V204 WeakPolarHBondContact O-CA 3.48Å; I159-I205 HydrophobicContact CD1-CB 4.43Å; I159-I205 HydrophobicContact CG1-CB 3.91Å; I159-I205 PolarHBondContact N-O 2.79Å; I159-I205 PolarHBondContact O-N 3.11Å; I159-F207 HydrophobicContact CD1-CE2 3.78Å; I159-F207 HydrophobicContact CD1-CZ 3.91Å; I159-F207 HydrophobicContact CG1-CE2 3.85Å; I159-F207 HydrophobicContact CG1-CZ 4.36Å; I159-F207 HydrophobicContact CG2-CE2 4.22Å; I159-A213 HydrophobicContact CG2-CB 3.61Å; I159-I216 HydrophobicContact CD1-CD1 4.09Å; I159-I216 HydrophobicContact CD1-CG2 3.82Å; I159-L217 HydrophobicContact CG2-CD1 4.19Å; I159-L217 HydrophobicContact CG2-CD2 4.02Å; I159-L217 HydrophobicContact CG2-CG 3.97Å; I159-V235 HydrophobicContact CD1-CG1 4.42Å |
| 160 | N | 96.3 | Very high | 89.9 | Confident | 45 Ų | 45 | 47.4 Ų | 47.4 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 136.2 | 166.2 | -74.5 | -32.3 | 0 | 0 | 0 | 109.2 | V235 S236 Y238 | N160-V235 CarbonylContact O-C 3.26Å; N160-V235 WeakPolarHBondContact O-CA 3.31Å; N160-S236 WeakPolarHBondContact CB-OG 3.42Å; N160-S236 PolarHBondContact N-O 2.79Å; N160-S236 PolarHBondContact O-N 3.49Å; N160-Y238 WeakPolarHBondContact OD1-CD2 3.44Å |
| 161 | V | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 126.7 | 175.7 | -171.5 | 0 | 0 | 0 | 0 | 107.9 | I159 I164 F181 S202 A203 I205 V233 T234 V235 | I159-V161 HydrophobicContact CD1-CG2 4.03Å; I159-V161 HydrophobicContact CG1-CG2 4.15Å; V161-I164 HydrophobicContact CB-CD1 4.27Å; V161-I164 HydrophobicContact CG1-CD1 4.12Å; V161-I164 HydrophobicContact CG1-CG1 4.07Å; V161-F181 HydrophobicContact CB-CZ 4.49Å; V161-F181 HydrophobicContact CG1-CE2 4.38Å; V161-F181 HydrophobicContact CG1-CZ 4.02Å; V161-F181 HydrophobicContact CG2-CE1 4.21Å; V161-F181 HydrophobicContact CG2-CE2 4.17Å; V161-F181 HydrophobicContact CG2-CZ 3.65Å; V161-S202 CarbonylContact O-C 3.56Å; V161-S202 WeakPolarHBondContact O-CA 3.48Å; V161-A203 HydrophobicContact CB-CB 4.49Å; V161-A203 PolarHBondContact N-O 2.75Å; V161-A203 PolarHBondContact O-N 3.36Å; V161-I205 HydrophobicContact CG2-CD1 3.63Å; V161-I205 HydrophobicContact CG2-CG1 4.01Å; V161-V233 HydrophobicContact CG1-CB 3.83Å; V161-V233 HydrophobicContact CG1-CG2 3.52Å; V161-T234 CarbonylContact C-O 3.43Å; V161-T234 VanDerWaalsContact CA-O 3.31Å; V161-T234 WeakPolarHBondContact CA-O 3.36Å; V161-V235 HydrophobicContact CG1-CG1 4.43Å; V161-V235 HydrophobicContact CG2-CG1 4.19Å |
| 162 | T | 95.7 | Very high | 91 | Very high | 44 Ų | 44 | 54.3 Ų | 54.3 | 27% | 0.27 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 170.9 | -178.5 | 60.9 | 0 | 0 | 0 | 0 | 110.5 | I164 V233 T234 | T162-I164 VanDerWaalsContact C-N 3.27Å; T162-I164 PolarHBondContact O-N 2.9Å; T162-V233 WeakPolarHBondContact O-CB 3.31Å; T162-T234 PolarHBondContact N-O 2.84Å; T162-T234 PolarHBondContact O-N 2.83Å; T162-T234 VanDerWaalsContact O-N 3.08Å; T162-T234 WeakPolarHBondContact OG1-CB 3.17Å |
| 163 | E | 94.1 | Very high | 91.6 | Very high | 130 Ų | 130 | 52.5 Ų | 52.5 | 61% | 0.607 | 27% | 0.273 | S | S | * | . | trans | 64.8 | 32.3 | -177.9 | -50.4 | 175.2 | 143.7 | 0 | 0 | 112.5 | G201 T234 | E163-G201 PolarHBondContact N-O 2.9Å; E163-T234 WeakPolarHBondContact OE2-CB 3.43Å; E163-T234 PolarHBondContact OE2-OG1 3.49Å | ||
| 164 | I | 93.9 | Very high | 92 | Very high | 9 Ų | 9 | 55.1 Ų | 55.1 | 5% | 0.046 | 28% | 0.281 | C | S | . | . | trans | -73.9 | 124.5 | 178 | -56.9 | 173.1 | 0 | 0 | 0 | 108.3 | V161 T162 M173 L177 Y196 G201 A203 L224 V233 | V161-I164 HydrophobicContact CB-CD1 4.27Å; V161-I164 HydrophobicContact CG1-CD1 4.12Å; V161-I164 HydrophobicContact CG1-CG1 4.07Å; T162-I164 VanDerWaalsContact C-N 3.27Å; T162-I164 PolarHBondContact O-N 2.9Å; I164-M173 HydrophobicContact CG2-CE 4.32Å; I164-M173 HydrophobicContact CG2-CG 4.1Å; I164-M173 HydrophobicContact CG2-SD 3.76Å; I164-L177 HydrophobicContact CD1-CD1 4Å; I164-L177 HydrophobicContact CD1-CD2 4.09Å; I164-L177 HydrophobicContact CG2-CD2 4.44Å; I164-Y196 HydrophobicContact CB-CE2 4.13Å; I164-Y196 HydrophobicContact CD1-CD2 3.98Å; I164-Y196 HydrophobicContact CD1-CE2 3.93Å; I164-Y196 HydrophobicContact CG2-CE2 3.83Å; I164-G201 WeakPolarHBondContact CB-O 3.38Å; I164-G201 WeakPolarHBondContact CG1-O 3.27Å; I164-G201 PolarHBondContact N-O 3.16Å; I164-A203 HydrophobicContact CD1-CB 3.5Å; I164-A203 VanDerWaalsContact CD1-CB 3.5Å; I164-L224 HydrophobicContact CG2-CD2 4.42Å; I164-V233 HydrophobicContact CG1-CG1 4.38Å | ||
| 165 | P | 91.3 | Very high | 92.4 | Very high | 23 Ų | 23 | 56.8 Ų | 56.8 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | trans | -71.7 | 131.4 | -176 | 30.7 | -38 | 0 | 0 | 0 | 111.6 | T167 M173 I226 H231 | P165-T167 VanDerWaalsContact C-N 3.26Å; P165-T167 HydrophobicContact CB-CG2 4.04Å; P165-T167 PolarHBondContact O-N 3.49Å; P165-T167 PolarHBondContact O-OG1 2.82Å; P165-M173 WeakPolarHBondContact O-CE 3.41Å; P165-I226 HydrophobicContact CG-CD1 3.5Å; P165-H231 HydrophobicContact CG-CB 4.09Å | ||
| 166 | D | 88.3 | Confident | 92.7 | Very high | 93 Ų | 93 | 59 Ų | 59 | 50% | 0.497 | 30% | 0.297 | S | S | . | . | trans | -78.4 | 73.5 | 174.6 | -173 | 19.2 | 0 | 0 | 0 | 111.6 | R198 | D166-R198 VanDerWaalsContact CG-NE 3.34Å; D166-R198 IonicContact OD1-CZ 3.51Å; D166-R198 IonicContact OD1-NE 3.29Å; D166-R198 PolarHBondContact OD1-NE 3.1Å; D166-R198 IonicContact OD1-NH2 2.92Å; D166-R198 PolarHBondContact OD1-NH2 3.38Å; D166-R198 IonicContact OD2-CZ 3.5Å; D166-R198 IonicContact OD2-NE 3.91Å; D166-R198 PolarHBondContact OD2-NE 3.39Å; D166-R198 IonicContact OD2-NH2 2.89Å; D166-R198 PolarHBondContact OD2-NH2 3.21Å | ||
| 167 | T | 87.8 | Confident | 93 | Very high | 77 Ų | 77 | 56.7 Ų | 56.7 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | trans | -114.8 | -15.9 | -175.5 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | P165 I226 | P165-T167 VanDerWaalsContact C-N 3.26Å; P165-T167 HydrophobicContact CB-CG2 4.04Å; P165-T167 PolarHBondContact O-N 3.49Å; P165-T167 PolarHBondContact O-OG1 2.82Å; T167-I226 WeakPolarHBondContact OG1-CD1 3.33Å | ||
| 168 | L | 89.1 | Confident | 93.3 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -128.7 | 157.3 | -178.8 | -60.5 | 176.5 | 0 | 0 | 0 | 110.5 | Q172 M173 K176 I226 | L168-Q172 HydrophobicContact CB-CB 4.16Å; L168-Q172 HydrophobicContact CD1-CB 4.42Å; L168-M173 HydrophobicContact CB-CB 4.38Å; L168-M173 HydrophobicContact CB-CE 4.05Å; L168-M173 HydrophobicContact CD1-CE 4.39Å; L168-M173 HydrophobicContact CG-CE 4.27Å; L168-K176 HydrophobicContact CD1-CB 4.33Å; L168-K176 HydrophobicContact CD1-CG 4.43Å; L168-I226 HydrophobicContact CD1-CG2 3.79Å; L168-I226 HydrophobicContact CD2-CG2 4.38Å; L168-I226 HydrophobicContact CG-CG2 4Å |
| 169 | P | 92.3 | Very high | 93.3 | Very high | 67 Ų | 67 | 60.1 Ų | 60.1 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | trans | -55.3 | 152.2 | 165.5 | -22 | 33.4 | 0 | 0 | 0 | 111.6 | D171 Q172 M173 | P169-D171 PolarHBondContact O-N 2.94Å; P169-Q172 PolarHBondContact O-N 2.89Å; P169-M173 PolarHBondContact O-N 3.29Å | ||
| 170 | E | 91.8 | Very high | 93.2 | Very high | 104 Ų | 104 | 60.2 Ų | 60.2 | 49% | 0.486 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -53.1 | -50.7 | -172.6 | -169.7 | 177 | 156.2 | 0 | 0 | 113.4 | Q172 M173 R174 Y196 | E170-Q172 VanDerWaalsContact C-N 3.32Å; E170-Q172 PolarHBondContact O-N 3.23Å; E170-M173 PolarHBondContact O-N 3.28Å; E170-M173 VanDerWaalsContact O-N 3.16Å; E170-R174 PolarHBondContact O-N 3.31Å; E170-Y196 HydrophobicContact CG-CD1 4.01Å; E170-Y196 HydrophobicContact CG-CE1 4.33Å |
| 171 | D | 92.1 | Very high | 93.1 | Very high | 115 Ų | 115 | 58.1 Ų | 58.1 | 62% | 0.615 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -58 | -44.5 | 177.9 | -61.3 | -40.3 | 0 | 0 | 0 | 111.9 | P169 M173 R174 D175 | P169-D171 PolarHBondContact O-N 2.94Å; D171-M173 PolarHBondContact O-N 2.92Å; D171-R174 PolarHBondContact O-N 2.84Å; D171-D175 VanDerWaalsContact O-CG 3.27Å; D171-D175 PolarHBondContact O-N 2.96Å |
| 172 | Q | 93.4 | Very high | 92.9 | Very high | 107 Ų | 107 | 60.4 Ų | 60.4 | 50% | 0.5 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.3 | -35.2 | 179.6 | -65.2 | -175.8 | 21 | 0 | 0 | 112 | L168 P169 E170 K176 | L168-Q172 HydrophobicContact CB-CB 4.16Å; L168-Q172 HydrophobicContact CD1-CB 4.42Å; P169-Q172 PolarHBondContact O-N 2.89Å; E170-Q172 VanDerWaalsContact C-N 3.32Å; E170-Q172 PolarHBondContact O-N 3.23Å; Q172-K176 WeakPolarHBondContact O-CB 3.2Å; Q172-K176 PolarHBondContact O-N 3.17Å |
| 173 | M | 94.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 175.8 | -176.6 | 59 | 70.3 | 0 | 0 | 110.7 | I164 P165 L168 P169 E170 D171 K176 L177 Y196 I226 | I164-M173 HydrophobicContact CG2-CE 4.32Å; I164-M173 HydrophobicContact CG2-CG 4.1Å; I164-M173 HydrophobicContact CG2-SD 3.76Å; P165-M173 WeakPolarHBondContact O-CE 3.41Å; L168-M173 HydrophobicContact CB-CB 4.38Å; L168-M173 HydrophobicContact CB-CE 4.05Å; L168-M173 HydrophobicContact CD1-CE 4.39Å; L168-M173 HydrophobicContact CG-CE 4.27Å; P169-M173 PolarHBondContact O-N 3.29Å; E170-M173 PolarHBondContact O-N 3.28Å; E170-M173 VanDerWaalsContact O-N 3.16Å; D171-M173 PolarHBondContact O-N 2.92Å; M173-K176 WeakPolarHBondContact O-CB 3.26Å; M173-K176 PolarHBondContact O-N 3.1Å; M173-L177 HydrophobicContact CG-CD1 4.07Å; M173-L177 HydrophobicContact CG-CG 4.42Å; M173-L177 VanDerWaalsContact O-CG 3.27Å; M173-L177 WeakPolarHBondContact O-CG 2.85Å; M173-L177 PolarHBondContact O-N 2.87Å; M173-L177 HydrophobicContact SD-CG 4.36Å; M173-Y196 HydrophobicContact CB-CD1 4.06Å; M173-Y196 HydrophobicContact CB-CE1 3.67Å; M173-Y196 HydrophobicContact CG-CD1 3.95Å; M173-Y196 HydrophobicContact CG-CE1 3.49Å; M173-Y196 VanDerWaalsContact CG-CE1 3.49Å; M173-Y196 HydrophobicContact CG-CE2 4.16Å; M173-Y196 HydrophobicContact CG-CG 4.47Å; M173-I226 HydrophobicContact CE-CD1 3.71Å; M173-I226 HydrophobicContact SD-CD1 4.06Å |
| 174 | R | 94.8 | Very high | 92.3 | Very high | 106 Ų | 106 | 60.1 Ų | 60.1 | 40% | 0.4 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.8 | -52 | 176.4 | -169.4 | -170.4 | 71.3 | 162.5 | 2 | 111.3 | E170 D171 K176 L177 E178 V194 | E170-R174 PolarHBondContact O-N 3.31Å; D171-R174 PolarHBondContact O-N 2.84Å; R174-K176 PolarHBondContact O-N 3.23Å; R174-L177 WeakPolarHBondContact O-CB 3.03Å; R174-L177 PolarHBondContact O-N 2.87Å; R174-L177 VanDerWaalsContact O-N 3.16Å; R174-E178 PolarHBondContact O-N 2.84Å; R174-V194 WeakPolarHBondContact CD-O 3.35Å; R174-V194 HydrophobicContact CG-CB 3.85Å; R174-V194 HydrophobicContact CG-CG1 3.88Å |
| 175 | D | 94.4 | Very high | 92 | Very high | 74 Ų | 74 | 67.7 Ų | 67.7 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59 | -36.5 | 176.8 | -66 | -6.7 | 0 | 0 | 0 | 110.9 | D171 L179 | D171-D175 VanDerWaalsContact O-CG 3.27Å; D171-D175 PolarHBondContact O-N 2.96Å; D175-L179 WeakPolarHBondContact O-CB 3.31Å; D175-L179 VanDerWaalsContact O-CG 3.26Å; D175-L179 WeakPolarHBondContact O-CG 3.44Å; D175-L179 PolarHBondContact O-N 2.98Å |
| 176 | K | 94.7 | Very high | 91.6 | Very high | 56 Ų | 56 | 67.5 Ų | 67.5 | 24% | 0.243 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.6 | -41.4 | 178.7 | -173.3 | 62.2 | 179.8 | -167.3 | 0 | 113 | L168 Q172 M173 R174 S180 Y225 I226 | L168-K176 HydrophobicContact CD1-CB 4.33Å; L168-K176 HydrophobicContact CD1-CG 4.43Å; Q172-K176 WeakPolarHBondContact O-CB 3.2Å; Q172-K176 PolarHBondContact O-N 3.17Å; M173-K176 WeakPolarHBondContact O-CB 3.26Å; M173-K176 PolarHBondContact O-N 3.1Å; R174-K176 PolarHBondContact O-N 3.23Å; K176-S180 VanDerWaalsContact O-CB 3.29Å; K176-S180 WeakPolarHBondContact O-CB 3.45Å; K176-S180 PolarHBondContact O-N 2.8Å; K176-Y225 WeakPolarHBondContact CE-O 3.31Å; K176-Y225 PolarHBondContact NZ-O 2.84Å; K176-I226 HydrophobicContact CG-CG1 4.39Å |
| 177 | L | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.9 | -51.2 | 174.4 | -71.9 | 164.2 | 0 | 0 | 0 | 109.4 | I164 M173 R174 L179 S180 F181 V194 Y196 A203 L224 | I164-L177 HydrophobicContact CD1-CD1 4Å; I164-L177 HydrophobicContact CD1-CD2 4.09Å; I164-L177 HydrophobicContact CG2-CD2 4.44Å; M173-L177 HydrophobicContact CG-CD1 4.07Å; M173-L177 HydrophobicContact CG-CG 4.42Å; M173-L177 VanDerWaalsContact O-CG 3.27Å; M173-L177 WeakPolarHBondContact O-CG 2.85Å; M173-L177 PolarHBondContact O-N 2.87Å; M173-L177 HydrophobicContact SD-CG 4.36Å; R174-L177 WeakPolarHBondContact O-CB 3.03Å; R174-L177 PolarHBondContact O-N 2.87Å; R174-L177 VanDerWaalsContact O-N 3.16Å; L177-L179 PolarHBondContact O-N 3.45Å; L177-S180 WeakPolarHBondContact O-CB 3.37Å; L177-S180 PolarHBondContact O-N 2.98Å; L177-F181 HydrophobicContact CD2-CE2 4.05Å; L177-F181 VanDerWaalsContact O-CD2 3.27Å; L177-F181 WeakPolarHBondContact O-CD2 3.43Å; L177-F181 PolarHBondContact O-N 3.09Å; L177-V194 HydrophobicContact CB-CG1 4.06Å; L177-V194 HydrophobicContact CD1-CG1 4.17Å; L177-Y196 HydrophobicContact CD1-CD2 3.9Å; L177-Y196 HydrophobicContact CD1-CG 4.05Å; L177-A203 HydrophobicContact CD1-CB 3.88Å; L177-L224 HydrophobicContact CD2-CD1 4.18Å; L177-L224 HydrophobicContact CD2-CD2 3.95Å |
| 178 | E | 95.4 | Very high | 91.6 | Very high | 72 Ų | 72 | 60.5 Ų | 60.5 | 34% | 0.336 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -52.6 | -54.5 | 177.5 | -169.8 | -178.3 | 164.4 | 0 | 0 | 111.6 | R174 S180 F181 C182 V191 V194 | R174-E178 PolarHBondContact O-N 2.84Å; E178-S180 PolarHBondContact O-N 2.91Å; E178-F181 PolarHBondContact O-N 3.41Å; E178-C182 WeakPolarHBondContact O-CB 3.3Å; E178-C182 PolarHBondContact O-N 2.59Å; E178-C182 PolarHBondContact O-SG 3.33Å; E178-C182 VanDerWaalsContact O-SG 3.34Å; E178-V191 HydrophobicContact CG-CB 4.01Å; E178-V191 HydrophobicContact CG-CG1 3.95Å; E178-V194 HydrophobicContact CB-CG2 3.82Å; E178-V194 HydrophobicContact CG-CG2 4.3Å |
| 179 | L | 93.9 | Very high | 91.8 | Very high | 116 Ų | 116 | 59.8 Ų | 59.8 | 61% | 0.607 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.5 | -30.5 | 178 | -72.5 | 173.2 | 0 | 0 | 0 | 113.7 | D175 L177 K183 | D175-L179 WeakPolarHBondContact O-CB 3.31Å; D175-L179 VanDerWaalsContact O-CG 3.26Å; D175-L179 WeakPolarHBondContact O-CG 3.44Å; D175-L179 PolarHBondContact O-N 2.98Å; L177-L179 PolarHBondContact O-N 3.45Å; L179-K183 WeakPolarHBondContact O-CE 3.25Å; L179-K183 WeakPolarHBondContact O-CG 3.37Å |
| 180 | S | 92.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.2 | -50.6 | 177.6 | -163.2 | 0 | 0 | 0 | 0 | 110.2 | K176 L177 E178 C182 K183 Y222 | K176-S180 VanDerWaalsContact O-CB 3.29Å; K176-S180 WeakPolarHBondContact O-CB 3.45Å; K176-S180 PolarHBondContact O-N 2.8Å; L177-S180 WeakPolarHBondContact O-CB 3.37Å; L177-S180 PolarHBondContact O-N 2.98Å; E178-S180 PolarHBondContact O-N 2.91Å; S180-C182 VanDerWaalsContact C-N 3.31Å; S180-C182 PolarHBondContact O-N 3.17Å; S180-K183 VanDerWaalsContact O-CB 3.29Å; S180-K183 WeakPolarHBondContact O-CB 3.35Å; S180-K183 PolarHBondContact O-N 3.2Å; S180-Y222 PolarHBondContact O-OH 3.08Å |
| 181 | F | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -75.3 | -16.5 | -176.2 | -76.6 | -86 | 0 | 0 | 0 | 113.8 | I159 V161 L177 E178 K183 G188 G189 V191 I205 F207 I216 Y222 V233 V235 | I159-F181 HydrophobicContact CD1-CD1 4.04Å; I159-F181 HydrophobicContact CD1-CE1 3.72Å; V161-F181 HydrophobicContact CB-CZ 4.49Å; V161-F181 HydrophobicContact CG1-CE2 4.38Å; V161-F181 HydrophobicContact CG1-CZ 4.02Å; V161-F181 HydrophobicContact CG2-CE1 4.21Å; V161-F181 HydrophobicContact CG2-CE2 4.17Å; V161-F181 HydrophobicContact CG2-CZ 3.65Å; L177-F181 HydrophobicContact CD2-CE2 4.05Å; L177-F181 VanDerWaalsContact O-CD2 3.27Å; L177-F181 WeakPolarHBondContact O-CD2 3.43Å; L177-F181 PolarHBondContact O-N 3.09Å; E178-F181 PolarHBondContact O-N 3.41Å; F181-K183 PolarHBondContact O-N 2.85Å; F181-G188 CarbonylContact O-C 3.55Å; F181-G188 WeakPolarHBondContact O-CA 3.33Å; F181-G189 PolarHBondContact O-N 3.41Å; F181-V191 HydrophobicContact CB-CG2 3.95Å; F181-I205 HydrophobicContact CB-CD1 4.02Å; F181-I205 HydrophobicContact CB-CG2 4.25Å; F181-I205 HydrophobicContact CD1-CD1 3.8Å; F181-I205 HydrophobicContact CD2-CD1 3.03Å; F181-I205 HydrophobicContact CE1-CD1 3.96Å; F181-I205 HydrophobicContact CE2-CD1 3.24Å; F181-I205 HydrophobicContact CG-CD1 3.33Å; F181-I205 HydrophobicContact CZ-CD1 3.71Å; F181-F207 HydrophobicContact CB-CE1 4.13Å; F181-F207 HydrophobicContact CB-CZ 4.3Å; F181-F207 HydrophobicContact CD1-CZ 4.14Å; F181-I216 HydrophobicContact CD1-CD1 4.04Å; F181-I216 HydrophobicContact CE1-CG2 4.36Å; F181-Y222 HydrophobicContact CD1-CD2 4.22Å; F181-Y222 HydrophobicContact CD1-CE1 4.26Å; F181-Y222 AromaticContact CD1-CE2 3.88Å; F181-Y222 HydrophobicContact CD1-CE2 3.88Å; F181-Y222 AromaticContact CD1-CZ 3.91Å; F181-Y222 HydrophobicContact CD2-CE1 4.5Å; F181-Y222 AromaticContact CE1-CD1 3.85Å; F181-Y222 HydrophobicContact CE1-CD1 3.85Å; F181-Y222 AromaticContact CE1-CD2 3.66Å; F181-Y222 HydrophobicContact CE1-CD2 3.66Å; F181-Y222 HydrophobicContact CE1-CE1 4.05Å; F181-Y222 AromaticContact CE1-CE2 3.81Å; F181-Y222 HydrophobicContact CE1-CE2 3.81Å; F181-Y222 AromaticContact CE1-CG 3.66Å; F181-Y222 HydrophobicContact CE1-CG 3.66Å; F181-Y222 HydrophobicContact CE2-CD1 4.2Å; F181-Y222 HydrophobicContact CE2-CE1 4.3Å; F181-Y222 HydrophobicContact CG-CE1 4.5Å; F181-Y222 AromaticContact CZ-CD1 3.68Å; F181-Y222 HydrophobicContact CZ-CD1 3.68Å; F181-Y222 HydrophobicContact CZ-CD2 4.28Å; F181-Y222 HydrophobicContact CZ-CE1 4.08Å; F181-Y222 AromaticContact CZ-CG 3.8Å; F181-Y222 HydrophobicContact CZ-CG 3.8Å; F181-V233 HydrophobicContact CZ-CG2 4.45Å; F181-V235 HydrophobicContact CE1-CG1 4.27Å; F181-V235 HydrophobicContact CZ-CG1 4.32Å |
| 182 | C | 93 | Very high | 92.2 | Very high | 48 Ų | 48 | 58 Ų | 58 | 32% | 0.324 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.2 | 164.6 | -78.5 | 0 | 0 | 0 | 0 | 114.2 | E178 S180 S184 G189 | E178-C182 WeakPolarHBondContact O-CB 3.3Å; E178-C182 PolarHBondContact O-N 2.59Å; E178-C182 PolarHBondContact O-SG 3.33Å; E178-C182 VanDerWaalsContact O-SG 3.34Å; S180-C182 VanDerWaalsContact C-N 3.31Å; S180-C182 PolarHBondContact O-N 3.17Å; C182-S184 PolarHBondContact O-N 3.39Å; C182-G189 VanDerWaalsContact CA-O 3.32Å; C182-G189 WeakPolarHBondContact CA-O 3.11Å |
| 183 | K | 90.9 | Very high | 92.2 | Very high | 72 Ų | 72 | 57.3 Ų | 57.3 | 31% | 0.313 | 29% | 0.288 | S | S | . | . | trans | -79.1 | 108.3 | -173.5 | -66.8 | 173.4 | -176.8 | 174.6 | 0 | 112.5 | L179 S180 F181 R185 N186 G188 | L179-K183 WeakPolarHBondContact O-CE 3.25Å; L179-K183 WeakPolarHBondContact O-CG 3.37Å; S180-K183 VanDerWaalsContact O-CB 3.29Å; S180-K183 WeakPolarHBondContact O-CB 3.35Å; S180-K183 PolarHBondContact O-N 3.2Å; F181-K183 PolarHBondContact O-N 2.85Å; K183-R185 HydrophobicContact CB-CG 4.26Å; K183-R185 PolarHBondContact O-N 2.85Å; K183-R185 VanDerWaalsContact O-N 3.14Å; K183-N186 PolarHBondContact O-N 3.25Å; K183-N186 VanDerWaalsContact O-N 3.09Å; K183-G188 WeakPolarHBondContact O-CA 3.34Å; K183-G188 PolarHBondContact O-N 2.95Å; K183-G188 VanDerWaalsContact O-N 3.14Å | ||
| 184 | S | 86.6 | Confident | 92.3 | Very high | 96 Ų | 96 | 57.5 Ų | 57.5 | 67% | 0.671 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -58.9 | -28.6 | 176.9 | -39.2 | 0 | 0 | 0 | 0 | 114 | C182 N186 G187 G188 | C182-S184 PolarHBondContact O-N 3.39Å; S184-N186 PolarHBondContact O-N 3.32Å; S184-N186 VanDerWaalsContact O-N 3.12Å; S184-G187 PolarHBondContact O-N 3.19Å; S184-G188 WeakPolarHBondContact CA-O 3.23Å |
| 185 | R | 85.8 | Confident | 92.4 | Very high | 168 Ų | 168 | 57.1 Ų | 57.1 | 63% | 0.634 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -56.5 | -30.3 | 176.8 | 78.3 | -175.2 | -177.2 | 179.1 | 2.4 | 113.2 | K183 | K183-R185 HydrophobicContact CB-CG 4.26Å; K183-R185 PolarHBondContact O-N 2.85Å; K183-R185 VanDerWaalsContact O-N 3.14Å |
| 186 | N | 84.8 | Confident | 92.5 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 10% | 0.102 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -94.7 | 1.1 | -179.9 | -72.3 | -12.9 | 0 | 0 | 0 | 112.3 | K183 S184 K219 Y222 | K183-N186 PolarHBondContact O-N 3.25Å; K183-N186 VanDerWaalsContact O-N 3.09Å; S184-N186 PolarHBondContact O-N 3.32Å; S184-N186 VanDerWaalsContact O-N 3.12Å; N186-K219 PolarHBondContact O-NZ 3.02Å; N186-Y222 HydrophobicContact CB-CE1 4.47Å; N186-Y222 HydrophobicContact CB-CE2 3.7Å; N186-Y222 WeakPolarHBondContact CB-OH 3.32Å; N186-Y222 PolarHBondContact ND2-OH 3.41Å |
| 187 | G | 86.2 | Confident | 92.5 | Very high | 15 Ų | 15 | 54.8 Ų | 54.8 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | 5.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S184 I216 | S184-G187 PolarHBondContact O-N 3.19Å; G187-I216 WeakPolarHBondContact O-CG1 3.47Å |
| 188 | G | 89.2 | Confident | 92.4 | Very high | 9 Ų | 9 | 59.8 Ų | 59.8 | 9% | 0.093 | 30% | 0.304 | C | S | . | . | trans | -70.7 | 177.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F181 K183 S184 | F181-G188 CarbonylContact O-C 3.55Å; F181-G188 WeakPolarHBondContact O-CA 3.33Å; K183-G188 WeakPolarHBondContact O-CA 3.34Å; K183-G188 PolarHBondContact O-N 2.95Å; K183-G188 VanDerWaalsContact O-N 3.14Å; S184-G188 WeakPolarHBondContact CA-O 3.23Å | ||
| 189 | G | 92.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 65.5 Ų | 65.5 | 8% | 0.082 | 33% | 0.331 | C | S | . | . | trans | -166.6 | 177 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | F181 C182 V191 | F181-G189 PolarHBondContact O-N 3.41Å; C182-G189 VanDerWaalsContact CA-O 3.32Å; C182-G189 WeakPolarHBondContact CA-O 3.11Å; G189-V191 PolarHBondContact O-N 3.13Å | ||
| 190 | E | 94.3 | Very high | 92.2 | Very high | 126 Ų | 126 | 63.1 Ų | 63.1 | 59% | 0.589 | 32% | 0.324 | S | S | * | . | trans | -54.2 | 123.6 | -177.1 | -169.2 | 171.5 | -178.6 | 0 | 0 | 111.3 | F207 V208 | E190-F207 WeakPolarHBondContact O-CA 3.43Å; E190-V208 HydrophobicContact CB-CB 4.29Å; E190-V208 HydrophobicContact CB-CG2 4.22Å; E190-V208 HydrophobicContact CG-CB 4.37Å; E190-V208 HydrophobicContact CG-CG2 3.82Å; E190-V208 PolarHBondContact O-N 3.29Å | ||
| 191 | V | 95.9 | Very high | 92.2 | Very high | 11 Ų | 11 | 63.6 Ų | 63.6 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 127.8 | -179.6 | 176.1 | 0 | 0 | 0 | 0 | 108 | E178 F181 G189 V194 I205 F207 | E178-V191 HydrophobicContact CG-CB 4.01Å; E178-V191 HydrophobicContact CG-CG1 3.95Å; F181-V191 HydrophobicContact CB-CG2 3.95Å; G189-V191 PolarHBondContact O-N 3.13Å; V191-V194 HydrophobicContact CG1-CG2 3.68Å; V191-I205 HydrophobicContact CG1-CG2 3.94Å; V191-I205 HydrophobicContact CG2-CG2 4.04Å; V191-F207 HydrophobicContact CG2-CD1 3.96Å; V191-F207 HydrophobicContact CG2-CE1 3.79Å |
| 192 | D | 94.8 | Very high | 92.3 | Very high | 111 Ų | 111 | 65.2 Ų | 65.2 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -45.6 | 174.9 | -179.9 | 66.6 | 0 | 0 | 0 | 110.8 | T206 V208 | D192-T206 HydrophobicContact CB-CG2 4.23Å; D192-T206 PolarHBondContact N-O 2.84Å; D192-V208 HydrophobicContact CB-CG2 3.84Å |
| 193 | H | 94.1 | Very high | 92.5 | Very high | 93 Ų | 93 | 63.1 Ų | 63.1 | 43% | 0.431 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 145.8 | -176.9 | -173 | -91.5 | 0 | 0 | 0 | 112.4 | T206 | H193-T206 PolarHBondContact N-O 3.29Å; H193-T206 PolarHBondContact O-N 2.79Å |
| 194 | V | 96.7 | Very high | 92.8 | Very high | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 117.1 | 169.9 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | R174 L177 E178 V191 A203 I205 | R174-V194 WeakPolarHBondContact CD-O 3.35Å; R174-V194 HydrophobicContact CG-CB 3.85Å; R174-V194 HydrophobicContact CG-CG1 3.88Å; L177-V194 HydrophobicContact CB-CG1 4.06Å; L177-V194 HydrophobicContact CD1-CG1 4.17Å; E178-V194 HydrophobicContact CB-CG2 3.82Å; E178-V194 HydrophobicContact CG-CG2 4.3Å; V191-V194 HydrophobicContact CG1-CG2 3.68Å; V194-A203 HydrophobicContact CG1-CB 4.44Å; V194-I205 HydrophobicContact CG1-CG1 4.47Å; V194-I205 HydrophobicContact CG2-CG1 4.49Å; V194-I205 HydrophobicContact CG2-CG2 4.48Å |
| 195 | D | 96.2 | Very high | 93.3 | Very high | 97 Ų | 97 | 56.6 Ų | 56.6 | 52% | 0.519 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 106.4 | 170.3 | -169.9 | -4.8 | 0 | 0 | 0 | 108.2 | A203 V204 | D195-A203 CarbonylContact O-C 3.53Å; D195-A203 WeakPolarHBondContact O-CA 3.5Å; D195-V204 HydrophobicContact CB-CB 4.27Å; D195-V204 PolarHBondContact N-O 3.35Å; D195-V204 PolarHBondContact O-N 3.26Å |
| 196 | Y | 96.1 | Very high | 93.7 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 4% | 0.043 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 122.9 | -176.1 | 172.7 | -123.8 | 0 | 0 | 0 | 110.2 | I164 E170 M173 L177 R198 S202 A203 | I164-Y196 HydrophobicContact CB-CE2 4.13Å; I164-Y196 HydrophobicContact CD1-CD2 3.98Å; I164-Y196 HydrophobicContact CD1-CE2 3.93Å; I164-Y196 HydrophobicContact CG2-CE2 3.83Å; E170-Y196 HydrophobicContact CG-CD1 4.01Å; E170-Y196 HydrophobicContact CG-CE1 4.33Å; M173-Y196 HydrophobicContact CB-CD1 4.06Å; M173-Y196 HydrophobicContact CB-CE1 3.67Å; M173-Y196 HydrophobicContact CG-CD1 3.95Å; M173-Y196 HydrophobicContact CG-CE1 3.49Å; M173-Y196 VanDerWaalsContact CG-CE1 3.49Å; M173-Y196 HydrophobicContact CG-CE2 4.16Å; M173-Y196 HydrophobicContact CG-CG 4.47Å; L177-Y196 HydrophobicContact CD1-CD2 3.9Å; L177-Y196 HydrophobicContact CD1-CG 4.05Å; Y196-R198 HydrophobicContact CE1-CB 3.95Å; Y196-R198 HydrophobicContact CE1-CG 4.35Å; Y196-S202 WeakPolarHBondContact CD2-O 3.34Å; Y196-A203 HydrophobicContact CD2-CB 4.04Å |
| 197 | D | 94.9 | Very high | 94.2 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 109.8 | 170.2 | 174.5 | 22.1 | 0 | 0 | 0 | 110.1 | Q199 S200 G201 S202 | D197-Q199 VanDerWaalsContact C-N 3.32Å; D197-Q199 PolarHBondContact O-N 2.89Å; D197-Q199 PolarHBondContact OD1-N 2.61Å; D197-S200 WeakPolarHBondContact CB-OG 3.31Å; D197-S200 VanDerWaalsContact CG-OG 3.25Å; D197-S200 WeakPolarHBondContact OD2-CB 3.35Å; D197-S200 PolarHBondContact OD2-N 3.33Å; D197-S200 PolarHBondContact OD2-OG 2.91Å; D197-G201 PolarHBondContact O-N 2.82Å; D197-S202 PolarHBondContact N-O 3.22Å; D197-S202 PolarHBondContact O-N 3.11Å; D197-S202 VanDerWaalsContact O-N 3.13Å |
| 198 | R | 92.6 | Very high | 94.4 | Very high | 105 Ų | 105 | 51 Ų | 51 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -32.7 | 178.3 | -171.1 | 176.2 | -177.3 | -167.9 | -1.8 | 112.9 | D166 Y196 G201 | D166-R198 VanDerWaalsContact CG-NE 3.34Å; D166-R198 IonicContact OD1-CZ 3.51Å; D166-R198 IonicContact OD1-NE 3.29Å; D166-R198 PolarHBondContact OD1-NE 3.1Å; D166-R198 IonicContact OD1-NH2 2.92Å; D166-R198 PolarHBondContact OD1-NH2 3.38Å; D166-R198 IonicContact OD2-CZ 3.5Å; D166-R198 IonicContact OD2-NE 3.91Å; D166-R198 PolarHBondContact OD2-NE 3.39Å; D166-R198 IonicContact OD2-NH2 2.89Å; D166-R198 PolarHBondContact OD2-NH2 3.21Å; Y196-R198 HydrophobicContact CE1-CB 3.95Å; Y196-R198 HydrophobicContact CE1-CG 4.35Å; R198-G201 PolarHBondContact O-N 3.47Å |
| 199 | Q | 92.1 | Very high | 94.4 | Very high | 192 Ų | 192 | 56 Ų | 56 | 90% | 0.897 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -42.2 | -176 | -64.2 | -173.7 | 11.5 | 0 | 0 | 111.8 | D197 G201 | D197-Q199 VanDerWaalsContact C-N 3.32Å; D197-Q199 PolarHBondContact O-N 2.89Å; D197-Q199 PolarHBondContact OD1-N 2.61Å; Q199-G201 VanDerWaalsContact C-N 3.34Å |
| 200 | S | 92.4 | Very high | 93.9 | Very high | 66 Ų | 66 | 60 Ų | 60 | 46% | 0.462 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -6.9 | 174.8 | 65.4 | 0 | 0 | 0 | 0 | 113.9 | D197 S202 | D197-S200 WeakPolarHBondContact CB-OG 3.31Å; D197-S200 VanDerWaalsContact CG-OG 3.25Å; D197-S200 WeakPolarHBondContact OD2-CB 3.35Å; D197-S200 PolarHBondContact OD2-N 3.33Å; D197-S200 PolarHBondContact OD2-OG 2.91Å; S200-S202 PolarHBondContact O-N 3.33Å; S200-S202 PolarHBondContact O-OG 3.37Å; S200-S202 VanDerWaalsContact O-OG 3.08Å; S200-S202 WeakPolarHBondContact OG-CB 3.41Å |
| 201 | G | 94.1 | Very high | 93.4 | Very high | 14 Ų | 14 | 54.9 Ų | 54.9 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 35.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E163 I164 D197 R198 Q199 | E163-G201 PolarHBondContact N-O 2.9Å; I164-G201 WeakPolarHBondContact CB-O 3.38Å; I164-G201 WeakPolarHBondContact CG1-O 3.27Å; I164-G201 PolarHBondContact N-O 3.16Å; D197-G201 PolarHBondContact O-N 2.82Å; R198-G201 PolarHBondContact O-N 3.47Å; Q199-G201 VanDerWaalsContact C-N 3.34Å |
| 202 | S | 96.1 | Very high | 93.1 | Very high | 33 Ų | 33 | 54.5 Ų | 54.5 | 23% | 0.231 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 151.5 | -172 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | V161 Y196 D197 S200 | V161-S202 CarbonylContact O-C 3.56Å; V161-S202 WeakPolarHBondContact O-CA 3.48Å; Y196-S202 WeakPolarHBondContact CD2-O 3.34Å; D197-S202 PolarHBondContact N-O 3.22Å; D197-S202 PolarHBondContact O-N 3.11Å; D197-S202 VanDerWaalsContact O-N 3.13Å; S200-S202 PolarHBondContact O-N 3.33Å; S200-S202 PolarHBondContact O-OG 3.37Å; S200-S202 VanDerWaalsContact O-OG 3.08Å; S200-S202 WeakPolarHBondContact OG-CB 3.41Å |
| 203 | A | 96.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 146 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V161 I164 L177 V194 D195 Y196 | V161-A203 HydrophobicContact CB-CB 4.49Å; V161-A203 PolarHBondContact N-O 2.75Å; V161-A203 PolarHBondContact O-N 3.36Å; I164-A203 HydrophobicContact CD1-CB 3.5Å; I164-A203 VanDerWaalsContact CD1-CB 3.5Å; L177-A203 HydrophobicContact CD1-CB 3.88Å; V194-A203 HydrophobicContact CG1-CB 4.44Å; D195-A203 CarbonylContact O-C 3.53Å; D195-A203 WeakPolarHBondContact O-CA 3.5Å; Y196-A203 HydrophobicContact CD2-CB 4.04Å |
| 204 | V | 97 | Very high | 92.6 | Very high | 31 Ų | 31 | 48.1 Ų | 48.1 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 122.6 | 165.6 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | K158 I159 D195 Y238 | K158-V204 HydrophobicContact CB-CG1 4.43Å; K158-V204 HydrophobicContact CD-CG1 4.49Å; I159-V204 WeakPolarHBondContact O-CA 3.48Å; D195-V204 HydrophobicContact CB-CB 4.27Å; D195-V204 PolarHBondContact N-O 3.35Å; D195-V204 PolarHBondContact O-N 3.26Å; V204-Y238 HydrophobicContact CG1-CD2 3.58Å; V204-Y238 HydrophobicContact CG1-CE2 3.8Å; V204-Y238 HydrophobicContact CG1-CG 4.41Å; V204-Y238 HydrophobicContact CG2-CD2 4.18Å; V204-Y238 HydrophobicContact CG2-CE2 4.09Å |
| 205 | I | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.4 | 179.5 | -54.7 | -175.9 | 0 | 0 | 0 | 108.4 | K158 I159 V161 F181 V191 V194 F207 | K158-I205 VanDerWaalsContact CA-O 3.28Å; K158-I205 WeakPolarHBondContact CA-O 3.31Å; I159-I205 HydrophobicContact CD1-CB 4.43Å; I159-I205 HydrophobicContact CG1-CB 3.91Å; I159-I205 PolarHBondContact N-O 2.79Å; I159-I205 PolarHBondContact O-N 3.11Å; V161-I205 HydrophobicContact CG2-CD1 3.63Å; V161-I205 HydrophobicContact CG2-CG1 4.01Å; F181-I205 HydrophobicContact CB-CD1 4.02Å; F181-I205 HydrophobicContact CB-CG2 4.25Å; F181-I205 HydrophobicContact CD1-CD1 3.8Å; F181-I205 HydrophobicContact CD2-CD1 3.03Å; F181-I205 HydrophobicContact CE1-CD1 3.96Å; F181-I205 HydrophobicContact CE2-CD1 3.24Å; F181-I205 HydrophobicContact CG-CD1 3.33Å; F181-I205 HydrophobicContact CZ-CD1 3.71Å; V191-I205 HydrophobicContact CG1-CG2 3.94Å; V191-I205 HydrophobicContact CG2-CG2 4.04Å; V194-I205 HydrophobicContact CG1-CG1 4.47Å; V194-I205 HydrophobicContact CG2-CG1 4.49Å; V194-I205 HydrophobicContact CG2-CG2 4.48Å; I205-F207 HydrophobicContact CB-CZ 4.42Å; I205-F207 HydrophobicContact CG2-CE1 3.94Å; I205-F207 HydrophobicContact CG2-CE2 4.08Å; I205-F207 HydrophobicContact CG2-CZ 3.65Å |
| 206 | T | 95.4 | Very high | 92 | Very high | 21 Ų | 21 | 49 Ų | 49 | 13% | 0.129 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125.2 | 177 | -53.3 | 0 | 0 | 0 | 0 | 109 | K158 D192 H193 | K158-T206 HydrophobicContact CG-CG2 4.02Å; D192-T206 HydrophobicContact CB-CG2 4.23Å; D192-T206 PolarHBondContact N-O 2.84Å; H193-T206 PolarHBondContact N-O 3.29Å; H193-T206 PolarHBondContact O-N 2.79Å |
| 207 | F | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 151.3 | 176.8 | -60.5 | -76.6 | 0 | 0 | 0 | 111.1 | M157 I159 F181 E190 V191 I205 V212 A213 I216 | M157-F207 WeakPolarHBondContact CE-O 3.2Å; M157-F207 VanDerWaalsContact O-CD2 3.29Å; M157-F207 WeakPolarHBondContact O-CD2 3.12Å; M157-F207 PolarHBondContact O-N 2.92Å; I159-F207 HydrophobicContact CD1-CE2 3.78Å; I159-F207 HydrophobicContact CD1-CZ 3.91Å; I159-F207 HydrophobicContact CG1-CE2 3.85Å; I159-F207 HydrophobicContact CG1-CZ 4.36Å; I159-F207 HydrophobicContact CG2-CE2 4.22Å; F181-F207 HydrophobicContact CB-CE1 4.13Å; F181-F207 HydrophobicContact CB-CZ 4.3Å; F181-F207 HydrophobicContact CD1-CZ 4.14Å; E190-F207 WeakPolarHBondContact O-CA 3.43Å; V191-F207 HydrophobicContact CG2-CD1 3.96Å; V191-F207 HydrophobicContact CG2-CE1 3.79Å; I205-F207 HydrophobicContact CB-CZ 4.42Å; I205-F207 HydrophobicContact CG2-CE1 3.94Å; I205-F207 HydrophobicContact CG2-CE2 4.08Å; I205-F207 HydrophobicContact CG2-CZ 3.65Å; F207-V212 HydrophobicContact CB-CB 4.17Å; F207-V212 HydrophobicContact CB-CG1 4.42Å; F207-V212 HydrophobicContact CD1-CB 4.2Å; F207-V212 HydrophobicContact CD1-CG1 3.52Å; F207-V212 HydrophobicContact CD2-CB 4.3Å; F207-V212 HydrophobicContact CD2-CG1 4.09Å; F207-V212 HydrophobicContact CE1-CG1 3.71Å; F207-V212 HydrophobicContact CE2-CG1 4.27Å; F207-V212 HydrophobicContact CG-CB 3.96Å; F207-V212 HydrophobicContact CG-CG1 3.74Å; F207-V212 HydrophobicContact CZ-CG1 4.11Å; F207-A213 HydrophobicContact CD2-CB 4.4Å; F207-I216 HydrophobicContact CE1-CD1 3.97Å; F207-I216 HydrophobicContact CE2-CD1 3.78Å; F207-I216 HydrophobicContact CZ-CD1 3.27Å |
| 208 | V | 91.1 | Very high | 91.4 | Very high | 65 Ų | 65 | 55.1 Ų | 55.1 | 39% | 0.394 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -72.7 | -39.4 | 174.4 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | M157 E190 D192 | M157-V208 WeakPolarHBondContact CE-O 3.47Å; E190-V208 HydrophobicContact CB-CB 4.29Å; E190-V208 HydrophobicContact CB-CG2 4.22Å; E190-V208 HydrophobicContact CG-CB 4.37Å; E190-V208 HydrophobicContact CG-CG2 3.82Å; E190-V208 PolarHBondContact O-N 3.29Å; D192-V208 HydrophobicContact CB-CG2 3.84Å |
| 209 | E | 87.9 | Confident | 91 | Very high | 114 Ų | 114 | 55.4 Ų | 55.4 | 53% | 0.533 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -97.6 | 136.2 | -176.8 | -67.6 | -175.7 | 176.7 | 0 | 0 | 112.9 | V212 | E209-V212 HydrophobicContact CB-CG2 3.94Š|
| 210 | T | 83.6 | Confident | 90.7 | Very high | 90 Ų | 90 | 53.8 Ų | 53.8 | 55% | 0.552 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 142.5 | 170.7 | 55.4 | 0 | 0 | 0 | 0 | 111 | M157 | M157-T210 HydrophobicContact CG-CG2 3.7Å; M157-T210 HydrophobicContact SD-CG2 3.8Å |
| 211 | G | 82.8 | Confident | 90.6 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -8.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K215 | G211-K215 WeakPolarHBondContact O-CG 3.39Å; G211-K215 PolarHBondContact O-N 3.33Å |
| 212 | V | 89.4 | Confident | 90.5 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 167.5 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | F207 E209 D214 K215 I216 | F207-V212 HydrophobicContact CB-CB 4.17Å; F207-V212 HydrophobicContact CB-CG1 4.42Å; F207-V212 HydrophobicContact CD1-CB 4.2Å; F207-V212 HydrophobicContact CD1-CG1 3.52Å; F207-V212 HydrophobicContact CD2-CB 4.3Å; F207-V212 HydrophobicContact CD2-CG1 4.09Å; F207-V212 HydrophobicContact CE1-CG1 3.71Å; F207-V212 HydrophobicContact CE2-CG1 4.27Å; F207-V212 HydrophobicContact CG-CB 3.96Å; F207-V212 HydrophobicContact CG-CG1 3.74Å; F207-V212 HydrophobicContact CZ-CG1 4.11Å; E209-V212 HydrophobicContact CB-CG2 3.94Å; V212-D214 VanDerWaalsContact C-N 3.33Å; V212-D214 PolarHBondContact O-N 3.4Å; V212-K215 WeakPolarHBondContact O-CB 3.43Å; V212-K215 PolarHBondContact O-N 2.93Å; V212-K215 VanDerWaalsContact O-N 3.16Å; V212-I216 HydrophobicContact CG1-CD1 3.97Å; V212-I216 PolarHBondContact O-N 3.45Å |
| 213 | A | 90.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -53.5 | -48.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K156 I159 F207 K215 I216 L217 | K156-A213 VanDerWaalsContact O-CB 3.3Å; K156-A213 WeakPolarHBondContact O-CB 3.5Å; I159-A213 HydrophobicContact CG2-CB 3.61Å; F207-A213 HydrophobicContact CD2-CB 4.4Å; A213-K215 VanDerWaalsContact C-N 3.31Å; A213-K215 PolarHBondContact O-N 2.58Å; A213-I216 PolarHBondContact O-N 3.22Å; A213-I216 VanDerWaalsContact O-N 3.11Å; A213-L217 HydrophobicContact CB-CD1 4.46Å; A213-L217 WeakPolarHBondContact O-CB 3.5Å; A213-L217 WeakPolarHBondContact O-CG 3.47Å; A213-L217 PolarHBondContact O-N 3.13Å |
| 214 | D | 88.3 | Confident | 90.1 | Very high | 71 Ų | 71 | 53.4 Ų | 53.4 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.3 | -38.3 | -180 | -65.1 | -38.5 | 0 | 0 | 0 | 113.2 | V212 I216 K218 | V212-D214 VanDerWaalsContact C-N 3.33Å; V212-D214 PolarHBondContact O-N 3.4Å; D214-I216 VanDerWaalsContact C-N 3.34Å; D214-K218 WeakPolarHBondContact O-CG 3.37Å; D214-K218 PolarHBondContact O-N 3.05Å |
| 215 | K | 89.3 | Confident | 89.8 | Confident | 119 Ų | 119 | 56.5 Ų | 56.5 | 52% | 0.517 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 177.7 | -70.4 | 168.9 | -171.5 | 167 | 0 | 111.5 | G211 V212 A213 | G211-K215 WeakPolarHBondContact O-CG 3.39Å; G211-K215 PolarHBondContact O-N 3.33Å; V212-K215 WeakPolarHBondContact O-CB 3.43Å; V212-K215 PolarHBondContact O-N 2.93Å; V212-K215 VanDerWaalsContact O-N 3.16Å; A213-K215 VanDerWaalsContact C-N 3.31Å; A213-K215 PolarHBondContact O-N 2.58Å |
| 216 | I | 91.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.7 | -47.4 | 179 | -66.9 | 165 | 0 | 0 | 0 | 110.2 | I159 F181 G187 F207 V212 A213 D214 K218 K219 Y222 V235 | I159-I216 HydrophobicContact CD1-CD1 4.09Å; I159-I216 HydrophobicContact CD1-CG2 3.82Å; F181-I216 HydrophobicContact CD1-CD1 4.04Å; F181-I216 HydrophobicContact CE1-CG2 4.36Å; G187-I216 WeakPolarHBondContact O-CG1 3.47Å; F207-I216 HydrophobicContact CE1-CD1 3.97Å; F207-I216 HydrophobicContact CE2-CD1 3.78Å; F207-I216 HydrophobicContact CZ-CD1 3.27Å; V212-I216 HydrophobicContact CG1-CD1 3.97Å; V212-I216 PolarHBondContact O-N 3.45Å; A213-I216 PolarHBondContact O-N 3.22Å; A213-I216 VanDerWaalsContact O-N 3.11Å; D214-I216 VanDerWaalsContact C-N 3.34Å; I216-K218 PolarHBondContact O-N 3.08Å; I216-K219 PolarHBondContact O-N 2.81Å; I216-Y222 HydrophobicContact CG1-CE2 4.4Å; I216-Y222 HydrophobicContact CG2-CD2 3.98Å; I216-V235 HydrophobicContact CG2-CB 4.11Å; I216-V235 HydrophobicContact CG2-CG1 3.97Å; I216-V235 HydrophobicContact CG2-CG2 3.86Å |
| 217 | L | 90.8 | Very high | 88.9 | Confident | 34 Ų | 34 | 62 Ų | 62 | 18% | 0.178 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.3 | -30 | -176.5 | -69.5 | 172.1 | 0 | 0 | 0 | 113.2 | I159 A213 K219 K220 S236 P237 | I159-L217 HydrophobicContact CG2-CD1 4.19Å; I159-L217 HydrophobicContact CG2-CD2 4.02Å; I159-L217 HydrophobicContact CG2-CG 3.97Å; A213-L217 HydrophobicContact CB-CD1 4.46Å; A213-L217 WeakPolarHBondContact O-CB 3.5Å; A213-L217 WeakPolarHBondContact O-CG 3.47Å; A213-L217 PolarHBondContact O-N 3.13Å; L217-K219 PolarHBondContact O-N 3.46Å; L217-K219 VanDerWaalsContact O-N 3.16Å; L217-K220 PolarHBondContact O-N 3.34Å; L217-S236 WeakPolarHBondContact CD2-O 3.42Å; L217-P237 HydrophobicContact CD1-CB 4.08Å; L217-P237 HydrophobicContact CD2-CB 4.48Å |
| 218 | K | 88.3 | Confident | 88.4 | Confident | 176 Ų | 176 | 71.3 Ų | 71.3 | 77% | 0.765 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.2 | 173.1 | -78.4 | 173.3 | -174.8 | -178.9 | 0 | 113.8 | D214 I216 | D214-K218 WeakPolarHBondContact O-CG 3.37Å; D214-K218 PolarHBondContact O-N 3.05Å; I216-K218 PolarHBondContact O-N 3.08Å |
| 219 | K | 84.4 | Confident | 88.2 | Confident | 112 Ų | 112 | 71.9 Ų | 71.9 | 49% | 0.487 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -17.3 | -176.7 | -63.5 | -177.5 | -179.7 | 176.5 | 0 | 113.4 | N186 I216 L217 E221 | N186-K219 PolarHBondContact O-NZ 3.02Å; I216-K219 PolarHBondContact O-N 2.81Å; L217-K219 PolarHBondContact O-N 3.46Å; L217-K219 VanDerWaalsContact O-N 3.16Å; K219-E221 PolarHBondContact O-N 2.82Å |
| 220 | K | 84.9 | Confident | 88.3 | Confident | 157 Ų | 157 | 69.4 Ų | 69.4 | 68% | 0.683 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 57.6 | -31.2 | -174.9 | -62.4 | -172.8 | 176.7 | -173.8 | 0 | 116.6 | L217 V235 | L217-K220 PolarHBondContact O-N 3.34Å; K220-V235 VanDerWaalsContact C-CG2 3.47Å; K220-V235 WeakPolarHBondContact O-CG2 3.35Å; K220-V235 PolarHBondContact O-N 2.79Å |
| 221 | E | 90.7 | Very high | 88.6 | Confident | 73 Ų | 73 | 67.5 Ų | 67.5 | 34% | 0.341 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 141.5 | 175 | -63.6 | -174.8 | -121.3 | 0 | 0 | 109.8 | K219 R232 V233 | K219-E221 PolarHBondContact O-N 2.82Å; E221-R232 VanDerWaalsContact CD-CZ 3.45Å; E221-R232 IonicContact OE1-CZ 2.72Å; E221-R232 IonicContact OE1-NH1 3.93Å; E221-R232 IonicContact OE1-NH2 3.61Å; E221-R232 PolarHBondContact OE1-NH2 2.71Å; E221-R232 IonicContact OE2-CZ 3.13Å; E221-R232 IonicContact OE2-NE 3.75Å; E221-R232 PolarHBondContact OE2-NE 2.67Å; E221-R232 IonicContact OE2-NH1 2.76Å; E221-R232 PolarHBondContact OE2-NH1 3.08Å; E221-R232 IonicContact OE2-NH2 2.71Å; E221-R232 PolarHBondContact OE2-NH2 2.87Å; E221-V233 CarbonylContact C-O 3.59Å; E221-V233 WeakPolarHBondContact CA-O 3.33Å |
| 222 | Y | 92.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.008 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131 | -177.3 | -169.3 | -81.2 | 0 | 0 | 0 | 110.7 | S180 F181 N186 I216 L224 V233 | S180-Y222 PolarHBondContact O-OH 3.08Å; F181-Y222 HydrophobicContact CD1-CD2 4.22Å; F181-Y222 HydrophobicContact CD1-CE1 4.26Å; F181-Y222 AromaticContact CD1-CE2 3.88Å; F181-Y222 HydrophobicContact CD1-CE2 3.88Å; F181-Y222 AromaticContact CD1-CZ 3.91Å; F181-Y222 HydrophobicContact CD2-CE1 4.5Å; F181-Y222 AromaticContact CE1-CD1 3.85Å; F181-Y222 HydrophobicContact CE1-CD1 3.85Å; F181-Y222 AromaticContact CE1-CD2 3.66Å; F181-Y222 HydrophobicContact CE1-CD2 3.66Å; F181-Y222 HydrophobicContact CE1-CE1 4.05Å; F181-Y222 AromaticContact CE1-CE2 3.81Å; F181-Y222 HydrophobicContact CE1-CE2 3.81Å; F181-Y222 AromaticContact CE1-CG 3.66Å; F181-Y222 HydrophobicContact CE1-CG 3.66Å; F181-Y222 HydrophobicContact CE2-CD1 4.2Å; F181-Y222 HydrophobicContact CE2-CE1 4.3Å; F181-Y222 HydrophobicContact CG-CE1 4.5Å; F181-Y222 AromaticContact CZ-CD1 3.68Å; F181-Y222 HydrophobicContact CZ-CD1 3.68Å; F181-Y222 HydrophobicContact CZ-CD2 4.28Å; F181-Y222 HydrophobicContact CZ-CE1 4.08Å; F181-Y222 AromaticContact CZ-CG 3.8Å; F181-Y222 HydrophobicContact CZ-CG 3.8Å; N186-Y222 HydrophobicContact CB-CE1 4.47Å; N186-Y222 HydrophobicContact CB-CE2 3.7Å; N186-Y222 WeakPolarHBondContact CB-OH 3.32Å; N186-Y222 PolarHBondContact ND2-OH 3.41Å; I216-Y222 HydrophobicContact CG1-CE2 4.4Å; I216-Y222 HydrophobicContact CG2-CD2 3.98Å; Y222-L224 PolarHBondContact O-N 2.82Å; Y222-V233 HydrophobicContact CD1-CG2 4.46Å; Y222-V233 PolarHBondContact N-O 2.89Å; Y222-V233 WeakPolarHBondContact O-CG2 3.49Å; Y222-V233 PolarHBondContact O-N 2.76Å |
| 223 | P | 91.8 | Very high | 89.3 | Confident | 34 Ų | 34 | 74.3 Ų | 74.3 | 22% | 0.221 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 109.4 | 178 | 30.9 | -32.9 | 0 | 0 | 0 | 111.1 | Y225 | P223-Y225 HydrophobicContact CB-CE2 3.86Å; P223-Y225 HydrophobicContact CG-CE2 4.36Å |
| 224 | L | 92.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 109.9 | 174.5 | -177.7 | 63.4 | 0 | 0 | 0 | 110.1 | I164 L177 Y222 I226 H231 V233 | I164-L224 HydrophobicContact CG2-CD2 4.42Å; L177-L224 HydrophobicContact CD2-CD1 4.18Å; L177-L224 HydrophobicContact CD2-CD2 3.95Å; Y222-L224 PolarHBondContact O-N 2.82Å; L224-I226 HydrophobicContact CD2-CD1 3.99Å; L224-I226 HydrophobicContact CD2-CG1 4.29Å; L224-I226 HydrophobicContact CG-CD1 4.27Å; L224-I226 HydrophobicContact CG-CG1 4.02Å; L224-H231 PolarHBondContact N-O 2.89Å; L224-H231 PolarHBondContact O-N 2.88Å; L224-V233 HydrophobicContact CB-CG1 4Å; L224-V233 HydrophobicContact CB-CG2 4.24Å; L224-V233 HydrophobicContact CD2-CG1 3.85Å |
| 225 | Y | 89.9 | Confident | 89.9 | Confident | 96 Ų | 96 | 73.4 Ų | 73.4 | 38% | 0.376 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 107.1 | -179.3 | -68 | -88.4 | 0 | 0 | 0 | 110.8 | K176 P223 T229 C230 | K176-Y225 WeakPolarHBondContact CE-O 3.31Å; K176-Y225 PolarHBondContact NZ-O 2.84Å; P223-Y225 HydrophobicContact CB-CE2 3.86Å; P223-Y225 HydrophobicContact CG-CE2 4.36Å; Y225-T229 CarbonylContact C-O 3.58Å; Y225-T229 WeakPolarHBondContact CA-O 3.42Å; Y225-C230 HydrophobicContact CD1-CB 3.78Å; Y225-C230 HydrophobicContact CE1-CB 3.61Å; Y225-C230 VanDerWaalsContact CE1-SG 3.55Å |
| 226 | I | 88.4 | Confident | 90.2 | Very high | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.4 | 176 | -55.3 | -179.6 | 0 | 0 | 0 | 108.2 | P165 T167 L168 M173 K176 L224 E228 T229 | P165-I226 HydrophobicContact CG-CD1 3.5Å; T167-I226 WeakPolarHBondContact OG1-CD1 3.33Å; L168-I226 HydrophobicContact CD1-CG2 3.79Å; L168-I226 HydrophobicContact CD2-CG2 4.38Å; L168-I226 HydrophobicContact CG-CG2 4Å; M173-I226 HydrophobicContact CE-CD1 3.71Å; M173-I226 HydrophobicContact SD-CD1 4.06Å; K176-I226 HydrophobicContact CG-CG1 4.39Å; L224-I226 HydrophobicContact CD2-CD1 3.99Å; L224-I226 HydrophobicContact CD2-CG1 4.29Å; L224-I226 HydrophobicContact CG-CD1 4.27Å; L224-I226 HydrophobicContact CG-CG1 4.02Å; I226-E228 PolarHBondContact O-N 2.74Å; I226-E228 VanDerWaalsContact O-N 3.16Å; I226-T229 PolarHBondContact N-O 2.71Å; I226-T229 PolarHBondContact O-N 3.48Å |
| 227 | N | 84.3 | Confident | 90.2 | Very high | 132 Ų | 132 | 72.6 Ų | 72.6 | 71% | 0.706 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | -119.1 | -169.7 | -56 | -30.2 | 0 | 0 | 0 | 110.5 | ||
| 228 | E | 83.9 | Confident | 90.3 | Very high | 197 Ų | 197 | 73.5 Ų | 73.5 | 92% | 0.921 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -0.8 | 178 | -60.2 | -177.2 | 167.5 | 0 | 0 | 113.2 | I226 | I226-E228 PolarHBondContact O-N 2.74Å; I226-E228 VanDerWaalsContact O-N 3.16Å |
| 229 | T | 88.1 | Confident | 90.2 | Very high | 77 Ų | 77 | 67.7 Ų | 67.7 | 47% | 0.472 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 137.4 | -175.6 | -51.6 | 0 | 0 | 0 | 0 | 111.1 | Y225 I226 H231 | Y225-T229 CarbonylContact C-O 3.58Å; Y225-T229 WeakPolarHBondContact CA-O 3.42Å; I226-T229 PolarHBondContact N-O 2.71Å; I226-T229 PolarHBondContact O-N 3.48Å; T229-H231 WeakPolarHBondContact CG2-NE2 3Å |
| 230 | C | 89.1 | Confident | 90.3 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 42% | 0.419 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 118.2 | 173.1 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | Y225 | Y225-C230 HydrophobicContact CD1-CB 3.78Å; Y225-C230 HydrophobicContact CE1-CB 3.61Å; Y225-C230 VanDerWaalsContact CE1-SG 3.55Å |
| 231 | H | 90.9 | Very high | 90.2 | Very high | 49 Ų | 49 | 63.5 Ų | 63.5 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 137.6 | 173.3 | -59.1 | -88 | 0 | 0 | 0 | 109 | P165 L224 T229 | P165-H231 HydrophobicContact CG-CB 4.09Å; L224-H231 PolarHBondContact N-O 2.89Å; L224-H231 PolarHBondContact O-N 2.88Å; T229-H231 WeakPolarHBondContact CG2-NE2 3Å |
| 232 | R | 92.5 | Very high | 89.8 | Confident | 166 Ų | 166 | 63.2 Ų | 63.2 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 113.7 | 172.4 | -62.2 | -178.6 | 74.4 | -167.2 | -1.4 | 106.8 | E221 | E221-R232 VanDerWaalsContact CD-CZ 3.45Å; E221-R232 IonicContact OE1-CZ 2.72Å; E221-R232 IonicContact OE1-NH1 3.93Å; E221-R232 IonicContact OE1-NH2 3.61Å; E221-R232 PolarHBondContact OE1-NH2 2.71Å; E221-R232 IonicContact OE2-CZ 3.13Å; E221-R232 IonicContact OE2-NE 3.75Å; E221-R232 PolarHBondContact OE2-NE 2.67Å; E221-R232 IonicContact OE2-NH1 2.76Å; E221-R232 PolarHBondContact OE2-NH1 3.08Å; E221-R232 IonicContact OE2-NH2 2.71Å; E221-R232 PolarHBondContact OE2-NH2 2.87Å |
| 233 | V | 94.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 146.3 | 176.1 | -61.1 | 0 | 0 | 0 | 0 | 109.2 | V161 T162 I164 F181 E221 Y222 L224 | V161-V233 HydrophobicContact CG1-CB 3.83Å; V161-V233 HydrophobicContact CG1-CG2 3.52Å; T162-V233 WeakPolarHBondContact O-CB 3.31Å; I164-V233 HydrophobicContact CG1-CG1 4.38Å; F181-V233 HydrophobicContact CZ-CG2 4.45Å; E221-V233 CarbonylContact C-O 3.59Å; E221-V233 WeakPolarHBondContact CA-O 3.33Å; Y222-V233 HydrophobicContact CD1-CG2 4.46Å; Y222-V233 PolarHBondContact N-O 2.89Å; Y222-V233 WeakPolarHBondContact O-CG2 3.49Å; Y222-V233 PolarHBondContact O-N 2.76Å; L224-V233 HydrophobicContact CB-CG1 4Å; L224-V233 HydrophobicContact CB-CG2 4.24Å; L224-V233 HydrophobicContact CD2-CG1 3.85Å |
| 234 | T | 95.7 | Very high | 88.7 | Confident | 43 Ų | 43 | 73.6 Ų | 73.6 | 26% | 0.264 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 134.2 | -179.8 | -69.9 | 0 | 0 | 0 | 0 | 109.7 | V161 T162 E163 | V161-T234 CarbonylContact C-O 3.43Å; V161-T234 VanDerWaalsContact CA-O 3.31Å; V161-T234 WeakPolarHBondContact CA-O 3.36Å; T162-T234 PolarHBondContact N-O 2.84Å; T162-T234 PolarHBondContact O-N 2.83Å; T162-T234 VanDerWaalsContact O-N 3.08Å; T162-T234 WeakPolarHBondContact OG1-CB 3.17Å; E163-T234 WeakPolarHBondContact OE2-CB 3.43Å; E163-T234 PolarHBondContact OE2-OG1 3.49Å |
| 235 | V | 95.3 | Very high | 88.2 | Confident | 9 Ų | 9 | 80 Ų | 80 | 6% | 0.055 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 133 | 177.4 | -63.5 | 0 | 0 | 0 | 0 | 110.4 | I159 N160 V161 F181 I216 K220 | I159-V235 HydrophobicContact CD1-CG1 4.42Å; N160-V235 CarbonylContact O-C 3.26Å; N160-V235 WeakPolarHBondContact O-CA 3.31Å; V161-V235 HydrophobicContact CG1-CG1 4.43Å; V161-V235 HydrophobicContact CG2-CG1 4.19Å; F181-V235 HydrophobicContact CE1-CG1 4.27Å; F181-V235 HydrophobicContact CZ-CG1 4.32Å; I216-V235 HydrophobicContact CG2-CB 4.11Å; I216-V235 HydrophobicContact CG2-CG1 3.97Å; I216-V235 HydrophobicContact CG2-CG2 3.86Å; K220-V235 VanDerWaalsContact C-CG2 3.47Å; K220-V235 WeakPolarHBondContact O-CG2 3.35Å; K220-V235 PolarHBondContact O-N 2.79Å |
| 236 | S | 94.4 | Very high | 87.7 | Confident | 42 Ų | 42 | 81 Ų | 81 | 29% | 0.294 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 155.2 | 180 | 66.6 | 0 | 0 | 0 | 0 | 111.1 | N160 L217 Y238 | N160-S236 WeakPolarHBondContact CB-OG 3.42Å; N160-S236 PolarHBondContact N-O 2.79Å; N160-S236 PolarHBondContact O-N 3.49Å; L217-S236 WeakPolarHBondContact CD2-O 3.42Å; S236-Y238 PolarHBondContact O-N 2.78Å |
| 237 | P | 91.9 | Very high | 87 | Confident | 59 Ų | 59 | 85 Ų | 85 | 38% | 0.383 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 137.4 | -179.2 | 23.6 | -32.2 | 0 | 0 | 0 | 110.8 | V154 L217 T239 | V154-P237 HydrophobicContact CG1-CB 3.79Å; L217-P237 HydrophobicContact CD1-CB 4.08Å; L217-P237 HydrophobicContact CD2-CB 4.48Å; P237-T239 PolarHBondContact O-N 2.81Å; P237-T239 PolarHBondContact O-OG1 2.85Å |
| 238 | Y | 91.8 | Very high | 86.4 | Confident | 53 Ų | 53 | 82.8 Ų | 82.8 | 21% | 0.208 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 118.6 | 169.9 | -179 | -89.7 | 0 | 0 | 0 | 108.9 | S155 K158 N160 V204 S236 E240 | S155-Y238 PolarHBondContact N-O 3.18Å; K158-Y238 HydrophobicContact CB-CD1 3.85Å; K158-Y238 HydrophobicContact CB-CD2 4.39Å; K158-Y238 HydrophobicContact CB-CG 3.67Å; K158-Y238 HydrophobicContact CD-CD1 3.84Å; K158-Y238 HydrophobicContact CD-CE1 3.87Å; K158-Y238 HydrophobicContact CD-CG 4.23Å; K158-Y238 HydrophobicContact CG-CD1 4.48Å; K158-Y238 WeakPolarHBondContact O-CB 3.36Å; N160-Y238 WeakPolarHBondContact OD1-CD2 3.44Å; V204-Y238 HydrophobicContact CG1-CD2 3.58Å; V204-Y238 HydrophobicContact CG1-CE2 3.8Å; V204-Y238 HydrophobicContact CG1-CG 4.41Å; V204-Y238 HydrophobicContact CG2-CD2 4.18Å; V204-Y238 HydrophobicContact CG2-CE2 4.09Å; S236-Y238 PolarHBondContact O-N 2.78Å; Y238-E240 HydrophobicContact CD1-CG 4.35Å; Y238-E240 HydrophobicContact CE1-CG 3.48Å; Y238-E240 VanDerWaalsContact CE1-CG 3.48Å; Y238-E240 VanDerWaalsContact CE1-OE1 3.31Å; Y238-E240 WeakPolarHBondContact CE1-OE1 3.38Å; Y238-E240 PolarHBondContact OH-OE1 3.15Å |
| 239 | T | 88.1 | Confident | 85.9 | Confident | 54 Ų | 54 | 75.1 Ų | 75.1 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 126.2 | -173.9 | -53.1 | 0 | 0 | 0 | 0 | 109.4 | I152 E153 V154 P237 I241 | I152-T239 HydrophobicContact CG2-CG2 3.23Å; E153-T239 CarbonylContact O-C 3.59Å; E153-T239 WeakPolarHBondContact O-CA 3.35Å; V154-T239 HydrophobicContact CG2-CG2 4.11Å; P237-T239 PolarHBondContact O-N 2.81Å; P237-T239 PolarHBondContact O-OG1 2.85Å; T239-I241 HydrophobicContact CG2-CG1 4.3Å |
| 240 | E | 85.3 | Confident | 85 | Confident | 66 Ų | 66 | 75.7 Ų | 75.7 | 31% | 0.308 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133.4 | 170.1 | -61.8 | -171.3 | -176.4 | 0 | 0 | 109.7 | I152 E153 Y238 H242 | I152-E240 WeakPolarHBondContact CA-O 3.31Å; E153-E240 PolarHBondContact N-O 2.9Å; E153-E240 PolarHBondContact O-N 2.85Å; Y238-E240 HydrophobicContact CD1-CG 4.35Å; Y238-E240 HydrophobicContact CE1-CG 3.48Å; Y238-E240 VanDerWaalsContact CE1-CG 3.48Å; Y238-E240 VanDerWaalsContact CE1-OE1 3.31Å; Y238-E240 WeakPolarHBondContact CE1-OE1 3.38Å; Y238-E240 PolarHBondContact OH-OE1 3.15Å; E240-H242 IonicContact OE2-CE1 2.72Å; E240-H242 IonicContact OE2-NE2 3.15Å; E240-H242 PolarHBondContact OE2-NE2 2.76Å; E240-H242 VanDerWaalsContact OE2-NE2 3.15Å |
| 241 | I | 83.1 | Confident | 84.5 | Confident | 115 Ų | 115 | 74.6 Ų | 74.6 | 59% | 0.59 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121 | 179.4 | -56.7 | 174.9 | 0 | 0 | 0 | 107.6 | V150 I152 T239 | V150-I241 HydrophobicContact CG1-CG2 3.79Å; I152-I241 HydrophobicContact CG1-CG1 4.47Å; T239-I241 HydrophobicContact CG2-CG1 4.3Å |
| 242 | H | 81.8 | Confident | 84.1 | Confident | 68 Ų | 68 | 76.4 Ų | 76.4 | 32% | 0.315 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.9 | -178.9 | -63.3 | -79.6 | 0 | 0 | 0 | 109.5 | Y151 E240 | Y151-H242 PolarHBondContact N-O 2.96Å; Y151-H242 PolarHBondContact O-N 2.81Å; E240-H242 IonicContact OE2-CE1 2.72Å; E240-H242 IonicContact OE2-NE2 3.15Å; E240-H242 PolarHBondContact OE2-NE2 2.76Å; E240-H242 VanDerWaalsContact OE2-NE2 3.15Å |
| 243 | L | 80.7 | Confident | 83.7 | Confident | 124 Ų | 124 | 69 Ų | 69 | 65% | 0.649 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 124.1 | 168.4 | -74.6 | 167.4 | 0 | 0 | 0 | 109.3 | F148 V150 | F148-L243 HydrophobicContact CD2-CD2 3.28Å; F148-L243 HydrophobicContact CE2-CD2 3.62Å; F148-L243 HydrophobicContact CG-CD2 4.09Å; V150-L243 HydrophobicContact CG2-CD2 3.97Å |
| 244 | R | 80.4 | Confident | 83.3 | Confident | 129 Ų | 129 | 74.1 Ų | 74.1 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 163.2 | -179.9 | -62.7 | -172.2 | 179.1 | -171.5 | 3.1 | 110.6 | Q149 Y246 | Q149-R244 PolarHBondContact N-O 3Å; Q149-R244 PolarHBondContact O-N 2.85Å; R244-Y246 PolarHBondContact O-N 3.48Å; R244-Y246 VanDerWaalsContact O-N 3.11Å |
| 245 | K | 81.4 | Confident | 83 | Confident | 135 Ų | 135 | 74.7 Ų | 74.7 | 59% | 0.587 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.5 | 41.6 | 173.9 | -54.9 | -168.9 | -167 | 151.3 | 0 | 113.6 | Q149 Q247 | Q149-K245 HydrophobicContact CG-CB 4.3Å; Q149-K245 HydrophobicContact CG-CD 4.39Å; Q149-K245 VanDerWaalsContact OE1-CD 3.26Å; Q149-K245 VanDerWaalsContact OE1-CE 3.26Å; K245-Q247 PolarHBondContact O-N 3.34Å |
| 246 | Y | 80.2 | Confident | 82.8 | Confident | 118 Ų | 118 | 74.4 Ų | 74.4 | 46% | 0.463 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 126.3 | 173.1 | 179.7 | -93.6 | 0 | 0 | 0 | 109.8 | I60 V146 R147 F148 R244 I248 | I60-Y246 VanDerWaalsContact CD1-OH 3.31Å; I60-Y246 WeakPolarHBondContact CD1-OH 3.5Å; V146-Y246 HydrophobicContact CB-CE2 3.98Å; V146-Y246 HydrophobicContact CG1-CE2 3.85Å; V146-Y246 VanDerWaalsContact CG1-OH 3.27Å; V146-Y246 WeakPolarHBondContact CG1-OH 3.36Å; R147-Y246 CarbonylContact O-C 3.58Å; R147-Y246 WeakPolarHBondContact O-CA 3.46Å; F148-Y246 HydrophobicContact CB-CD2 4.2Å; F148-Y246 HydrophobicContact CD1-CD2 4.45Å; R244-Y246 PolarHBondContact O-N 3.48Å; R244-Y246 VanDerWaalsContact O-N 3.11Å; Y246-I248 HydrophobicContact CE1-CD1 3.91Å; Y246-I248 HydrophobicContact CE1-CG1 3.56Å |
| 247 | Q | 74.1 | Confident | 82.7 | Confident | 88 Ų | 88 | 72.4 Ų | 72.4 | 41% | 0.411 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 129 | -177 | -70.1 | 176.5 | -9.3 | 0 | 0 | 108.1 | V146 R147 K245 | V146-Q247 WeakPolarHBondContact CA-O 3.23Å; R147-Q247 PolarHBondContact N-O 3.25Å; R147-Q247 PolarHBondContact O-N 2.87Å; K245-Q247 PolarHBondContact O-N 3.34Å |
| 248 | I | 72.1 | Confident | 82.7 | Confident | 84 Ų | 84 | 70 Ų | 70 | 43% | 0.431 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 130.9 | 167.4 | -58.8 | 172.2 | 0 | 0 | 0 | 106.2 | G145 V146 Y246 | G145-I248 WeakPolarHBondContact O-CA 3.46Å; V146-I248 HydrophobicContact CG1-CG1 4.45Å; Y246-I248 HydrophobicContact CE1-CD1 3.91Å; Y246-I248 HydrophobicContact CE1-CG1 3.56Å |
| 249 | F | 71.6 | Confident | 82.7 | Confident | 37 Ų | 37 | 67.5 Ų | 67.5 | 16% | 0.162 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135 | 174.2 | 62 | -95.2 | 0 | 0 | 0 | 109.9 | V96 L142 S144 G145 R147 E307 | V96-F249 HydrophobicContact CG2-CE2 3.76Å; V96-F249 HydrophobicContact CG2-CZ 3.95Å; L142-F249 HydrophobicContact CD1-CD2 3.77Å; L142-F249 HydrophobicContact CD1-CE2 4.07Å; S144-F249 CarbonylContact C-O 3.58Å; S144-F249 WeakPolarHBondContact CA-O 2.97Å; G145-F249 VanDerWaalsContact C-CE1 3.41Å; G145-F249 PolarHBondContact N-O 2.89Å; G145-F249 WeakPolarHBondContact O-CD1 3.26Å; G145-F249 PolarHBondContact O-N 2.89Å; R147-F249 HydrophobicContact CB-CD1 4.18Å; R147-F249 HydrophobicContact CB-CE1 4.15Å; F249-E307 HydrophobicContact CE2-CB 4.37Å; F249-E307 HydrophobicContact CZ-CB 4.4Å |
| 250 | S | 70.3 | Confident | 82.9 | Confident | 88 Ų | 88 | 66 Ų | 66 | 62% | 0.615 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 145 | 175.9 | 59.9 | 0 | 0 | 0 | 0 | 107.8 | ||
| 251 | G | 77.6 | Confident | 83 | Confident | 40 Ų | 40 | 64.6 Ų | 64.6 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 142 | -131.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P141 L142 | P141-G251 CarbonylContact C-O 3.59Å; P141-G251 WeakPolarHBondContact CA-O 3.36Å; L142-G251 PolarHBondContact N-O 2.76Å |
| 252 | T | 83.3 | Confident | 83.1 | Confident | 86 Ų | 86 | 59.2 Ų | 59.2 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 140 | 176.9 | 52.7 | 0 | 0 | 0 | 0 | 110.2 | P139 V140 K254 | P139-T252 HydrophobicContact CB-CG2 4.12Å; V140-T252 CarbonylContact O-C 3.48Å; V140-T252 VanDerWaalsContact O-CA 3.29Å; V140-T252 WeakPolarHBondContact O-CA 3.48Å; T252-K254 PolarHBondContact O-N 2.81Å |
| 253 | S | 84.6 | Confident | 83.1 | Confident | 10 Ų | 10 | 63 Ų | 63 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 136.4 | 175.9 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | V140 R255 T256 E307 | V140-S253 PolarHBondContact O-N 2.89Å; S253-R255 PolarHBondContact OG-N 2.94Å; S253-T256 WeakPolarHBondContact OG-CB 3.33Å; S253-T256 PolarHBondContact OG-N 3.21Å; S253-T256 PolarHBondContact OG-OG1 3.34Å; S253-E307 VanDerWaalsContact CA-OE2 3.25Å; S253-E307 WeakPolarHBondContact CA-OE2 3.46Å; S253-E307 VanDerWaalsContact CB-OE2 3.31Å; S253-E307 WeakPolarHBondContact CB-OE2 3.22Å; S253-E307 PolarHBondContact OG-OE2 3.03Å |
| 254 | K | 86.6 | Confident | 82.9 | Confident | 109 Ų | 109 | 60.6 Ų | 60.6 | 47% | 0.474 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -22.1 | 178.2 | -55 | -172.7 | 176.3 | -168.9 | 0 | 112.2 | E112 A115 T252 E307 | E112-K254 WeakPolarHBondContact CA-O 3.02Å; E112-K254 HydrophobicContact CB-CB 4.14Å; E112-K254 HydrophobicContact CG-CB 4.26Å; E112-K254 VanDerWaalsContact OE2-CD 3.31Å; E112-K254 WeakPolarHBondContact OE2-CD 3.36Å; E112-K254 IonicContact OE2-NZ 2.66Å; A115-K254 VanDerWaalsContact CB-O 3.3Å; A115-K254 WeakPolarHBondContact CB-O 3.35Å; T252-K254 PolarHBondContact O-N 2.81Å; K254-E307 VanDerWaalsContact CB-OE1 3.23Å; K254-E307 WeakPolarHBondContact CB-OE1 3.46Å; K254-E307 PolarHBondContact N-OE1 3.13Å; K254-E307 PolarHBondContact N-OE2 3.29Å |
| 255 | R | 89 | Confident | 82.9 | Confident | 55 Ų | 55 | 55.9 Ų | 55.9 | 21% | 0.208 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | -16.8 | -175.8 | -66.3 | -178.2 | 62.6 | -157.7 | -10.1 | 113.9 | T108 F109 E110 E112 S253 D291 | T108-R255 WeakPolarHBondContact CA-O 3.18Å; T108-R255 HydrophobicContact CG2-CB 4.36Å; F109-R255 PolarHBondContact N-O 3.29Å; F109-R255 VanDerWaalsContact O-CZ 3.28Å; F109-R255 PolarHBondContact O-NE 2.74Å; F109-R255 PolarHBondContact O-NH2 3.16Å; E110-R255 VanDerWaalsContact CA-NH2 3.32Å; E110-R255 PolarHBondContact O-NE 3.24Å; E110-R255 PolarHBondContact O-NH2 2.98Å; E112-R255 HydrophobicContact CB-CG 4.18Å; S253-R255 PolarHBondContact OG-N 2.94Å; R255-D291 IonicContact NH2-OD2 2.71Å |
| 256 | T | 90 | Very high | 82.7 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 136.1 | -176.1 | -45.7 | 0 | 0 | 0 | 0 | 111.8 | L106 I107 T108 V140 S253 F305 | L106-T256 HydrophobicContact CB-CG2 4.23Å; L106-T256 HydrophobicContact CD2-CG2 3.79Å; I107-T256 CarbonylContact O-C 3.59Å; I107-T256 WeakPolarHBondContact O-CA 3.41Å; T108-T256 PolarHBondContact OG1-OG1 3.24Å; V140-T256 HydrophobicContact CG2-CG2 4.08Å; V140-T256 WeakPolarHBondContact CG2-O 3.36Å; S253-T256 WeakPolarHBondContact OG-CB 3.33Å; S253-T256 PolarHBondContact OG-N 3.21Å; S253-T256 PolarHBondContact OG-OG1 3.34Å; T256-F305 HydrophobicContact CG2-CB 4.19Å; T256-F305 HydrophobicContact CG2-CD2 4.16Å; T256-F305 HydrophobicContact CG2-CG 4.16Å; T256-F305 VanDerWaalsContact OG1-CD2 3.29Å; T256-F305 WeakPolarHBondContact OG1-CD2 3.18Å |
| 257 | V | 92.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 135.7 | -179.7 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | L106 I107 F109 A115 V118 V119 A137 L259 | L106-V257 WeakPolarHBondContact CA-O 3.13Å; I107-V257 HydrophobicContact CG2-CB 3.85Å; I107-V257 PolarHBondContact N-O 3.5Å; I107-V257 PolarHBondContact O-N 2.86Å; F109-V257 HydrophobicContact CD2-CG2 4.32Å; F109-V257 HydrophobicContact CE2-CB 4.44Å; F109-V257 HydrophobicContact CE2-CG2 3.92Å; A115-V257 HydrophobicContact CB-CG2 3.77Å; V118-V257 HydrophobicContact CG1-CG1 4.13Å; V118-V257 HydrophobicContact CG1-CG2 4.48Å; V119-V257 HydrophobicContact CG2-CB 4.31Å; V119-V257 HydrophobicContact CG2-CG1 3.75Å; V119-V257 HydrophobicContact CG2-CG2 3.73Å; A137-V257 HydrophobicContact CB-CG1 3.75Å; V257-L259 HydrophobicContact CG1-CD2 4.36Å |
| 258 | L | 92.6 | Very high | 83.3 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 123.4 | 171.7 | -178.1 | 68.5 | 0 | 0 | 0 | 109.4 | Y98 L100 Q104 L106 A137 K138 V140 T260 | Y98-L258 HydrophobicContact CE1-CD1 3.96Å; Y98-L258 WeakPolarHBondContact OH-CD2 3.38Å; L100-L258 HydrophobicContact CD2-CD1 4.28Å; Q104-L258 HydrophobicContact CB-CD1 4.17Å; L106-L258 HydrophobicContact CD2-CB 4.46Å; L106-L258 HydrophobicContact CD2-CD1 4.15Å; A137-L258 CarbonylContact C-O 3.44Å; A137-L258 WeakPolarHBondContact CA-O 2.65Å; K138-L258 HydrophobicContact CB-CB 4.38Å; K138-L258 PolarHBondContact N-O 3.16Å; K138-L258 PolarHBondContact O-N 3.31Å; V140-L258 HydrophobicContact CG2-CB 3.89Å; L258-T260 HydrophobicContact CD2-CG2 3.81Å; L258-T260 HydrophobicContact CG-CG2 3.84Å |
| 259 | L | 92.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.1 | 171.8 | -62.4 | -179.9 | 0 | 0 | 0 | 108.8 | Q104 A105 I107 V135 T136 A137 V257 M262 I276 F280 | Q104-L259 CarbonylContact C-O 3.55Å; Q104-L259 VanDerWaalsContact CA-O 3.28Å; Q104-L259 WeakPolarHBondContact CA-O 3.29Å; A105-L259 HydrophobicContact CB-CB 4.22Å; A105-L259 PolarHBondContact N-O 2.69Å; A105-L259 WeakPolarHBondContact O-CB 3.31Å; A105-L259 PolarHBondContact O-N 3.17Å; I107-L259 HydrophobicContact CB-CD1 4.4Å; I107-L259 HydrophobicContact CG2-CD1 3.88Å; I107-L259 HydrophobicContact CG2-CD2 4.45Å; I107-L259 HydrophobicContact CG2-CG 4Å; V135-L259 HydrophobicContact CG1-CB 3.61Å; V135-L259 HydrophobicContact CG1-CD1 4.47Å; V135-L259 HydrophobicContact CG1-CD2 3.9Å; V135-L259 HydrophobicContact CG1-CG 4.18Å; T136-L259 WeakPolarHBondContact O-CA 3.42Å; A137-L259 HydrophobicContact CB-CD2 4.05Å; V257-L259 HydrophobicContact CG1-CD2 4.36Å; L259-M262 HydrophobicContact CB-CE 3.79Å; L259-M262 HydrophobicContact CB-SD 4.33Å; L259-M262 WeakPolarHBondContact O-CE 3.27Å; L259-I276 HydrophobicContact CD1-CG2 3.6Å; L259-F280 HydrophobicContact CD1-CD2 4.17Å; L259-F280 HydrophobicContact CD1-CE2 3.51Å; L259-F280 HydrophobicContact CD1-CZ 4.12Å; L259-F280 HydrophobicContact CD2-CE2 4.02Å; L259-F280 HydrophobicContact CD2-CZ 3.74Å; L259-F280 HydrophobicContact CG-CE2 4.43Å |
| 260 | T | 91.6 | Very high | 84.9 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 13% | 0.129 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 156.8 | 179.9 | 58.7 | 0 | 0 | 0 | 0 | 110.9 | Q104 V135 T136 L258 | Q104-T260 HydrophobicContact CG-CG2 4.2Å; V135-T260 CarbonylContact C-O 3.59Å; V135-T260 WeakPolarHBondContact CA-O 3.5Å; V135-T260 WeakPolarHBondContact CG1-O 3.41Å; T136-T260 PolarHBondContact N-O 2.91Å; T136-T260 PolarHBondContact O-N 3.07Å; T136-T260 PolarHBondContact O-OG1 3.36Å; L258-T260 HydrophobicContact CD2-CG2 3.81Å; L258-T260 HydrophobicContact CG-CG2 3.84Å |
| 261 | G | 86.9 | Confident | 85.8 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 38% | 0.381 | 32% | 0.319 | S | S | . | . | trans | 96.2 | 21.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L133 E263 | L133-G261 WeakPolarHBondContact CD1-O 3.5Å; G261-E263 VanDerWaalsContact C-N 3.31Å | ||
| 262 | M | 84.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | trans | -97.5 | 30.3 | 178.2 | -63.5 | 168.6 | -62.7 | 0 | 0 | 112.7 | G103 A105 L133 V135 L259 I265 I276 L297 | G103-M262 WeakPolarHBondContact O-CB 3.41Å; G103-M262 PolarHBondContact O-N 3.23Å; A105-M262 HydrophobicContact CB-CE 3.31Å; A105-M262 HydrophobicContact CB-SD 3.98Å; L133-M262 HydrophobicContact CD2-CB 4.23Å; L133-M262 HydrophobicContact CD2-CG 3.81Å; V135-M262 HydrophobicContact CG1-CG 4.38Å; V135-M262 HydrophobicContact CG1-SD 4.33Å; V135-M262 HydrophobicContact CG2-CG 3.88Å; V135-M262 HydrophobicContact CG2-SD 4.42Å; L259-M262 HydrophobicContact CB-CE 3.79Å; L259-M262 HydrophobicContact CB-SD 4.33Å; L259-M262 WeakPolarHBondContact O-CE 3.27Å; M262-I265 HydrophobicContact CB-CD1 3.76Å; M262-I265 HydrophobicContact CG-CD1 4.33Å; M262-I276 HydrophobicContact SD-CD1 3.54Å; M262-I276 VanDerWaalsContact SD-CD1 3.54Å; M262-I276 HydrophobicContact SD-CG1 4.49Å; M262-L297 HydrophobicContact CB-CD2 4.41Å | ||
| 263 | E | 82.1 | Confident | 86.7 | Confident | 147 Ų | 147 | 51.8 Ų | 51.8 | 69% | 0.687 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 144.3 | 177.5 | -65.4 | 175.4 | -162.5 | 0 | 0 | 111.4 | G261 | G261-E263 VanDerWaalsContact C-N 3.31Š|
| 264 | G | 76 | Confident | 87 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 76% | 0.763 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | 12 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q266 | G264-Q266 PolarHBondContact O-N 3.35Š|
| 265 | I | 81.1 | Confident | 87.2 | Confident | 30 Ų | 30 | 53.2 Ų | 53.2 | 15% | 0.154 | 29% | 0.291 | C | S | . | . | trans | -73.7 | 123.6 | 172.3 | -56.3 | 173.5 | 0 | 0 | 0 | 109.4 | I128 L133 M262 M267 V272 L297 | I128-I265 HydrophobicContact CD1-CD1 3.71Å; L133-I265 HydrophobicContact CD2-CD1 3.64Å; L133-I265 HydrophobicContact CD2-CG1 4.16Å; M262-I265 HydrophobicContact CB-CD1 3.76Å; M262-I265 HydrophobicContact CG-CD1 4.33Å; I265-M267 HydrophobicContact CG2-CB 3.84Å; I265-M267 HydrophobicContact CG2-CG 4.1Å; I265-M267 PolarHBondContact O-N 2.77Å; I265-V272 HydrophobicContact CD1-CG1 4.15Å; I265-V272 HydrophobicContact CD1-CG2 4.44Å; I265-V272 HydrophobicContact CG2-CG2 3.75Å; I265-L297 HydrophobicContact CB-CD2 4.4Å; I265-L297 HydrophobicContact CD1-CD2 4.02Å; I265-L297 HydrophobicContact CG2-CD1 4.45Å | ||
| 266 | Q | 77.3 | Confident | 87.3 | Confident | 190 Ų | 190 | 50.6 Ų | 50.6 | 89% | 0.888 | 28% | 0.281 | S | S | * | . | trans | -98.4 | 64.3 | 173.7 | -63.1 | -175.4 | 19.8 | 0 | 0 | 110.3 | G264 | G264-Q266 PolarHBondContact O-N 3.35Š| ||
| 267 | M | 81.3 | Confident | 87.3 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 19% | 0.187 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -143.5 | 159.1 | 177 | -67.3 | -175 | 56.1 | 0 | 0 | 109.3 | I128 K129 I265 V272 L275 | I128-M267 HydrophobicContact CG2-SD 3.72Å; K129-M267 HydrophobicContact CD-CE 4.44Å; K129-M267 HydrophobicContact CD-SD 3.7Å; K129-M267 WeakPolarHBondContact CE-SD 3.42Å; K129-M267 HydrophobicContact CG-SD 4.05Å; I265-M267 HydrophobicContact CG2-CB 3.84Å; I265-M267 HydrophobicContact CG2-CG 4.1Å; I265-M267 PolarHBondContact O-N 2.77Å; M267-V272 HydrophobicContact CB-CG2 3.87Å; M267-L275 HydrophobicContact CE-CD1 4.1Å |
| 268 | D | 86.6 | Confident | 87.3 | Confident | 89 Ų | 89 | 56.6 Ų | 56.6 | 48% | 0.476 | 31% | 0.312 | S | S | . | . | trans | -65.6 | 149.9 | 169.5 | 57 | -80.1 | 0 | 0 | 0 | 111.4 | E270 S271 V272 | D268-E270 VanDerWaalsContact C-N 3.33Å; D268-E270 PolarHBondContact O-N 2.86Å; D268-S271 PolarHBondContact O-N 2.9Å; D268-S271 PolarHBondContact OD1-OG 3.16Å; D268-S271 WeakPolarHBondContact OD2-CB 3.23Å; D268-S271 PolarHBondContact OD2-N 3.09Å; D268-S271 PolarHBondContact OD2-OG 3.46Å; D268-V272 PolarHBondContact O-N 2.84Å | ||
| 269 | E | 87.7 | Confident | 87.2 | Confident | 60 Ų | 60 | 57.1 Ų | 57.1 | 28% | 0.28 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.4 | -40 | -177 | -67.7 | -179.6 | 158.2 | 0 | 0 | 111.7 | S271 V272 E273 C295 S296 L297 | E269-S271 PolarHBondContact O-N 3.18Å; E269-V272 PolarHBondContact O-N 2.97Å; E269-V272 VanDerWaalsContact O-N 3.16Å; E269-E273 WeakPolarHBondContact O-CB 3.27Å; E269-E273 VanDerWaalsContact O-CG 3.28Å; E269-E273 WeakPolarHBondContact O-CG 3.28Å; E269-E273 PolarHBondContact O-N 3.16Å; E269-C295 PolarHBondContact O-SG 3.14Å; E269-S296 WeakPolarHBondContact OE1-CA 3.14Å; E269-L297 HydrophobicContact CG-CB 4.13Å; E269-L297 HydrophobicContact CG-CD1 4Å; E269-L297 HydrophobicContact CG-CG 3.98Å; E269-L297 PolarHBondContact OE1-N 2.79Å |
| 270 | E | 88.4 | Confident | 87.2 | Confident | 149 Ų | 149 | 57.1 Ų | 57.1 | 70% | 0.696 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.4 | -46.2 | 178.4 | -66.4 | -174.8 | 172.8 | 0 | 0 | 112.1 | D268 V272 E273 D274 | D268-E270 VanDerWaalsContact C-N 3.33Å; D268-E270 PolarHBondContact O-N 2.86Å; E270-V272 VanDerWaalsContact C-N 3.29Å; E270-V272 PolarHBondContact O-N 3.34Å; E270-E273 WeakPolarHBondContact O-CB 3.36Å; E270-E273 PolarHBondContact O-N 2.72Å; E270-D274 PolarHBondContact O-N 2.99Å |
| 271 | S | 88.6 | Confident | 87.2 | Confident | 41 Ų | 41 | 61 Ų | 61 | 29% | 0.287 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.4 | -34.9 | 177.3 | -66.1 | 0 | 0 | 0 | 0 | 112.6 | D268 E269 L275 | D268-S271 PolarHBondContact O-N 2.9Å; D268-S271 PolarHBondContact OD1-OG 3.16Å; D268-S271 WeakPolarHBondContact OD2-CB 3.23Å; D268-S271 PolarHBondContact OD2-N 3.09Å; D268-S271 PolarHBondContact OD2-OG 3.46Å; E269-S271 PolarHBondContact O-N 3.18Å; S271-L275 VanDerWaalsContact O-CG 3.25Å; S271-L275 WeakPolarHBondContact O-CG 3.3Å; S271-L275 PolarHBondContact O-N 3.36Å |
| 272 | V | 88.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.9 | -40.7 | 176.9 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | I128 I265 M267 D268 E269 E270 D274 L275 I276 L297 | I128-V272 HydrophobicContact CD1-CG1 4.48Å; I265-V272 HydrophobicContact CD1-CG1 4.15Å; I265-V272 HydrophobicContact CD1-CG2 4.44Å; I265-V272 HydrophobicContact CG2-CG2 3.75Å; M267-V272 HydrophobicContact CB-CG2 3.87Å; D268-V272 PolarHBondContact O-N 2.84Å; E269-V272 PolarHBondContact O-N 2.97Å; E269-V272 VanDerWaalsContact O-N 3.16Å; E270-V272 VanDerWaalsContact C-N 3.29Å; E270-V272 PolarHBondContact O-N 3.34Å; V272-D274 VanDerWaalsContact C-N 3.32Å; V272-D274 PolarHBondContact O-N 3.21Å; V272-L275 PolarHBondContact O-N 2.89Å; V272-I276 HydrophobicContact CG1-CD1 3.73Å; V272-I276 HydrophobicContact CG1-CG1 4.31Å; V272-I276 WeakPolarHBondContact O-CB 3.38Å; V272-I276 VanDerWaalsContact O-CG1 3.24Å; V272-I276 WeakPolarHBondContact O-CG1 3.34Å; V272-I276 PolarHBondContact O-N 3.35Å; V272-L297 HydrophobicContact CB-CD1 3.99Å; V272-L297 HydrophobicContact CG1-CD1 4.32Å; V272-L297 HydrophobicContact CG2-CD1 3.64Å |
| 273 | E | 91.5 | Very high | 87.4 | Confident | 24 Ų | 24 | 69.3 Ų | 69.3 | 11% | 0.112 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -56 | -46.3 | 172.7 | -73.8 | 175.7 | -175.4 | 0 | 0 | 111 | E269 E270 L275 I276 N277 V293 K294 C295 | E269-E273 WeakPolarHBondContact O-CB 3.27Å; E269-E273 VanDerWaalsContact O-CG 3.28Å; E269-E273 WeakPolarHBondContact O-CG 3.28Å; E269-E273 PolarHBondContact O-N 3.16Å; E270-E273 WeakPolarHBondContact O-CB 3.36Å; E270-E273 PolarHBondContact O-N 2.72Å; E273-L275 PolarHBondContact O-N 3.37Å; E273-I276 PolarHBondContact O-N 2.87Å; E273-N277 VanDerWaalsContact O-CB 3.26Å; E273-N277 WeakPolarHBondContact O-CB 3.38Å; E273-N277 PolarHBondContact O-N 2.86Å; E273-V293 HydrophobicContact CB-CB 4.25Å; E273-V293 HydrophobicContact CB-CG1 4.17Å; E273-V293 HydrophobicContact CG-CB 4.39Å; E273-V293 HydrophobicContact CG-CG1 4.08Å; E273-K294 VanDerWaalsContact CD-NZ 3.35Å; E273-K294 VanDerWaalsContact OE1-CA 3.29Å; E273-K294 WeakPolarHBondContact OE1-CA 3.38Å; E273-K294 IonicContact OE1-NZ 2.83Å; E273-K294 PolarHBondContact OE1-NZ 2.84Å; E273-K294 IonicContact OE2-NZ 3.9Å; E273-K294 PolarHBondContact OE2-NZ 3.09Å; E273-C295 HydrophobicContact CG-CB 4.22Å; E273-C295 PolarHBondContact OE1-N 3.14Å |
| 274 | D | 91 | Very high | 87.6 | Confident | 100 Ų | 100 | 69.8 Ų | 69.8 | 54% | 0.535 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 177.2 | -83.8 | -13.9 | 0 | 0 | 0 | 112.8 | E270 V272 N277 I278 | E270-D274 PolarHBondContact O-N 2.99Å; V272-D274 VanDerWaalsContact C-N 3.32Å; V272-D274 PolarHBondContact O-N 3.21Å; D274-N277 WeakPolarHBondContact O-CB 3.13Å; D274-N277 PolarHBondContact O-N 2.95Å; D274-I278 WeakPolarHBondContact O-CB 3.27Å; D274-I278 WeakPolarHBondContact O-CD1 3.46Å; D274-I278 VanDerWaalsContact O-CG1 3.25Å; D274-I278 WeakPolarHBondContact O-CG1 3.2Å; D274-I278 PolarHBondContact O-N 3.11Å |
| 275 | L | 90.5 | Very high | 88.2 | Confident | 48 Ų | 48 | 67.4 Ų | 67.4 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 178.8 | -71.8 | 170.3 | 0 | 0 | 0 | 112 | I128 M267 S271 V272 E273 H279 | I128-L275 HydrophobicContact CB-CD1 4.38Å; I128-L275 HydrophobicContact CG1-CD1 4.43Å; I128-L275 HydrophobicContact CG2-CD1 3.86Å; M267-L275 HydrophobicContact CE-CD1 4.1Å; S271-L275 VanDerWaalsContact O-CG 3.25Å; S271-L275 WeakPolarHBondContact O-CG 3.3Å; S271-L275 PolarHBondContact O-N 3.36Å; V272-L275 PolarHBondContact O-N 2.89Å; E273-L275 PolarHBondContact O-N 3.37Å; L275-H279 WeakPolarHBondContact O-CB 3.39Å; L275-H279 PolarHBondContact O-N 3.28Å |
| 276 | I | 90.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63 | -48.2 | 173.3 | -70.6 | 169.6 | 0 | 0 | 0 | 109.5 | A105 I107 L259 M262 V272 E273 I278 H279 F280 V293 | A105-I276 HydrophobicContact CB-CD1 4.03Å; I107-I276 HydrophobicContact CD1-CG2 4.19Å; L259-I276 HydrophobicContact CD1-CG2 3.6Å; M262-I276 HydrophobicContact SD-CD1 3.54Å; M262-I276 VanDerWaalsContact SD-CD1 3.54Å; M262-I276 HydrophobicContact SD-CG1 4.49Å; V272-I276 HydrophobicContact CG1-CD1 3.73Å; V272-I276 HydrophobicContact CG1-CG1 4.31Å; V272-I276 WeakPolarHBondContact O-CB 3.38Å; V272-I276 VanDerWaalsContact O-CG1 3.24Å; V272-I276 WeakPolarHBondContact O-CG1 3.34Å; V272-I276 PolarHBondContact O-N 3.35Å; E273-I276 PolarHBondContact O-N 2.87Å; I276-I278 PolarHBondContact O-N 3.33Å; I276-H279 WeakPolarHBondContact O-CB 3.29Å; I276-H279 PolarHBondContact O-N 3.47Å; I276-H279 VanDerWaalsContact O-N 3.13Å; I276-F280 HydrophobicContact CG2-CD2 3.71Å; I276-F280 HydrophobicContact CG2-CE2 4Å; I276-F280 VanDerWaalsContact O-CD2 3.29Å; I276-F280 WeakPolarHBondContact O-CD2 3.39Å; I276-F280 PolarHBondContact O-N 3.32Å; I276-V293 HydrophobicContact CB-CG1 4.16Å; I276-V293 HydrophobicContact CG2-CG1 3.75Å |
| 277 | N | 91.6 | Very high | 88.9 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 21% | 0.209 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.8 | -53.6 | 177.8 | -171 | -1.8 | 0 | 0 | 0 | 110.9 | E273 D274 H279 F280 Q281 V290 V293 | E273-N277 VanDerWaalsContact O-CB 3.26Å; E273-N277 WeakPolarHBondContact O-CB 3.38Å; E273-N277 PolarHBondContact O-N 2.86Å; D274-N277 WeakPolarHBondContact O-CB 3.13Å; D274-N277 PolarHBondContact O-N 2.95Å; N277-H279 VanDerWaalsContact C-N 3.27Å; N277-H279 PolarHBondContact O-N 2.98Å; N277-F280 CarbonylContact O-C 3.49Å; N277-F280 PolarHBondContact O-N 2.79Å; N277-Q281 WeakPolarHBondContact O-CG 3.48Å; N277-Q281 PolarHBondContact O-N 2.86Å; N277-Q281 PolarHBondContact OD1-NE2 3.04Å; N277-V290 VanDerWaalsContact OD1-CB 3.31Å; N277-V290 WeakPolarHBondContact OD1-CB 3.04Å; N277-V293 HydrophobicContact CB-CG2 3.95Å |
| 278 | I | 90.8 | Very high | 89.3 | Confident | 89 Ų | 89 | 57.2 Ų | 57.2 | 46% | 0.456 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61 | -35.7 | 178.5 | -66.9 | 164.3 | 0 | 0 | 0 | 112.1 | D274 I276 | D274-I278 WeakPolarHBondContact O-CB 3.27Å; D274-I278 WeakPolarHBondContact O-CD1 3.46Å; D274-I278 VanDerWaalsContact O-CG1 3.25Å; D274-I278 WeakPolarHBondContact O-CG1 3.2Å; D274-I278 PolarHBondContact O-N 3.11Å; I276-I278 PolarHBondContact O-N 3.33Å |
| 279 | H | 90.6 | Very high | 89.5 | Confident | 20 Ų | 20 | 59 Ų | 59 | 9% | 0.093 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 177.4 | -175.6 | 90.2 | 0 | 0 | 0 | 111.4 | Q125 V126 L275 I276 N277 R282 N285 | Q125-H279 PolarHBondContact O-CE1 2.96Å; V126-H279 HydrophobicContact CG1-CB 4.11Å; L275-H279 WeakPolarHBondContact O-CB 3.39Å; L275-H279 PolarHBondContact O-N 3.28Å; I276-H279 WeakPolarHBondContact O-CB 3.29Å; I276-H279 PolarHBondContact O-N 3.47Å; I276-H279 VanDerWaalsContact O-N 3.13Å; N277-H279 VanDerWaalsContact C-N 3.27Å; N277-H279 PolarHBondContact O-N 2.98Å; H279-R282 PolarHBondContact O-N 3.38Å; H279-N285 PolarHBondContact CE1-ND2 3Å; H279-N285 VanDerWaalsContact CE1-ND2 3.27Å; H279-N285 PolarHBondContact NE2-ND2 3.25Å; H279-N285 PolarHBondContact O-ND2 3.41Å |
| 280 | F | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -87.3 | -1.3 | -176.1 | -71.7 | -72.9 | 0 | 0 | 0 | 114.3 | I107 F109 V118 H124 V126 L259 I276 N277 R282 G287 G288 V290 | I107-F280 HydrophobicContact CD1-CB 3.46Å; I107-F280 VanDerWaalsContact CD1-CB 3.46Å; I107-F280 HydrophobicContact CD1-CD2 3.79Å; I107-F280 HydrophobicContact CD1-CG 3.8Å; F109-F280 HydrophobicContact CE1-CB 3.98Å; F109-F280 HydrophobicContact CZ-CB 3.98Å; F109-F280 HydrophobicContact CZ-CD1 4.36Å; F109-F280 HydrophobicContact CZ-CG 4.32Å; V118-F280 HydrophobicContact CG1-CD1 3.95Å; V118-F280 HydrophobicContact CG1-CE1 3.58Å; V118-F280 HydrophobicContact CG1-CZ 4.44Å; V118-F280 HydrophobicContact CG2-CD1 3.96Å; V118-F280 HydrophobicContact CG2-CE1 4.34Å; H124-F280 HydrophobicContact CB-CE1 4.29Å; H124-F280 HydrophobicContact CB-CZ 3.99Å; H124-F280 AromaticContact CD2-CE1 3.9Å; H124-F280 AromaticContact CE1-CE1 3.81Å; H124-F280 AromaticContact CG-CE1 3.68Å; H124-F280 AromaticContact CG-CZ 3.82Å; H124-F280 AromaticContact ND1-CE1 3.65Å; H124-F280 AromaticContact NE2-CE1 3.97Å; V126-F280 HydrophobicContact CG2-CE2 4.36Å; L259-F280 HydrophobicContact CD1-CD2 4.17Å; L259-F280 HydrophobicContact CD1-CE2 3.51Å; L259-F280 HydrophobicContact CD1-CZ 4.12Å; L259-F280 HydrophobicContact CD2-CE2 4.02Å; L259-F280 HydrophobicContact CD2-CZ 3.74Å; L259-F280 HydrophobicContact CG-CE2 4.43Å; I276-F280 HydrophobicContact CG2-CD2 3.71Å; I276-F280 HydrophobicContact CG2-CE2 4Å; I276-F280 VanDerWaalsContact O-CD2 3.29Å; I276-F280 WeakPolarHBondContact O-CD2 3.39Å; I276-F280 PolarHBondContact O-N 3.32Å; N277-F280 CarbonylContact O-C 3.49Å; N277-F280 PolarHBondContact O-N 2.79Å; F280-R282 VanDerWaalsContact C-N 3.26Å; F280-G287 CarbonylContact O-C 3.51Å; F280-G287 VanDerWaalsContact O-C 3.26Å; F280-G287 WeakPolarHBondContact O-CA 3.26Å; F280-G288 PolarHBondContact O-N 3.34Å; F280-V290 HydrophobicContact CB-CG2 4.49Å |
| 281 | Q | 92.3 | Very high | 89.6 | Confident | 102 Ų | 102 | 54 Ų | 54 | 48% | 0.477 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -14.9 | 163.3 | -77.9 | -178.7 | 10.1 | 0 | 0 | 113.4 | N277 G288 V290 | N277-Q281 WeakPolarHBondContact O-CG 3.48Å; N277-Q281 PolarHBondContact O-N 2.86Å; N277-Q281 PolarHBondContact OD1-NE2 3.04Å; Q281-G288 WeakPolarHBondContact CA-O 3.41Å; Q281-V290 HydrophobicContact CG-CG2 3.97Å |
| 282 | R | 89.7 | Confident | 89.6 | Confident | 127 Ų | 127 | 54.8 Ų | 54.8 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | trans | -87.3 | 120.2 | -175 | -64.6 | 172.6 | 175.1 | -169.2 | -3.9 | 111.1 | H279 F280 K284 N285 G287 | H279-R282 PolarHBondContact O-N 3.38Å; F280-R282 VanDerWaalsContact C-N 3.26Å; R282-K284 HydrophobicContact CB-CG 4.07Å; R282-K284 PolarHBondContact O-N 3.25Å; R282-K284 VanDerWaalsContact O-N 3.09Å; R282-N285 WeakPolarHBondContact O-CB 3.29Å; R282-N285 PolarHBondContact O-N 2.89Å; R282-G287 PolarHBondContact O-N 3.02Å | ||
| 283 | A | 86.2 | Confident | 89.7 | Confident | 87 Ų | 87 | 55.3 Ų | 55.3 | 72% | 0.719 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -54.7 | -32 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N285 G286 | A283-N285 PolarHBondContact O-N 3.06Å; A283-N285 VanDerWaalsContact O-N 3.14Å; A283-G286 PolarHBondContact O-N 3.22Å |
| 284 | K | 86.8 | Confident | 89.6 | Confident | 157 Ų | 157 | 58.4 Ų | 58.4 | 68% | 0.683 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -62.1 | -19 | 176.3 | 63.4 | 167.9 | -176.7 | 177.3 | 0 | 114.4 | R282 | R282-K284 HydrophobicContact CB-CG 4.07Å; R282-K284 PolarHBondContact O-N 3.25Å; R282-K284 VanDerWaalsContact O-N 3.09Å |
| 285 | N | 87.5 | Confident | 89.6 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 13% | 0.134 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -100.6 | 15.3 | 177.9 | -60.3 | -23.8 | 0 | 0 | 0 | 111.3 | M121 H124 H279 R282 A283 G287 | M121-N285 VanDerWaalsContact SD-C 3.51Å; H124-N285 PolarHBondContact CE1-O 3.41Å; H124-N285 VanDerWaalsContact CE1-O 3.3Å; H279-N285 PolarHBondContact CE1-ND2 3Å; H279-N285 VanDerWaalsContact CE1-ND2 3.27Å; H279-N285 PolarHBondContact NE2-ND2 3.25Å; H279-N285 PolarHBondContact O-ND2 3.41Å; R282-N285 WeakPolarHBondContact O-CB 3.29Å; R282-N285 PolarHBondContact O-N 2.89Å; A283-N285 PolarHBondContact O-N 3.06Å; A283-N285 VanDerWaalsContact O-N 3.14Å; N285-G287 PolarHBondContact O-N 2.81Å |
| 286 | G | 85.3 | Confident | 89.5 | Confident | 16 Ų | 16 | 51.3 Ų | 51.3 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 6.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114 | V118 A283 | V118-G286 WeakPolarHBondContact CG2-O 3.42Å; A283-G286 PolarHBondContact O-N 3.22Å |
| 287 | G | 87.8 | Confident | 89.2 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | trans | -85.7 | 178.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V114 F280 R282 N285 | V114-G287 VanDerWaalsContact CG1-C 3.5Å; F280-G287 CarbonylContact O-C 3.51Å; F280-G287 VanDerWaalsContact O-C 3.26Å; F280-G287 WeakPolarHBondContact O-CA 3.26Å; R282-G287 PolarHBondContact O-N 3.02Å; N285-G287 PolarHBondContact O-N 2.81Å | ||
| 288 | G | 91.3 | Very high | 88.6 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | trans | -171.3 | -160 | -175 | 0 | 0 | 0 | 0 | 0 | 111.6 | V114 F280 Q281 V290 | V114-G288 VanDerWaalsContact CG1-N 3.32Å; F280-G288 PolarHBondContact O-N 3.34Å; Q281-G288 WeakPolarHBondContact CA-O 3.41Å; G288-V290 WeakPolarHBondContact O-CG2 3.29Å; G288-V290 PolarHBondContact O-N 2.89Å | ||
| 289 | E | 90.9 | Very high | 88.1 | Confident | 127 Ų | 127 | 58.7 Ų | 58.7 | 59% | 0.593 | 31% | 0.305 | S | S | * | . | trans | -65.2 | 125.2 | -178.8 | -163.5 | 159.3 | -165.9 | 0 | 0 | 111.2 | F109 E110 | F109-E289 WeakPolarHBondContact CA-O 3.29Å; E110-E289 HydrophobicContact CB-CB 4.22Å; E110-E289 VanDerWaalsContact CD-CD 3.42Å; E110-E289 VanDerWaalsContact CD-CG 3.48Å; E110-E289 HydrophobicContact CG-CB 4.06Å; E110-E289 HydrophobicContact CG-CG 3.84Å; E110-E289 PolarHBondContact N-O 3.31Å; E110-E289 VanDerWaalsContact OE2-CD 3.31Å | ||
| 290 | V | 89.7 | Confident | 87.8 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.3 | -174.6 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | I107 F109 N277 F280 Q281 G288 V293 | I107-V290 HydrophobicContact CD1-CG1 3.98Å; I107-V290 HydrophobicContact CD1-CG2 3.94Å; I107-V290 HydrophobicContact CG1-CG1 3.86Å; I107-V290 HydrophobicContact CG1-CG2 4.48Å; F109-V290 HydrophobicContact CD1-CG2 3.97Å; F109-V290 HydrophobicContact CE1-CG2 3.79Å; N277-V290 VanDerWaalsContact OD1-CB 3.31Å; N277-V290 WeakPolarHBondContact OD1-CB 3.04Å; F280-V290 HydrophobicContact CB-CG2 4.49Å; Q281-V290 HydrophobicContact CG-CG2 3.97Å; G288-V290 WeakPolarHBondContact O-CG2 3.29Å; G288-V290 PolarHBondContact O-N 2.89Å; V290-V293 HydrophobicContact CG1-CG2 3.59Å |
| 291 | D | 88.1 | Confident | 87.2 | Confident | 88 Ų | 88 | 63.8 Ų | 63.8 | 47% | 0.471 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -51.7 | -179.6 | -166.1 | 8.9 | 0 | 0 | 0 | 110.4 | T108 E110 R255 | T108-D291 HydrophobicContact CG2-CB 4.49Å; T108-D291 PolarHBondContact O-N 2.86Å; E110-D291 HydrophobicContact CG-CB 4.47Å; R255-D291 IonicContact NH2-OD2 2.71Å |
| 292 | V | 88.6 | Confident | 86.7 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 34% | 0.339 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 144.5 | 178.4 | 65.3 | 0 | 0 | 0 | 0 | 112.2 | T108 K294 | T108-V292 HydrophobicContact CG2-CG1 4.48Å; T108-V292 PolarHBondContact N-O 3.01Å; T108-V292 PolarHBondContact O-N 3.42Å; T108-V292 WeakPolarHBondContact OG1-CG1 3.38Å; V292-K294 HydrophobicContact CG2-CG 4.34Å |
| 293 | V | 89.9 | Confident | 86.1 | Confident | 12 Ų | 12 | 57.8 Ų | 57.8 | 7% | 0.073 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 135.1 | 167.9 | -170.3 | 0 | 0 | 0 | 0 | 108.3 | L106 I107 E273 I276 N277 V290 | L106-V293 WeakPolarHBondContact O-CA 3.02Å; I107-V293 HydrophobicContact CB-CG2 4.49Å; I107-V293 HydrophobicContact CD1-CG2 4.08Å; I107-V293 HydrophobicContact CG1-CG2 4.03Å; E273-V293 HydrophobicContact CB-CB 4.25Å; E273-V293 HydrophobicContact CB-CG1 4.17Å; E273-V293 HydrophobicContact CG-CB 4.39Å; E273-V293 HydrophobicContact CG-CG1 4.08Å; I276-V293 HydrophobicContact CB-CG1 4.16Å; I276-V293 HydrophobicContact CG2-CG1 3.75Å; N277-V293 HydrophobicContact CB-CG2 3.95Å; V290-V293 HydrophobicContact CG1-CG2 3.59Å |
| 294 | K | 90.8 | Very high | 85.5 | Confident | 88 Ų | 88 | 59.9 Ų | 59.9 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 126.8 | 173.8 | -81.7 | -72.6 | 140.9 | -133.9 | 0 | 109.8 | L100 A105 L106 E273 V292 A303 | L100-K294 HydrophobicContact CD1-CB 4.23Å; A105-K294 CarbonylContact C-O 3.44Å; A105-K294 WeakPolarHBondContact CA-O 3.27Å; A105-K294 WeakPolarHBondContact CB-O 3.16Å; L106-K294 PolarHBondContact N-O 2.85Å; L106-K294 PolarHBondContact O-N 3.36Å; E273-K294 VanDerWaalsContact CD-NZ 3.35Å; E273-K294 VanDerWaalsContact OE1-CA 3.29Å; E273-K294 WeakPolarHBondContact OE1-CA 3.38Å; E273-K294 IonicContact OE1-NZ 2.83Å; E273-K294 PolarHBondContact OE1-NZ 2.84Å; E273-K294 IonicContact OE2-NZ 3.9Å; E273-K294 PolarHBondContact OE2-NZ 3.09Å; V292-K294 HydrophobicContact CG2-CG 4.34Å; K294-A303 HydrophobicContact CB-CB 4.33Å |
| 295 | C | 89.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 151 | 178.1 | 77.8 | 0 | 0 | 0 | 0 | 112.9 | Q104 A105 E269 E273 H301 | Q104-C295 WeakPolarHBondContact O-CA 3.29Å; A105-C295 HydrophobicContact CB-CB 3.49Å; A105-C295 VanDerWaalsContact CB-CB 3.49Å; E269-C295 PolarHBondContact O-SG 3.14Å; E273-C295 HydrophobicContact CG-CB 4.22Å; E273-C295 PolarHBondContact OE1-N 3.14Å; C295-H301 PolarHBondContact O-CE1 2.94Å |
| 296 | S | 88.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 114.6 | 172 | 169.2 | 0 | 0 | 0 | 0 | 108.5 | G103 Q104 E269 Q299 | G103-S296 WeakPolarHBondContact CA-O 3.45Å; G103-S296 PolarHBondContact N-O 3.2Å; Q104-S296 PolarHBondContact N-O 3.16Å; Q104-S296 PolarHBondContact O-N 3.31Å; E269-S296 WeakPolarHBondContact OE1-CA 3.14Å; S296-Q299 PolarHBondContact OG-O 3.11Å |
| 297 | L | 84.3 | Confident | 82.7 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -108.9 | -30.1 | -178.4 | -61.7 | 178.2 | 0 | 0 | 0 | 113.2 | K102 M262 I265 E269 V272 | K102-L297 WeakPolarHBondContact CE-O 3.49Å; K102-L297 VanDerWaalsContact CG-O 3.23Å; K102-L297 WeakPolarHBondContact CG-O 3.38Å; M262-L297 HydrophobicContact CB-CD2 4.41Å; I265-L297 HydrophobicContact CB-CD2 4.4Å; I265-L297 HydrophobicContact CD1-CD2 4.02Å; I265-L297 HydrophobicContact CG2-CD1 4.45Å; E269-L297 HydrophobicContact CG-CB 4.13Å; E269-L297 HydrophobicContact CG-CD1 4Å; E269-L297 HydrophobicContact CG-CG 3.98Å; E269-L297 PolarHBondContact OE1-N 2.79Å; V272-L297 HydrophobicContact CB-CD1 3.99Å; V272-L297 HydrophobicContact CG1-CD1 4.32Å; V272-L297 HydrophobicContact CG2-CD1 3.64Å |
| 298 | D | 79.8 | Confident | 82.5 | Confident | 119 Ų | 119 | 60.1 Ų | 60.1 | 64% | 0.636 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -107.4 | -62.2 | -176.7 | -75.5 | -33.9 | 0 | 0 | 0 | 112.8 | K102 | K102-D298 WeakPolarHBondContact CD-O 3.46Š|
| 299 | Q | 80.2 | Confident | 82 | Confident | 154 Ų | 154 | 62.4 Ų | 62.4 | 72% | 0.72 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -123 | 142.7 | -176.7 | -67.9 | -171.6 | -12.8 | 0 | 0 | 111.6 | S296 | S296-Q299 PolarHBondContact OG-O 3.11Š|
| 300 | P | 84.2 | Confident | 81.5 | Confident | 67 Ų | 67 | 58.8 Ų | 58.8 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | trans | -58 | 139.8 | 173.1 | -21.6 | 32.3 | 0 | 0 | 0 | 111.5 | L100 | L100-P300 WeakPolarHBondContact O-CA 3.43Å; L100-P300 WeakPolarHBondContact O-CB 3.39Å | ||
| 301 | H | 81.3 | Confident | 81 | Confident | 61 Ų | 61 | 61.2 Ų | 61.2 | 28% | 0.282 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 161.1 | 174 | 66.8 | -104.7 | 0 | 0 | 0 | 111.4 | L100 C295 A303 | L100-H301 PolarHBondContact N-O 2.91Å; L100-H301 PolarHBondContact O-N 3.12Å; C295-H301 PolarHBondContact O-CE1 2.94Å; H301-A303 PolarHBondContact O-N 3.19Å |
| 302 | I | 81.3 | Confident | 80.6 | Confident | 97 Ų | 97 | 59.6 Ų | 59.6 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 118.9 | 177.7 | -59.5 | 175.9 | 0 | 0 | 0 | 108.7 | P97 Y98 Y304 | P97-I302 HydrophobicContact CB-CG2 3.67Å; Y98-I302 WeakPolarHBondContact O-CA 3.32Å; I302-Y304 HydrophobicContact CG2-CE1 4.25Å; I302-Y304 HydrophobicContact CG2-CE2 3.97Å |
| 303 | A | 77.6 | Confident | 80.1 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 148.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y98 L100 L106 K294 H301 | Y98-A303 PolarHBondContact N-O 3.21Å; Y98-A303 PolarHBondContact O-N 3.39Å; L100-A303 HydrophobicContact CD1-CB 3.58Å; L100-A303 HydrophobicContact CG-CB 3.92Å; L106-A303 HydrophobicContact CD1-CB 3.81Å; K294-A303 HydrophobicContact CB-CB 4.33Å; H301-A303 PolarHBondContact O-N 3.19Å |
| 304 | Y | 73.2 | Confident | 79.4 | Confident | 132 Ų | 132 | 63.2 Ų | 63.2 | 52% | 0.518 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 140.3 | 177.2 | -63.8 | -86.8 | 0 | 0 | 0 | 108.7 | K95 P97 I302 | K95-Y304 HydrophobicContact CB-CD1 3.92Å; K95-Y304 HydrophobicContact CB-CG 4.42Å; P97-Y304 HydrophobicContact CB-CD1 4.24Å; P97-Y304 HydrophobicContact CB-CE1 3.93Å; I302-Y304 HydrophobicContact CG2-CE1 4.25Å; I302-Y304 HydrophobicContact CG2-CE2 3.97Å |
| 305 | F | 74.3 | Confident | 78.5 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 2% | 0.022 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 156 | 175.9 | 63.4 | -80.4 | 0 | 0 | 0 | 110.7 | V96 V140 L142 T256 | V96-F305 HydrophobicContact CB-CE1 3.85Å; V96-F305 HydrophobicContact CB-CE2 4.32Å; V96-F305 HydrophobicContact CB-CZ 3.72Å; V96-F305 HydrophobicContact CG1-CE1 3.99Å; V96-F305 HydrophobicContact CG1-CZ 3.85Å; V96-F305 PolarHBondContact N-O 2.85Å; V96-F305 VanDerWaalsContact O-CD1 3.27Å; V96-F305 WeakPolarHBondContact O-CD1 3.36Å; V96-F305 VanDerWaalsContact O-CE1 3.25Å; V96-F305 WeakPolarHBondContact O-CE1 3.41Å; V140-F305 HydrophobicContact CG1-CE1 4.35Å; V140-F305 HydrophobicContact CG1-CZ 4.07Å; L142-F305 HydrophobicContact CD2-CD2 4.43Å; L142-F305 HydrophobicContact CD2-CE2 3.13Å; L142-F305 HydrophobicContact CD2-CZ 3.27Å; T256-F305 HydrophobicContact CG2-CB 4.19Å; T256-F305 HydrophobicContact CG2-CD2 4.16Å; T256-F305 HydrophobicContact CG2-CG 4.16Å; T256-F305 VanDerWaalsContact OG1-CD2 3.29Å; T256-F305 WeakPolarHBondContact OG1-CD2 3.18Å |
| 306 | E | 63.1 | Low | 77.6 | Confident | 100 Ų | 100 | 66.4 Ų | 66.4 | 47% | 0.467 | 32% | 0.324 | S | S | . | . | trans | -110.7 | 135.4 | -173.4 | -64.2 | -177.6 | -174.8 | 0 | 0 | 109.5 | K95 | K95-E306 WeakPolarHBondContact CE-OE1 3.5Å; K95-E306 HydrophobicContact CG-CG 4.38Å; K95-E306 IonicContact NZ-OE1 2.71Å; K95-E306 PolarHBondContact NZ-OE1 2.93Å | ||
| 307 | E | 63.5 | Low | 76.6 | Confident | 47 Ų | 47 | 72.5 Ų | 72.5 | 22% | 0.22 | 35% | 0.354 | C | S | . | . | trans | -113 | 0 | 177 | -165.6 | 77.3 | -140.8 | 0 | 0 | 111.7 | S93 F249 S253 K254 | S93-E307 PolarHBondContact OG-O 3.47Å; S93-E307 VanDerWaalsContact OG-O 3.11Å; F249-E307 HydrophobicContact CE2-CB 4.37Å; F249-E307 HydrophobicContact CZ-CB 4.4Å; S253-E307 VanDerWaalsContact CA-OE2 3.25Å; S253-E307 WeakPolarHBondContact CA-OE2 3.46Å; S253-E307 VanDerWaalsContact CB-OE2 3.31Å; S253-E307 WeakPolarHBondContact CB-OE2 3.22Å; S253-E307 PolarHBondContact OG-OE2 3.03Å; K254-E307 VanDerWaalsContact CB-OE1 3.23Å; K254-E307 WeakPolarHBondContact CB-OE1 3.46Å; K254-E307 PolarHBondContact N-OE1 3.13Å; K254-E307 PolarHBondContact N-OE2 3.29Å |
Retrieved 307 of 307 residues in 57.8 ms
(Link to these results)