| 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 | 54.7 | Low | 62.9 | Low | 234 Ų | 234 | 143.2 Ų | 143.2 | 100% | 1.153 | 77% | 0.771 | S | S | * | * | 0 | 133.7 | 0 | -84 | -177.8 | -108.2 | 0 | 0 | 107.7 | |||||
| 2 | P | 61.4 | Low | 64.2 | Low | 125 Ų | 125 | 142.8 Ų | 142.8 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 146.8 | 166.6 | 29.8 | -30.9 | 0 | 0 | 0 | 108.7 | ||
| 3 | L | 58.7 | Low | 65.5 | Low | 156 Ų | 156 | 139.1 Ų | 139.1 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 137.8 | 174 | -71.7 | 164.9 | 0 | 0 | 0 | 108.4 | D5 | L3-D5 PolarHBondContact O-N 2.95Š|
| 4 | P | 64.6 | Low | 66.8 | Low | 116 Ų | 116 | 140.1 Ų | 140.1 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 130 | 177 | 24.3 | -31.1 | 0 | 0 | 0 | 109.6 | T6 | P4-T6 PolarHBondContact O-N 3.01Š|
| 5 | D | 62.1 | Low | 68.2 | Low | 140 Ų | 140 | 137.8 Ų | 137.8 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | trans | -59.8 | 107.4 | 173.1 | -72.9 | -42.8 | 0 | 0 | 0 | 108.9 | L3 F7 | L3-D5 PolarHBondContact O-N 2.95Å; D5-F7 HydrophobicContact CB-CD2 4.43Å; D5-F7 HydrophobicContact CB-CE2 4.23Å; D5-F7 WeakPolarHBondContact O-CD2 3.46Å; D5-F7 PolarHBondContact O-N 3.41Å | ||
| 6 | T | 63.2 | Low | 69.7 | Low | 104 Ų | 104 | 133.3 Ų | 133.3 | 64% | 0.638 | 71% | 0.713 | S | S | * | * | trans | -65.3 | 95.9 | 170.3 | 11.8 | 0 | 0 | 0 | 0 | 108.8 | P4 Y8 | P4-T6 PolarHBondContact O-N 3.01Å; T6-Y8 WeakPolarHBondContact O-CD2 3.38Å; T6-Y8 PolarHBondContact O-N 2.89Å; T6-Y8 VanDerWaalsContact O-N 3.16Å | ||
| 7 | F | 65.9 | Low | 71.1 | Confident | 169 Ų | 169 | 131.6 Ų | 131.6 | 74% | 0.741 | 71% | 0.711 | S | S | * | * | trans | -69.7 | 102.1 | 166.9 | -81.2 | -88.6 | 0 | 0 | 0 | 108.8 | D5 Q12 | D5-F7 HydrophobicContact CB-CD2 4.43Å; D5-F7 HydrophobicContact CB-CE2 4.23Å; D5-F7 WeakPolarHBondContact O-CD2 3.46Å; D5-F7 PolarHBondContact O-N 3.41Å; F7-Q12 PolarHBondContact O-OE1 3.49Å | ||
| 8 | Y | 62.1 | Low | 72.4 | Confident | 177 Ų | 177 | 130.7 Ų | 130.7 | 69% | 0.694 | 70% | 0.701 | S | S | * | * | trans | -83.5 | 108.4 | 168.2 | -64 | -79.3 | 0 | 0 | 0 | 108.9 | T6 | T6-Y8 WeakPolarHBondContact O-CD2 3.38Å; T6-Y8 PolarHBondContact O-N 2.89Å; T6-Y8 VanDerWaalsContact O-N 3.16Å | ||
| 9 | C | 64.8 | Low | 73.5 | Confident | 66 Ų | 66 | 127.5 Ų | 127.5 | 45% | 0.446 | 68% | 0.684 | S | S | . | * | trans | -91.9 | 136.5 | 169.6 | -75.2 | 0 | 0 | 0 | 0 | 110.1 | Q11 Q12 | C9-Q11 PolarHBondContact O-N 3.43Å; C9-Q12 HydrophobicContact CB-CG 4.24Å; C9-Q12 WeakPolarHBondContact O-CB 3.31Å; C9-Q12 PolarHBondContact O-N 3.38Å | ||
| 10 | A | 64.7 | Low | 74.6 | Confident | 94 Ų | 94 | 124.8 Ų | 124.8 | 78% | 0.777 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -56 | -25.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q12 I13 | A10-Q12 VanDerWaalsContact C-N 3.27Å; A10-Q12 PolarHBondContact O-N 2.99Å; A10-I13 PolarHBondContact O-N 3.23Å |
| 11 | Q | 69.4 | Low | 75.6 | Confident | 194 Ų | 194 | 123.7 Ų | 123.7 | 91% | 0.907 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -71.3 | -17.6 | 176.4 | -65.3 | 170.5 | -9.7 | 0 | 0 | 113.8 | C9 | C9-Q11 PolarHBondContact O-N 3.43Š|
| 12 | Q | 79.4 | Confident | 77.6 | Confident | 138 Ų | 138 | 115.8 Ų | 115.8 | 65% | 0.645 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -87.3 | -16.3 | 179.3 | -63.5 | 170.6 | -44.9 | 0 | 0 | 112.5 | F7 C9 A10 | F7-Q12 PolarHBondContact O-OE1 3.49Å; C9-Q12 HydrophobicContact CB-CG 4.24Å; C9-Q12 WeakPolarHBondContact O-CB 3.31Å; C9-Q12 PolarHBondContact O-N 3.38Å; A10-Q12 VanDerWaalsContact C-N 3.27Å; A10-Q12 PolarHBondContact O-N 2.99Å |
| 13 | I | 80.3 | Confident | 79.2 | Confident | 95 Ų | 95 | 114 Ų | 114 | 49% | 0.487 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -108.7 | 100.2 | -178.4 | -54.7 | 176.7 | 0 | 0 | 0 | 107.8 | A10 I15 | A10-I13 PolarHBondContact O-N 3.23Å; I13-I15 HydrophobicContact CG2-CG1 3.97Å; I13-I15 PolarHBondContact O-N 3.19Å |
| 14 | N | 84.5 | Confident | 81.1 | Confident | 153 Ų | 153 | 112.1 Ų | 112.1 | 82% | 0.818 | 60% | 0.597 | S | S | * | * | trans | -78.2 | 105.7 | 173.3 | -172.7 | 23.8 | 0 | 0 | 0 | 109.5 | ||||
| 15 | I | 86.8 | Confident | 82.6 | Confident | 106 Ų | 106 | 109.6 Ų | 109.6 | 54% | 0.544 | 58% | 0.582 | S | S | . | * | trans | -91.8 | 119 | 176 | -57.7 | 177.5 | 0 | 0 | 0 | 108 | I13 L19 | I13-I15 HydrophobicContact CG2-CG1 3.97Å; I13-I15 PolarHBondContact O-N 3.19Å; I15-L19 HydrophobicContact CG2-CD2 4.12Å | ||
| 16 | P | 92.8 | Very high | 84.3 | Confident | 66 Ų | 66 | 104.4 Ų | 104.4 | 43% | 0.429 | 55% | 0.553 | S | S | . | * | trans | -56.7 | 134.6 | 174.7 | -24.5 | 34.3 | 0 | 0 | 0 | 111.1 | E18 L19 | P16-E18 PolarHBondContact O-N 3.01Å; P16-L19 HydrophobicContact CB-CB 4.4Å; P16-L19 WeakPolarHBondContact O-CB 3.35Å; P16-L19 PolarHBondContact O-N 3.2Å; P16-L19 VanDerWaalsContact O-N 3.13Å | ||
| 17 | P | 93.3 | Very high | 85.9 | Confident | 104 Ų | 104 | 102.9 Ų | 102.9 | 68% | 0.675 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.8 | -174.1 | 23.7 | -31.3 | 0 | 0 | 0 | 113.4 | P20 | P17-P20 WeakPolarHBondContact O-CD 3.42Š|
| 18 | E | 94.4 | Very high | 87.3 | Confident | 116 Ų | 116 | 100.8 Ų | 100.8 | 54% | 0.542 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -20.1 | 179.2 | -54.6 | 79 | -170.9 | 0 | 0 | 113.4 | P16 D21 I22 | P16-E18 PolarHBondContact O-N 3.01Å; E18-D21 PolarHBondContact O-N 3.46Å; E18-I22 HydrophobicContact CB-CD1 4.19Å; E18-I22 WeakPolarHBondContact O-CG1 3.45Å; E18-I22 PolarHBondContact O-N 3.47Å; E18-I22 VanDerWaalsContact O-N 3.11Å |
| 19 | L | 94.1 | Very high | 88.9 | Confident | 70 Ų | 70 | 92.7 Ų | 92.7 | 37% | 0.366 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.9 | -44.9 | -173.3 | -179.9 | 65 | 0 | 0 | 0 | 113.1 | I15 P16 D21 I22 L23 | I15-L19 HydrophobicContact CG2-CD2 4.12Å; P16-L19 HydrophobicContact CB-CB 4.4Å; P16-L19 WeakPolarHBondContact O-CB 3.35Å; P16-L19 PolarHBondContact O-N 3.2Å; P16-L19 VanDerWaalsContact O-N 3.13Å; L19-D21 VanDerWaalsContact C-N 3.32Å; L19-D21 PolarHBondContact O-N 3.37Å; L19-I22 PolarHBondContact O-N 3.13Å; L19-L23 HydrophobicContact CD1-CD1 4.11Å; L19-L23 HydrophobicContact CD1-CG 4.06Å; L19-L23 HydrophobicContact CG-CD1 4.03Å; L19-L23 HydrophobicContact CG-CG 4.38Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.48Å |
| 20 | P | 94.8 | Very high | 90.4 | Very high | 73 Ų | 73 | 90.3 Ų | 90.3 | 47% | 0.474 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.4 | -41 | 178.5 | -25.1 | 35.9 | 0 | 0 | 0 | 113.5 | P17 L23 K24 | P17-P20 WeakPolarHBondContact O-CD 3.42Å; P20-L23 PolarHBondContact O-N 3.47Å; P20-K24 VanDerWaalsContact O-CB 3.28Å; P20-K24 WeakPolarHBondContact O-CB 3.41Å; P20-K24 PolarHBondContact O-N 3.14Å |
| 21 | D | 95.8 | Very high | 91.8 | Very high | 102 Ų | 102 | 90.4 Ų | 90.4 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -73.6 | -35.3 | -178.3 | -76.2 | -35.3 | 0 | 0 | 0 | 112.4 | E18 L19 K24 S25 | E18-D21 PolarHBondContact O-N 3.46Å; L19-D21 VanDerWaalsContact C-N 3.32Å; L19-D21 PolarHBondContact O-N 3.37Å; D21-K24 PolarHBondContact O-N 2.9Å; D21-S25 WeakPolarHBondContact O-CB 3.48Å; D21-S25 PolarHBondContact O-N 2.76Å; D21-S25 PolarHBondContact O-OG 3.45Å |
| 22 | I | 95.8 | Very high | 92.9 | Very high | 68 Ų | 68 | 86 Ų | 86 | 35% | 0.349 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.9 | -50.8 | 172.2 | -66.9 | 168.8 | 0 | 0 | 0 | 110 | E18 L19 K24 S25 F26 F46 | E18-I22 HydrophobicContact CB-CD1 4.19Å; E18-I22 WeakPolarHBondContact O-CG1 3.45Å; E18-I22 PolarHBondContact O-N 3.47Å; E18-I22 VanDerWaalsContact O-N 3.11Å; L19-I22 PolarHBondContact O-N 3.13Å; I22-K24 VanDerWaalsContact C-N 3.33Å; I22-K24 PolarHBondContact O-N 3.32Å; I22-S25 PolarHBondContact O-N 2.85Å; I22-F26 WeakPolarHBondContact O-CB 3.44Å; I22-F26 PolarHBondContact O-N 3.35Å; I22-F46 HydrophobicContact CG2-CE1 3.72Å; I22-F46 HydrophobicContact CG2-CZ 4.31Å |
| 23 | L | 96.8 | Very high | 93.5 | Very high | 87 Ų | 87 | 79.6 Ų | 79.6 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.1 | -39 | 179.7 | -67.8 | 177.3 | 0 | 0 | 0 | 112.1 | L19 P20 T27 | L19-L23 HydrophobicContact CD1-CD1 4.11Å; L19-L23 HydrophobicContact CD1-CG 4.06Å; L19-L23 HydrophobicContact CG-CD1 4.03Å; L19-L23 HydrophobicContact CG-CG 4.38Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.48Å; P20-L23 PolarHBondContact O-N 3.47Å; L23-T27 WeakPolarHBondContact O-CB 3.31Å; L23-T27 PolarHBondContact O-N 3.43Å; L23-T27 PolarHBondContact O-OG1 3.5Å |
| 24 | K | 96.7 | Very high | 94 | Very high | 117 Ų | 117 | 80.6 Ų | 80.6 | 51% | 0.509 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 175.2 | -177.7 | 179.4 | -179.1 | -178.8 | 0 | 111.7 | P20 D21 I22 T27 K28 | P20-K24 VanDerWaalsContact O-CB 3.28Å; P20-K24 WeakPolarHBondContact O-CB 3.41Å; P20-K24 PolarHBondContact O-N 3.14Å; D21-K24 PolarHBondContact O-N 2.9Å; I22-K24 VanDerWaalsContact C-N 3.33Å; I22-K24 PolarHBondContact O-N 3.32Å; K24-T27 PolarHBondContact O-N 2.92Å; K24-K28 WeakPolarHBondContact O-CG 3.41Å; K24-K28 PolarHBondContact O-N 3.43Å |
| 25 | S | 96.6 | Very high | 94.4 | Very high | 62 Ų | 62 | 74.5 Ų | 74.5 | 43% | 0.434 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | 179 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | D21 I22 T27 K28 A29 | D21-S25 WeakPolarHBondContact O-CB 3.48Å; D21-S25 PolarHBondContact O-N 2.76Å; D21-S25 PolarHBondContact O-OG 3.45Å; I22-S25 PolarHBondContact O-N 2.85Å; S25-T27 PolarHBondContact O-N 3.04Å; S25-K28 PolarHBondContact O-N 3.28Å; S25-A29 VanDerWaalsContact O-CB 3.31Å; S25-A29 WeakPolarHBondContact O-CB 3.49Å; S25-A29 PolarHBondContact O-N 2.9Å |
| 26 | F | 97.3 | Very high | 94.5 | Very high | 32 Ų | 32 | 75.7 Ų | 75.7 | 14% | 0.14 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -56.8 | -49.1 | 172.8 | 169.8 | -99.6 | 0 | 0 | 0 | 111.8 | I22 K28 A29 A30 L38 W41 C42 Y45 F46 | I22-F26 WeakPolarHBondContact O-CB 3.44Å; I22-F26 PolarHBondContact O-N 3.35Å; F26-K28 PolarHBondContact O-N 3.06Å; F26-A29 WeakPolarHBondContact O-CB 3.33Å; F26-A29 PolarHBondContact O-N 3.22Å; F26-A29 VanDerWaalsContact O-N 3.15Å; F26-A30 PolarHBondContact O-N 3.33Å; F26-L38 HydrophobicContact CZ-CD1 4.18Å; F26-W41 AromaticContact CD2-CZ3 3.93Å; F26-W41 HydrophobicContact CD2-CZ3 3.93Å; F26-W41 HydrophobicContact CE2-CE3 4.04Å; F26-W41 HydrophobicContact CE2-CH2 4.48Å; F26-W41 AromaticContact CE2-CZ3 3.48Å; F26-W41 HydrophobicContact CE2-CZ3 3.48Å; F26-W41 VanDerWaalsContact CE2-CZ3 3.48Å; F26-W41 HydrophobicContact CZ-CZ3 4.15Å; F26-C42 HydrophobicContact CE2-CB 3.88Å; F26-C42 HydrophobicContact CZ-CB 4Å; F26-Y45 HydrophobicContact CB-CE1 4.1Å; F26-Y45 AromaticContact CD2-CD1 3.72Å; F26-Y45 HydrophobicContact CD2-CD1 3.72Å; F26-Y45 AromaticContact CD2-CE1 3.95Å; F26-Y45 HydrophobicContact CD2-CE1 3.95Å; F26-Y45 HydrophobicContact CD2-CG 4.22Å; F26-Y45 HydrophobicContact CE2-CD1 4.46Å; F26-F46 HydrophobicContact CB-CZ 4.12Å; F26-F46 HydrophobicContact CD2-CD2 4.49Å; F26-F46 AromaticContact CD2-CE2 3.63Å; F26-F46 HydrophobicContact CD2-CE2 3.63Å; F26-F46 AromaticContact CD2-CZ 3.88Å; F26-F46 HydrophobicContact CD2-CZ 3.88Å; F26-F46 AromaticContact CE2-CE2 3.89Å; F26-F46 HydrophobicContact CE2-CE2 3.89Å; F26-F46 HydrophobicContact CG-CE2 4.15Å; F26-F46 HydrophobicContact CG-CZ 4.03Å |
| 27 | T | 96.9 | Very high | 94.5 | Very high | 72 Ų | 72 | 76 Ų | 76 | 44% | 0.442 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | -178.1 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | L23 K24 S25 A29 A30 I31 | L23-T27 WeakPolarHBondContact O-CB 3.31Å; L23-T27 PolarHBondContact O-N 3.43Å; L23-T27 PolarHBondContact O-OG1 3.5Å; K24-T27 PolarHBondContact O-N 2.92Å; S25-T27 PolarHBondContact O-N 3.04Å; T27-A29 VanDerWaalsContact C-N 3.31Å; T27-A29 PolarHBondContact O-N 3.35Å; T27-A30 PolarHBondContact O-N 3.1Å; T27-I31 HydrophobicContact CG2-CD1 4.02Å; T27-I31 VanDerWaalsContact O-CG1 3.27Å; T27-I31 WeakPolarHBondContact O-CG1 3.44Å; T27-I31 PolarHBondContact O-N 3.33Å |
| 28 | K | 96.4 | Very high | 94.6 | Very high | 125 Ų | 125 | 75.4 Ų | 75.4 | 54% | 0.543 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 174.6 | -74.6 | 178 | 176.4 | -171.6 | 0 | 112.1 | K24 S25 F26 I31 R32 | K24-K28 WeakPolarHBondContact O-CG 3.41Å; K24-K28 PolarHBondContact O-N 3.43Å; S25-K28 PolarHBondContact O-N 3.28Å; F26-K28 PolarHBondContact O-N 3.06Å; K28-I31 PolarHBondContact O-N 2.87Å; K28-R32 WeakPolarHBondContact O-CG 3.39Å; K28-R32 PolarHBondContact O-N 3.28Å |
| 29 | A | 95.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 76.7 Ų | 76.7 | 5% | 0.05 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | S25 F26 T27 R32 T33 W41 Y45 V57 | S25-A29 VanDerWaalsContact O-CB 3.31Å; S25-A29 WeakPolarHBondContact O-CB 3.49Å; S25-A29 PolarHBondContact O-N 2.9Å; F26-A29 WeakPolarHBondContact O-CB 3.33Å; F26-A29 PolarHBondContact O-N 3.22Å; F26-A29 VanDerWaalsContact O-N 3.15Å; T27-A29 VanDerWaalsContact C-N 3.31Å; T27-A29 PolarHBondContact O-N 3.35Å; A29-R32 PolarHBondContact O-N 3.38Å; A29-T33 VanDerWaalsContact O-CB 3.29Å; A29-T33 WeakPolarHBondContact O-CB 3.38Å; A29-T33 PolarHBondContact O-N 2.92Å; A29-T33 PolarHBondContact O-OG1 3.07Å; A29-W41 HydrophobicContact CB-CH2 3.73Å; A29-W41 HydrophobicContact CB-CZ2 4.26Å; A29-Y45 HydrophobicContact CB-CD2 4.39Å; A29-Y45 HydrophobicContact CB-CE2 3.73Å; A29-V57 HydrophobicContact CB-CB 4.34Å; A29-V57 HydrophobicContact CB-CG1 3.55Å; A29-V57 HydrophobicContact CB-CG2 3.75Å |
| 30 | A | 95.2 | Very high | 94.7 | Very high | 16 Ų | 16 | 77.5 Ų | 77.5 | 13% | 0.132 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F26 T27 R32 T33 Q34 L38 W41 | F26-A30 PolarHBondContact O-N 3.33Å; T27-A30 PolarHBondContact O-N 3.1Å; A30-R32 VanDerWaalsContact C-N 3.32Å; A30-R32 PolarHBondContact O-N 2.88Å; A30-T33 PolarHBondContact O-N 3.24Å; A30-Q34 PolarHBondContact O-N 2.9Å; A30-L38 HydrophobicContact CB-CD1 4Å; A30-W41 HydrophobicContact CB-CH2 4.11Å; A30-W41 HydrophobicContact CB-CZ3 3.73Å |
| 31 | I | 93.9 | Very high | 94.8 | Very high | 97 Ų | 97 | 74 Ų | 74 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 177 | -69.4 | 165.4 | 0 | 0 | 0 | 111.3 | T27 K28 Q34 | T27-I31 HydrophobicContact CG2-CD1 4.02Å; T27-I31 VanDerWaalsContact O-CG1 3.27Å; T27-I31 WeakPolarHBondContact O-CG1 3.44Å; T27-I31 PolarHBondContact O-N 3.33Å; K28-I31 PolarHBondContact O-N 2.87Å; I31-Q34 PolarHBondContact O-NE2 3.06Å |
| 32 | R | 92.8 | Very high | 94.9 | Very high | 100 Ų | 100 | 70.7 Ų | 70.7 | 38% | 0.377 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.5 | -39.7 | 178.6 | -76.3 | 163.8 | 53.6 | 155.7 | -21.8 | 112.3 | K28 A29 A30 K58 E59 | K28-R32 WeakPolarHBondContact O-CG 3.39Å; K28-R32 PolarHBondContact O-N 3.28Å; A29-R32 PolarHBondContact O-N 3.38Å; A30-R32 VanDerWaalsContact C-N 3.32Å; A30-R32 PolarHBondContact O-N 2.88Å; R32-K58 VanDerWaalsContact CZ-O 3.22Å; R32-K58 PolarHBondContact NE-O 3.14Å; R32-K58 PolarHBondContact NH2-O 2.9Å; R32-E59 PolarHBondContact NE-O 2.69Å; R32-E59 PolarHBondContact NH1-O 3.26Å; R32-E59 VanDerWaalsContact NH1-O 3.15Å; R32-E59 PolarHBondContact NH2-O 3.46Å |
| 33 | T | 92.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 71.5 Ų | 71.5 | 3% | 0.025 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -83.4 | -29.9 | -170.4 | -52.6 | 0 | 0 | 0 | 0 | 112.8 | A29 A30 W41 V57 K58 L78 | A29-T33 VanDerWaalsContact O-CB 3.29Å; A29-T33 WeakPolarHBondContact O-CB 3.38Å; A29-T33 PolarHBondContact O-N 2.92Å; A29-T33 PolarHBondContact O-OG1 3.07Å; A30-T33 PolarHBondContact O-N 3.24Å; T33-W41 HydrophobicContact CG2-CZ2 4.33Å; T33-V57 WeakPolarHBondContact OG1-CA 3.36Å; T33-K58 HydrophobicContact CG2-CG 4.29Å; T33-K58 PolarHBondContact OG1-N 2.7Å; T33-K58 VanDerWaalsContact OG1-N 3.09Å; T33-L78 HydrophobicContact CG2-CD2 4.35Å |
| 34 | Q | 91.8 | Very high | 94.9 | Very high | 117 Ų | 117 | 68.3 Ų | 68.3 | 55% | 0.547 | 35% | 0.354 | S | S | . | . | trans | 50 | 54.3 | -177.4 | -61.5 | -72.3 | -39.3 | 0 | 0 | 112.3 | A30 I31 L61 | A30-Q34 PolarHBondContact O-N 2.9Å; I31-Q34 PolarHBondContact O-NE2 3.06Å; Q34-L61 HydrophobicContact CG-CD1 3.52Å | ||
| 35 | P | 91.1 | Very high | 94.9 | Very high | 25 Ų | 25 | 63.3 Ų | 63.3 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | trans | -64.7 | 139.3 | -177.7 | 29.4 | -35.2 | 0 | 0 | 0 | 111.1 | D37 L38 W41 | P35-D37 VanDerWaalsContact C-N 3.29Å; P35-D37 PolarHBondContact O-N 3.18Å; P35-L38 HydrophobicContact CG-CD1 4.03Å; P35-W41 HydrophobicContact CB-CB 3.57Å; P35-W41 HydrophobicContact CB-CD2 4.18Å; P35-W41 HydrophobicContact CB-CG 3.59Å; P35-W41 HydrophobicContact CG-CB 3.95Å; P35-W41 HydrophobicContact CG-CD2 3.9Å; P35-W41 HydrophobicContact CG-CE3 4.11Å; P35-W41 HydrophobicContact CG-CG 3.83Å | ||
| 36 | K | 89.9 | Confident | 94.9 | Very high | 131 Ų | 131 | 63.9 Ų | 63.9 | 57% | 0.57 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -62.2 | -37.6 | 175.7 | -68.7 | -171.2 | 177.8 | -170.3 | 0 | 111.8 | D71 C105 | K36-D71 IonicContact NZ-OD1 3.89Å; K36-D71 PolarHBondContact NZ-OD1 2.94Å; K36-D71 IonicContact NZ-OD2 3.4Å; K36-C105 HydrophobicContact CB-CB 4.34Å |
| 37 | D | 93.6 | Very high | 94.9 | Very high | 71 Ų | 71 | 67.3 Ų | 67.3 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | trans | -120.7 | 107.1 | 173.3 | -176.4 | -26.6 | 0 | 0 | 0 | 109.7 | P35 L39 Q40 W41 C105 | P35-D37 VanDerWaalsContact C-N 3.29Å; P35-D37 PolarHBondContact O-N 3.18Å; D37-L39 PolarHBondContact OD1-N 3.26Å; D37-Q40 HydrophobicContact CB-CB 4.07Å; D37-Q40 PolarHBondContact OD1-N 2.84Å; D37-W41 VanDerWaalsContact O-CB 3.25Å; D37-W41 WeakPolarHBondContact O-CB 3.39Å; D37-W41 PolarHBondContact O-N 3.21Å; D37-W41 VanDerWaalsContact O-N 3.12Å; D37-C105 HydrophobicContact CB-CB 4.45Å; D37-C105 PolarHBondContact O-SG 3.09Å | ||
| 38 | L | 94.7 | Very high | 94.8 | Very high | 93 Ų | 93 | 64 Ų | 64 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.5 | -33.2 | -178.7 | -177.5 | 62.8 | 0 | 0 | 0 | 112.6 | F26 A30 P35 W41 C42 | F26-L38 HydrophobicContact CZ-CD1 4.18Å; A30-L38 HydrophobicContact CB-CD1 4Å; P35-L38 HydrophobicContact CG-CD1 4.03Å; L38-W41 HydrophobicContact CD1-CE3 4.04Å; L38-W41 HydrophobicContact CD1-CZ3 4.44Å; L38-C42 WeakPolarHBondContact O-CB 3.43Å; L38-C42 PolarHBondContact O-N 3.45Å |
| 39 | L | 95.7 | Very high | 94.7 | Very high | 142 Ų | 142 | 61.8 Ų | 61.8 | 74% | 0.743 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -73.3 | -45.8 | -176.2 | -177.2 | 63 | 0 | 0 | 0 | 110.7 | D37 C42 S43 | D37-L39 PolarHBondContact OD1-N 3.26Å; L39-C42 WeakPolarHBondContact O-CB 3.38Å; L39-C42 PolarHBondContact O-N 3.11Å; L39-S43 PolarHBondContact O-N 2.98Å; L39-S43 VanDerWaalsContact O-N 3.08Å |
| 40 | Q | 94.7 | Very high | 94.7 | Very high | 88 Ų | 88 | 65.8 Ų | 65.8 | 41% | 0.411 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.5 | -48 | 174.1 | -179.8 | 171.2 | -67.1 | 0 | 0 | 111.1 | D37 C42 S43 A44 K102 | D37-Q40 HydrophobicContact CB-CB 4.07Å; D37-Q40 PolarHBondContact OD1-N 2.84Å; Q40-C42 VanDerWaalsContact C-N 3.33Å; Q40-C42 PolarHBondContact O-N 3.29Å; Q40-S43 WeakPolarHBondContact O-CB 3.47Å; Q40-S43 PolarHBondContact O-N 3.43Å; Q40-A44 PolarHBondContact O-N 3.43Å; Q40-A44 VanDerWaalsContact O-N 3.15Å; Q40-K102 PolarHBondContact NE2-O 3.23Å |
| 41 | W | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 178 | -178.7 | 83.7 | 0 | 0 | 0 | 112.3 | F26 A29 A30 T33 P35 D37 L38 S43 A44 Y45 P56 V57 | F26-W41 AromaticContact CD2-CZ3 3.93Å; F26-W41 HydrophobicContact CD2-CZ3 3.93Å; F26-W41 HydrophobicContact CE2-CE3 4.04Å; F26-W41 HydrophobicContact CE2-CH2 4.48Å; F26-W41 AromaticContact CE2-CZ3 3.48Å; F26-W41 HydrophobicContact CE2-CZ3 3.48Å; F26-W41 VanDerWaalsContact CE2-CZ3 3.48Å; F26-W41 HydrophobicContact CZ-CZ3 4.15Å; A29-W41 HydrophobicContact CB-CH2 3.73Å; A29-W41 HydrophobicContact CB-CZ2 4.26Å; A30-W41 HydrophobicContact CB-CH2 4.11Å; A30-W41 HydrophobicContact CB-CZ3 3.73Å; T33-W41 HydrophobicContact CG2-CZ2 4.33Å; P35-W41 HydrophobicContact CB-CB 3.57Å; P35-W41 HydrophobicContact CB-CD2 4.18Å; P35-W41 HydrophobicContact CB-CG 3.59Å; P35-W41 HydrophobicContact CG-CB 3.95Å; P35-W41 HydrophobicContact CG-CD2 3.9Å; P35-W41 HydrophobicContact CG-CE3 4.11Å; P35-W41 HydrophobicContact CG-CG 3.83Å; D37-W41 VanDerWaalsContact O-CB 3.25Å; D37-W41 WeakPolarHBondContact O-CB 3.39Å; D37-W41 PolarHBondContact O-N 3.21Å; D37-W41 VanDerWaalsContact O-N 3.12Å; L38-W41 HydrophobicContact CD1-CE3 4.04Å; L38-W41 HydrophobicContact CD1-CZ3 4.44Å; W41-S43 PolarHBondContact O-N 2.77Å; W41-A44 PolarHBondContact O-N 2.94Å; W41-Y45 AromaticContact CH2-CD2 3.73Å; W41-Y45 HydrophobicContact CH2-CD2 3.73Å; W41-Y45 HydrophobicContact CH2-CE2 4.33Å; W41-Y45 HydrophobicContact CH2-CG 4.18Å; W41-Y45 AromaticContact CZ2-CD2 3.93Å; W41-Y45 HydrophobicContact CZ2-CD2 3.93Å; W41-Y45 HydrophobicContact CZ3-CD2 4.42Å; W41-Y45 HydrophobicContact CZ3-CG 4.43Å; W41-Y45 WeakPolarHBondContact O-CB 3.42Å; W41-Y45 PolarHBondContact O-N 3.48Å; W41-P56 PolarHBondContact NE1-O 3.08Å; W41-V57 HydrophobicContact CZ2-CG2 4.06Å |
| 42 | C | 96.8 | Very high | 94.6 | Very high | 31 Ų | 31 | 69.6 Ų | 69.6 | 21% | 0.209 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 176.1 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | F26 L38 L39 Q40 A44 Y45 F46 | F26-C42 HydrophobicContact CE2-CB 3.88Å; F26-C42 HydrophobicContact CZ-CB 4Å; L38-C42 WeakPolarHBondContact O-CB 3.43Å; L38-C42 PolarHBondContact O-N 3.45Å; L39-C42 WeakPolarHBondContact O-CB 3.38Å; L39-C42 PolarHBondContact O-N 3.11Å; Q40-C42 VanDerWaalsContact C-N 3.33Å; Q40-C42 PolarHBondContact O-N 3.29Å; C42-A44 VanDerWaalsContact C-N 3.34Å; C42-A44 PolarHBondContact O-N 2.83Å; C42-Y45 PolarHBondContact O-N 3.32Å; C42-F46 WeakPolarHBondContact O-CD2 3.15Å; C42-F46 PolarHBondContact O-N 2.98Å; C42-F46 VanDerWaalsContact SG-CD2 3.57Å; C42-F46 VanDerWaalsContact SG-CE2 3.59Å |
| 43 | S | 96.4 | Very high | 94.6 | Very high | 85 Ų | 85 | 68.3 Ų | 68.3 | 59% | 0.594 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -56.7 | -48.3 | 174.3 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | L39 Q40 W41 Y45 H47 | L39-S43 PolarHBondContact O-N 2.98Å; L39-S43 VanDerWaalsContact O-N 3.08Å; Q40-S43 WeakPolarHBondContact O-CB 3.47Å; Q40-S43 PolarHBondContact O-N 3.43Å; W41-S43 PolarHBondContact O-N 2.77Å; S43-Y45 PolarHBondContact O-N 3.34Å; S43-H47 VanDerWaalsContact O-CB 3.24Å; S43-H47 WeakPolarHBondContact O-CB 3.14Å; S43-H47 PolarHBondContact O-N 2.95Å |
| 44 | A | 95.9 | Very high | 94.5 | Very high | 21 Ų | 21 | 71 Ų | 71 | 17% | 0.174 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64 | -40.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q40 W41 C42 A48 P56 A103 | Q40-A44 PolarHBondContact O-N 3.43Å; Q40-A44 VanDerWaalsContact O-N 3.15Å; W41-A44 PolarHBondContact O-N 2.94Å; C42-A44 VanDerWaalsContact C-N 3.34Å; C42-A44 PolarHBondContact O-N 2.83Å; A44-A48 WeakPolarHBondContact O-CB 3.37Å; A44-A48 PolarHBondContact O-N 2.94Å; A44-P56 HydrophobicContact CB-CG 4.37Å; A44-A103 HydrophobicContact CB-CB 3.59Å |
| 45 | Y | 97.4 | Very high | 94.7 | Very high | 11 Ų | 11 | 67.9 Ų | 67.9 | 4% | 0.043 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61 | -53.1 | 178.5 | 176.6 | -88.1 | 0 | 0 | 0 | 111.6 | F26 A29 W41 C42 S43 H47 A48 L49 L55 V57 | F26-Y45 HydrophobicContact CB-CE1 4.1Å; F26-Y45 AromaticContact CD2-CD1 3.72Å; F26-Y45 HydrophobicContact CD2-CD1 3.72Å; F26-Y45 AromaticContact CD2-CE1 3.95Å; F26-Y45 HydrophobicContact CD2-CE1 3.95Å; F26-Y45 HydrophobicContact CD2-CG 4.22Å; F26-Y45 HydrophobicContact CE2-CD1 4.46Å; A29-Y45 HydrophobicContact CB-CD2 4.39Å; A29-Y45 HydrophobicContact CB-CE2 3.73Å; W41-Y45 AromaticContact CH2-CD2 3.73Å; W41-Y45 HydrophobicContact CH2-CD2 3.73Å; W41-Y45 HydrophobicContact CH2-CE2 4.33Å; W41-Y45 HydrophobicContact CH2-CG 4.18Å; W41-Y45 AromaticContact CZ2-CD2 3.93Å; W41-Y45 HydrophobicContact CZ2-CD2 3.93Å; W41-Y45 HydrophobicContact CZ3-CD2 4.42Å; W41-Y45 HydrophobicContact CZ3-CG 4.43Å; W41-Y45 WeakPolarHBondContact O-CB 3.42Å; W41-Y45 PolarHBondContact O-N 3.48Å; C42-Y45 PolarHBondContact O-N 3.32Å; S43-Y45 PolarHBondContact O-N 3.34Å; Y45-H47 VanDerWaalsContact C-N 3.35Å; Y45-H47 PolarHBondContact O-N 3.35Å; Y45-A48 PolarHBondContact O-N 3.38Å; Y45-L49 HydrophobicContact CE1-CD2 4.19Å; Y45-L49 WeakPolarHBondContact O-CB 3.38Å; Y45-L49 PolarHBondContact O-N 3.35Å; Y45-L55 HydrophobicContact CE2-CB 4.47Å; Y45-L55 HydrophobicContact CE2-CD1 3.83Å; Y45-V57 HydrophobicContact CD2-CG2 3.72Å; Y45-V57 HydrophobicContact CE2-CG2 3.62Å |
| 46 | F | 97.4 | Very high | 94.8 | Very high | 74 Ų | 74 | 66.8 Ų | 66.8 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -70.8 | -31.8 | -178.1 | -77.4 | -67.9 | 0 | 0 | 0 | 112.5 | I22 F26 C42 L49 A50 | I22-F46 HydrophobicContact CG2-CE1 3.72Å; I22-F46 HydrophobicContact CG2-CZ 4.31Å; F26-F46 HydrophobicContact CB-CZ 4.12Å; F26-F46 HydrophobicContact CD2-CD2 4.49Å; F26-F46 AromaticContact CD2-CE2 3.63Å; F26-F46 HydrophobicContact CD2-CE2 3.63Å; F26-F46 AromaticContact CD2-CZ 3.88Å; F26-F46 HydrophobicContact CD2-CZ 3.88Å; F26-F46 AromaticContact CE2-CE2 3.89Å; F26-F46 HydrophobicContact CE2-CE2 3.89Å; F26-F46 HydrophobicContact CG-CE2 4.15Å; F26-F46 HydrophobicContact CG-CZ 4.03Å; C42-F46 WeakPolarHBondContact O-CD2 3.15Å; C42-F46 PolarHBondContact O-N 2.98Å; C42-F46 VanDerWaalsContact SG-CD2 3.57Å; C42-F46 VanDerWaalsContact SG-CE2 3.59Å; F46-L49 HydrophobicContact CD1-CD2 4.15Å; F46-L49 HydrophobicContact CE1-CD2 4.39Å; F46-L49 PolarHBondContact O-N 2.87Å; F46-A50 VanDerWaalsContact O-CB 3.3Å; F46-A50 WeakPolarHBondContact O-CB 3.3Å; F46-A50 PolarHBondContact O-N 2.99Å |
| 47 | H | 96.1 | Very high | 95 | Very high | 104 Ų | 104 | 61.9 Ų | 61.9 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 173.3 | -167.8 | 76.5 | 0 | 0 | 0 | 112 | S43 Y45 A50 K51 | S43-H47 VanDerWaalsContact O-CB 3.24Å; S43-H47 WeakPolarHBondContact O-CB 3.14Å; S43-H47 PolarHBondContact O-N 2.95Å; Y45-H47 VanDerWaalsContact C-N 3.35Å; Y45-H47 PolarHBondContact O-N 3.35Å; H47-A50 PolarHBondContact O-N 3.01Å; H47-K51 WeakPolarHBondContact NE2-CE 3.36Å; H47-K51 PolarHBondContact NE2-NZ 3.24Å; H47-K51 VanDerWaalsContact NE2-NZ 3.19Å; H47-K51 WeakPolarHBondContact O-CG 3.44Å; H47-K51 PolarHBondContact O-N 3.25Å |
| 48 | A | 95.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 59 Ų | 59 | 3% | 0.033 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A44 Y45 A50 K51 G52 E53 L55 | A44-A48 WeakPolarHBondContact O-CB 3.37Å; A44-A48 PolarHBondContact O-N 2.94Å; Y45-A48 PolarHBondContact O-N 3.38Å; A48-A50 PolarHBondContact O-N 3.14Å; A48-K51 PolarHBondContact O-N 3.02Å; A48-G52 PolarHBondContact O-N 2.9Å; A48-E53 HydrophobicContact CB-CB 4.19Å; A48-E53 PolarHBondContact O-N 3.3Å; A48-L55 HydrophobicContact CB-CD2 3.92Å |
| 49 | L | 95.4 | Very high | 94.4 | Very high | 77 Ų | 77 | 59 Ų | 59 | 40% | 0.403 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 177.5 | -176 | 65.2 | 0 | 0 | 0 | 112 | Y45 F46 K51 G52 L55 | Y45-L49 HydrophobicContact CE1-CD2 4.19Å; Y45-L49 WeakPolarHBondContact O-CB 3.38Å; Y45-L49 PolarHBondContact O-N 3.35Å; F46-L49 HydrophobicContact CD1-CD2 4.15Å; F46-L49 HydrophobicContact CE1-CD2 4.39Å; F46-L49 PolarHBondContact O-N 2.87Å; L49-K51 VanDerWaalsContact C-N 3.25Å; L49-K51 PolarHBondContact O-N 3.12Å; L49-G52 PolarHBondContact O-N 3.37Å; L49-L55 HydrophobicContact CB-CD2 3.86Å; L49-L55 HydrophobicContact CD1-CD2 4.27Å |
| 50 | A | 95.8 | Very high | 93.9 | Very high | 90 Ų | 90 | 58.4 Ų | 58.4 | 74% | 0.744 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.1 | -30.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | F46 H47 A48 | F46-A50 VanDerWaalsContact O-CB 3.3Å; F46-A50 WeakPolarHBondContact O-CB 3.3Å; F46-A50 PolarHBondContact O-N 2.99Å; H47-A50 PolarHBondContact O-N 3.01Å; A48-A50 PolarHBondContact O-N 3.14Å |
| 51 | K | 94.2 | Very high | 93.3 | Very high | 124 Ų | 124 | 58.6 Ų | 58.6 | 54% | 0.539 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -89.9 | -6.8 | 178.2 | -69.2 | -176.2 | 173.2 | -171 | 0 | 114.4 | H47 A48 L49 E53 | H47-K51 WeakPolarHBondContact NE2-CE 3.36Å; H47-K51 PolarHBondContact NE2-NZ 3.24Å; H47-K51 VanDerWaalsContact NE2-NZ 3.19Å; H47-K51 WeakPolarHBondContact O-CG 3.44Å; H47-K51 PolarHBondContact O-N 3.25Å; A48-K51 PolarHBondContact O-N 3.02Å; L49-K51 VanDerWaalsContact C-N 3.25Å; L49-K51 PolarHBondContact O-N 3.12Å; K51-E53 HydrophobicContact CB-CG 3.92Å; K51-E53 WeakPolarHBondContact CD-OE1 3.48Å; K51-E53 IonicContact NZ-OE1 2.83Å; K51-E53 PolarHBondContact O-N 2.99Å |
| 52 | G | 92.2 | Very high | 92.5 | Very high | 70 Ų | 70 | 60.3 Ų | 60.3 | 72% | 0.722 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 23.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A48 L49 | A48-G52 PolarHBondContact O-N 2.9Å; L49-G52 PolarHBondContact O-N 3.37Å |
| 53 | E | 91.9 | Very high | 91.3 | Very high | 73 Ų | 73 | 67.2 Ų | 67.2 | 34% | 0.341 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 163.1 | 176.3 | -69.1 | 179.8 | -157.9 | 0 | 0 | 111.4 | A48 K51 L55 K100 | A48-E53 HydrophobicContact CB-CB 4.19Å; A48-E53 PolarHBondContact O-N 3.3Å; K51-E53 HydrophobicContact CB-CG 3.92Å; K51-E53 WeakPolarHBondContact CD-OE1 3.48Å; K51-E53 IonicContact NZ-OE1 2.83Å; K51-E53 PolarHBondContact O-N 2.99Å; E53-L55 PolarHBondContact O-N 3.08Å; E53-K100 IonicContact OE2-NZ 3.97Å; E53-K100 PolarHBondContact OE2-NZ 3.47Å |
| 54 | C | 91.9 | Very high | 89.5 | Confident | 61 Ų | 61 | 68.7 Ų | 68.7 | 41% | 0.412 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 122 | 172.3 | -171.7 | 0 | 0 | 0 | 0 | 110.3 | Q85 | C54-Q85 HydrophobicContact CB-CG 4.01Å; C54-Q85 PolarHBondContact O-NE2 3.02Å |
| 55 | L | 94.4 | Very high | 87.5 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 27% | 0.267 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -70 | 146.3 | -173.7 | -56.3 | 177.5 | 0 | 0 | 0 | 111.7 | Y45 A48 L49 E53 V57 | Y45-L55 HydrophobicContact CE2-CB 4.47Å; Y45-L55 HydrophobicContact CE2-CD1 3.83Å; A48-L55 HydrophobicContact CB-CD2 3.92Å; L49-L55 HydrophobicContact CB-CD2 3.86Å; L49-L55 HydrophobicContact CD1-CD2 4.27Å; E53-L55 PolarHBondContact O-N 3.08Å; L55-V57 HydrophobicContact CB-CB 4.41Å; L55-V57 HydrophobicContact CB-CG2 3.61Å; L55-V57 HydrophobicContact CD1-CG2 4.47Å; L55-V57 PolarHBondContact O-N 3.44Å |
| 56 | P | 93.8 | Very high | 85.1 | Confident | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.013 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -76.2 | 56.4 | 177.8 | 33.1 | -36.3 | 0 | 0 | 0 | 111.9 | W41 A44 L104 | W41-P56 PolarHBondContact NE1-O 3.08Å; A44-P56 HydrophobicContact CB-CG 4.37Å; P56-L104 HydrophobicContact CB-CD2 3.67Å |
| 57 | V | 94.1 | Very high | 82.5 | Confident | 28 Ų | 28 | 78.8 Ų | 78.8 | 17% | 0.17 | 45% | 0.447 | C | S | . | . | trans | -124 | 129.1 | -168.3 | -174.8 | 0 | 0 | 0 | 0 | 111 | A29 T33 W41 Y45 L55 I81 | A29-V57 HydrophobicContact CB-CB 4.34Å; A29-V57 HydrophobicContact CB-CG1 3.55Å; A29-V57 HydrophobicContact CB-CG2 3.75Å; T33-V57 WeakPolarHBondContact OG1-CA 3.36Å; W41-V57 HydrophobicContact CZ2-CG2 4.06Å; Y45-V57 HydrophobicContact CD2-CG2 3.72Å; Y45-V57 HydrophobicContact CE2-CG2 3.62Å; L55-V57 HydrophobicContact CB-CB 4.41Å; L55-V57 HydrophobicContact CB-CG2 3.61Å; L55-V57 HydrophobicContact CD1-CG2 4.47Å; L55-V57 PolarHBondContact O-N 3.44Å; V57-I81 VanDerWaalsContact C-CD1 3.4Å; V57-I81 WeakPolarHBondContact O-CG1 3.38Å | ||
| 58 | K | 90.8 | Very high | 80.1 | Confident | 9 Ų | 9 | 81.3 Ų | 81.3 | 4% | 0.039 | 46% | 0.46 | C | S | . | . | trans | -66.1 | 144.8 | 173.6 | -69.4 | -173.1 | -176.8 | -168.8 | 0 | 111.2 | R32 T33 R60 E62 T75 L78 I81 | R32-K58 VanDerWaalsContact CZ-O 3.22Å; R32-K58 PolarHBondContact NE-O 3.14Å; R32-K58 PolarHBondContact NH2-O 2.9Å; T33-K58 HydrophobicContact CG2-CG 4.29Å; T33-K58 PolarHBondContact OG1-N 2.7Å; T33-K58 VanDerWaalsContact OG1-N 3.09Å; K58-R60 VanDerWaalsContact C-N 3.26Å; K58-R60 WeakPolarHBondContact CB-O 3.38Å; K58-R60 PolarHBondContact O-N 3.37Å; K58-E62 IonicContact NZ-OE2 3.54Å; K58-E62 PolarHBondContact NZ-OE2 2.84Å; K58-T75 WeakPolarHBondContact CE-OG1 3.35Å; K58-T75 PolarHBondContact NZ-OG1 3.04Å; K58-L78 HydrophobicContact CD-CD2 4.46Å; K58-L78 HydrophobicContact CG-CD2 4.28Å; K58-I81 HydrophobicContact CB-CD1 4.44Å; K58-I81 HydrophobicContact CG-CD1 3.8Å | ||
| 59 | E | 85.5 | Confident | 77.8 | Confident | 93 Ų | 93 | 90.8 Ų | 90.8 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -65.8 | -29.1 | 174.3 | -72.1 | -174.1 | 152.8 | 0 | 0 | 113.4 | R32 K80 K84 | R32-E59 PolarHBondContact NE-O 2.69Å; R32-E59 PolarHBondContact NH1-O 3.26Å; R32-E59 VanDerWaalsContact NH1-O 3.15Å; R32-E59 PolarHBondContact NH2-O 3.46Å; E59-K80 WeakPolarHBondContact OE2-CE 3.4Å; E59-K80 IonicContact OE2-NZ 2.69Å; E59-K80 PolarHBondContact OE2-NZ 3.33Å; E59-K84 IonicContact OE1-NZ 3.32Å; E59-K84 PolarHBondContact OE1-NZ 3.44Å |
| 60 | R | 83.9 | Confident | 75.7 | Confident | 130 Ų | 130 | 92 Ų | 92 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -153.3 | 162.5 | -179.9 | 60 | -174.6 | -176.9 | 126.8 | 5.4 | 109.8 | K58 E157 | K58-R60 VanDerWaalsContact C-N 3.26Å; K58-R60 WeakPolarHBondContact CB-O 3.38Å; K58-R60 PolarHBondContact O-N 3.37Å; R60-E157 VanDerWaalsContact CD-OE1 3.29Å; R60-E157 WeakPolarHBondContact CD-OE1 3.49Å; R60-E157 IonicContact CZ-OE1 2.71Å; R60-E157 IonicContact NE-OE1 3.97Å; R60-E157 PolarHBondContact NE-OE1 3.27Å; R60-E157 IonicContact NE-OE2 3.9Å; R60-E157 IonicContact NH1-OE1 2.74Å; R60-E157 PolarHBondContact NH1-OE1 3.49Å; R60-E157 IonicContact NH2-OE1 2.55Å |
| 61 | L | 83.2 | Confident | 74.1 | Confident | 93 Ų | 93 | 94.2 Ų | 94.2 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | trans | -71.6 | 129.9 | 169.6 | 177.6 | 64.2 | 0 | 0 | 0 | 108.7 | Q34 | Q34-L61 HydrophobicContact CG-CD1 3.52Š| ||
| 62 | E | 80.9 | Confident | 72.9 | Confident | 35 Ų | 35 | 89.9 Ų | 89.9 | 16% | 0.164 | 49% | 0.494 | C | S | . | . | trans | -101 | 129.7 | 173 | -64.4 | 175.1 | 143.6 | 0 | 0 | 108.7 | K58 N64 T75 G77 | K58-E62 IonicContact NZ-OE2 3.54Å; K58-E62 PolarHBondContact NZ-OE2 2.84Å; E62-N64 PolarHBondContact O-N 3.37Å; E62-T75 VanDerWaalsContact OE2-CB 3.27Å; E62-T75 WeakPolarHBondContact OE2-CB 3.37Å; E62-T75 PolarHBondContact OE2-OG1 3.15Å; E62-G77 WeakPolarHBondContact OE1-CA 3.27Å; E62-G77 PolarHBondContact OE1-N 3.24Å; E62-G77 PolarHBondContact OE2-N 3.41Å | ||
| 63 | M | 69.9 | Low | 72.3 | Confident | 177 Ų | 177 | 87.3 Ų | 87.3 | 87% | 0.872 | 47% | 0.468 | S | S | * | . | trans | -73.5 | 106.1 | 164.6 | -76.5 | 168.6 | 151.3 | 0 | 0 | 106.7 | V65 | M63-V65 VanDerWaalsContact C-N 3.32Å; M63-V65 PolarHBondContact O-N 3.24Å | ||
| 64 | N | 59.4 | Low | 72.2 | Confident | 115 Ų | 115 | 84.3 Ų | 84.3 | 62% | 0.615 | 45% | 0.454 | S | S | * | . | trans | -62.6 | 98.6 | 171.9 | -65.4 | -18.6 | 0 | 0 | 0 | 107.4 | E62 A66 | E62-N64 PolarHBondContact O-N 3.37Å; N64-A66 PolarHBondContact O-N 2.84Å | ||
| 65 | V | 53.2 | Low | 72.2 | Confident | 109 Ų | 109 | 82 Ų | 82 | 66% | 0.661 | 44% | 0.438 | S | S | * | . | trans | -71.9 | 105.2 | 170.5 | -169.2 | 0 | 0 | 0 | 0 | 104.5 | M63 T67 | M63-V65 VanDerWaalsContact C-N 3.32Å; M63-V65 PolarHBondContact O-N 3.24Å; V65-T67 HydrophobicContact CG1-CG2 3.55Å; V65-T67 PolarHBondContact O-N 3.13Å; V65-T67 PolarHBondContact O-OG1 3.32Å | ||
| 66 | A | 47.9 | Very low | 72.1 | Confident | 105 Ų | 105 | 81.5 Ų | 81.5 | 87% | 0.868 | 44% | 0.437 | S | S | * | . | trans | -68.6 | 62.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | N64 | N64-A66 PolarHBondContact O-N 2.84Š| ||
| 67 | T | 43.3 | Very low | 72 | Confident | 104 Ų | 104 | 81.9 Ų | 81.9 | 64% | 0.638 | 44% | 0.442 | S | S | * | . | trans | -101.3 | 93.3 | 176 | 40.2 | 0 | 0 | 0 | 0 | 108.5 | V65 | V65-T67 HydrophobicContact CG1-CG2 3.55Å; V65-T67 PolarHBondContact O-N 3.13Å; V65-T67 PolarHBondContact O-OG1 3.32Å | ||
| 68 | Q | 44.9 | Very low | 72 | Confident | 158 Ų | 158 | 81.1 Ų | 81.1 | 74% | 0.738 | 44% | 0.437 | S | S | * | . | S | Bend | trans | 86 | 112.9 | 152.9 | -47.8 | -153.6 | 37.2 | 0 | 0 | 119.2 | T70 | Q68-T70 PolarHBondContact O-N 3.41Š|
| 69 | K | 47.3 | Very low | 72.2 | Confident | 202 Ų | 202 | 80.7 Ų | 80.7 | 88% | 0.878 | 44% | 0.435 | S | S | * | . | S | Bend | trans | 64.1 | -13.3 | 142.3 | -66.3 | -175.3 | 178.6 | 177.5 | 0 | 121.9 | ||
| 70 | T | 51.4 | Low | 72.6 | Confident | 102 Ų | 102 | 78.9 Ų | 78.9 | 63% | 0.626 | 43% | 0.426 | S | S | * | . | trans | -138.6 | 106.9 | 168.9 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | Q68 T72 | Q68-T70 PolarHBondContact O-N 3.41Å; T70-T72 PolarHBondContact O-N 3.02Å | ||
| 71 | D | 61.2 | Low | 73.1 | Confident | 138 Ų | 138 | 73.1 Ų | 73.1 | 74% | 0.738 | 40% | 0.404 | S | S | * | . | trans | -74 | 72.2 | 167.4 | 177.7 | 23.5 | 0 | 0 | 0 | 108.4 | K36 G73 | K36-D71 IonicContact NZ-OD1 3.89Å; K36-D71 PolarHBondContact NZ-OD1 2.94Å; K36-D71 IonicContact NZ-OD2 3.4Å; D71-G73 PolarHBondContact O-N 2.69Å; D71-G73 PolarHBondContact OD1-N 3.19Å | ||
| 72 | T | 69.2 | Low | 73.7 | Confident | 33 Ų | 33 | 68.7 Ų | 68.7 | 20% | 0.202 | 38% | 0.381 | C | S | . | . | trans | -65.7 | -23.8 | 174.3 | 59.8 | 0 | 0 | 0 | 0 | 110.7 | T70 L74 P107 Q110 | T70-T72 PolarHBondContact O-N 3.02Å; T72-L74 PolarHBondContact O-N 2.83Å; T72-P107 WeakPolarHBondContact O-CD 3.41Å; T72-Q110 PolarHBondContact O-OE1 3.03Å | ||
| 73 | G | 80.9 | Confident | 74.3 | Confident | 16 Ų | 16 | 68.5 Ų | 68.5 | 17% | 0.165 | 38% | 0.38 | C | S | . | . | trans | 71.1 | -12 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | D71 L78 L106 | D71-G73 PolarHBondContact O-N 2.69Å; D71-G73 PolarHBondContact OD1-N 3.19Å; G73-L78 WeakPolarHBondContact O-CD1 3.49Å; G73-L106 WeakPolarHBondContact O-CD2 3.39Å | ||
| 74 | L | 89.7 | Confident | 75.4 | Confident | 9 Ų | 9 | 64.3 Ų | 64.3 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | trans | -72.9 | 134 | 170.6 | -173.2 | 67.5 | 0 | 0 | 0 | 109.3 | T72 L78 L79 W101 L106 L137 | T72-L74 PolarHBondContact O-N 2.83Å; L74-L78 HydrophobicContact CD1-CB 4.31Å; L74-L79 HydrophobicContact CD1-CB 4.3Å; L74-W101 HydrophobicContact CD1-CH2 4Å; L74-W101 HydrophobicContact CD1-CZ3 4.27Å; L74-W101 HydrophobicContact CD2-CH2 4.2Å; L74-L106 HydrophobicContact CB-CD2 4.28Å; L74-L106 HydrophobicContact CD1-CD1 3.83Å; L74-L106 HydrophobicContact CD1-CD2 4.17Å; L74-L137 HydrophobicContact CB-CD2 4.36Å; L74-L137 HydrophobicContact CD2-CD2 4.3Å; L74-L137 HydrophobicContact CD2-CG 4.22Å; L74-L137 HydrophobicContact CG-CD2 4.07Å; L74-L137 HydrophobicContact CG-CG 4.46Å; L74-L137 WeakPolarHBondContact O-CD2 3.4Å | ||
| 75 | T | 91.4 | Very high | 76.9 | Confident | 14 Ų | 14 | 60 Ų | 60 | 9% | 0.086 | 33% | 0.333 | C | S | . | . | trans | -126.3 | 159.7 | 173.3 | 78.5 | 0 | 0 | 0 | 0 | 109.6 | K58 E62 G77 L78 L79 | K58-T75 WeakPolarHBondContact CE-OG1 3.35Å; K58-T75 PolarHBondContact NZ-OG1 3.04Å; E62-T75 VanDerWaalsContact OE2-CB 3.27Å; E62-T75 WeakPolarHBondContact OE2-CB 3.37Å; E62-T75 PolarHBondContact OE2-OG1 3.15Å; T75-G77 PolarHBondContact O-N 3.13Å; T75-L78 HydrophobicContact CG2-CD1 4.43Å; T75-L78 PolarHBondContact O-N 3.47Å; T75-L78 PolarHBondContact OG1-N 2.92Å; T75-L79 PolarHBondContact O-N 3.09Å | ||
| 76 | P | 91.7 | Very high | 78.7 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 25% | 0.253 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -53 | -41 | 176.1 | -26.1 | 34.7 | 0 | 0 | 0 | 112.5 | L78 L79 K80 L137 I151 | P76-L78 PolarHBondContact O-N 3.21Å; P76-L79 PolarHBondContact O-N 3.49Å; P76-K80 WeakPolarHBondContact O-CB 3.35Å; P76-K80 PolarHBondContact O-N 3.4Å; P76-L137 HydrophobicContact CB-CD1 4.44Å; P76-L137 HydrophobicContact CG-CD1 4.16Å; P76-I151 HydrophobicContact CB-CD1 4.27Å; P76-I151 HydrophobicContact CB-CG1 4.4Å |
| 77 | G | 91.9 | Very high | 80.5 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E62 T75 I81 | E62-G77 WeakPolarHBondContact OE1-CA 3.27Å; E62-G77 PolarHBondContact OE1-N 3.24Å; E62-G77 PolarHBondContact OE2-N 3.41Å; T75-G77 PolarHBondContact O-N 3.13Å; G77-I81 VanDerWaalsContact O-CG1 3.3Å; G77-I81 WeakPolarHBondContact O-CG1 3.39Å; G77-I81 PolarHBondContact O-N 3.27Å; G77-I81 VanDerWaalsContact O-N 3.14Å |
| 78 | L | 93.8 | Very high | 82.4 | Confident | 13 Ų | 13 | 52.3 Ų | 52.3 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.7 | -41.8 | 173.4 | -65.6 | -179.4 | 0 | 0 | 0 | 111.2 | T33 K58 G73 L74 T75 P76 K80 I81 L82 L104 L106 | T33-L78 HydrophobicContact CG2-CD2 4.35Å; K58-L78 HydrophobicContact CD-CD2 4.46Å; K58-L78 HydrophobicContact CG-CD2 4.28Å; G73-L78 WeakPolarHBondContact O-CD1 3.49Å; L74-L78 HydrophobicContact CD1-CB 4.31Å; T75-L78 HydrophobicContact CG2-CD1 4.43Å; T75-L78 PolarHBondContact O-N 3.47Å; T75-L78 PolarHBondContact OG1-N 2.92Å; P76-L78 PolarHBondContact O-N 3.21Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 PolarHBondContact O-N 3.33Å; L78-I81 HydrophobicContact CD2-CD1 4.06Å; L78-I81 WeakPolarHBondContact O-CB 3.33Å; L78-I81 PolarHBondContact O-N 3.44Å; L78-I81 VanDerWaalsContact O-N 3.16Å; L78-L82 PolarHBondContact O-N 3.38Å; L78-L82 VanDerWaalsContact O-N 3.08Å; L78-L104 HydrophobicContact CB-CD1 4.3Å; L78-L104 HydrophobicContact CD2-CB 4.42Å; L78-L104 HydrophobicContact CD2-CD1 4.41Å; L78-L104 HydrophobicContact CD2-CD2 4.22Å; L78-L106 HydrophobicContact CD1-CD2 3.65Å; L78-L106 HydrophobicContact CD1-CG 4.37Å |
| 79 | L | 94.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.3 | -36.1 | 175.7 | -171.4 | 59.8 | 0 | 0 | 0 | 111.8 | L74 T75 P76 I81 L82 H83 F130 L137 I151 | L74-L79 HydrophobicContact CD1-CB 4.3Å; T75-L79 PolarHBondContact O-N 3.09Å; P76-L79 PolarHBondContact O-N 3.49Å; L79-I81 VanDerWaalsContact C-N 3.35Å; L79-I81 PolarHBondContact O-N 2.8Å; L79-L82 HydrophobicContact CD1-CD1 4.34Å; L79-L82 PolarHBondContact O-N 2.9Å; L79-H83 WeakPolarHBondContact O-CB 3.45Å; L79-H83 PolarHBondContact O-N 2.9Å; L79-F130 HydrophobicContact CD1-CD2 4.11Å; L79-F130 HydrophobicContact CD2-CD2 4.21Å; L79-F130 HydrophobicContact CD2-CE2 4.02Å; L79-F130 HydrophobicContact CG-CD2 3.93Å; L79-F130 HydrophobicContact CG-CE2 3.85Å; L79-L137 HydrophobicContact CB-CD1 4.46Å; L79-L137 HydrophobicContact CD2-CD1 3.81Å; L79-I151 HydrophobicContact CB-CD1 4.13Å; L79-I151 HydrophobicContact CD2-CD1 3.84Å; L79-I151 HydrophobicContact CG-CD1 4.15Å |
| 80 | K | 94.4 | Very high | 85.3 | Confident | 55 Ų | 55 | 48 Ų | 48 | 24% | 0.239 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 172.3 | -170.6 | 171.3 | -166 | -174.7 | 0 | 112.5 | E59 P76 L78 H83 K84 I151 | E59-K80 WeakPolarHBondContact OE2-CE 3.4Å; E59-K80 IonicContact OE2-NZ 2.69Å; E59-K80 PolarHBondContact OE2-NZ 3.33Å; P76-K80 WeakPolarHBondContact O-CB 3.35Å; P76-K80 PolarHBondContact O-N 3.4Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 PolarHBondContact O-N 3.33Å; K80-H83 PolarHBondContact O-N 3.21Å; K80-K84 WeakPolarHBondContact O-CG 3.39Å; K80-K84 PolarHBondContact O-N 3.46Å; K80-I151 HydrophobicContact CB-CG2 3.78Å; K80-I151 HydrophobicContact CG-CG2 3.97Å |
| 81 | I | 94.4 | Very high | 87 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 174.2 | -66.2 | 162.5 | 0 | 0 | 0 | 110.3 | V57 K58 G77 L78 L79 H83 K84 Q85 L104 | V57-I81 VanDerWaalsContact C-CD1 3.4Å; V57-I81 WeakPolarHBondContact O-CG1 3.38Å; K58-I81 HydrophobicContact CB-CD1 4.44Å; K58-I81 HydrophobicContact CG-CD1 3.8Å; G77-I81 VanDerWaalsContact O-CG1 3.3Å; G77-I81 WeakPolarHBondContact O-CG1 3.39Å; G77-I81 PolarHBondContact O-N 3.27Å; G77-I81 VanDerWaalsContact O-N 3.14Å; L78-I81 HydrophobicContact CD2-CD1 4.06Å; L78-I81 WeakPolarHBondContact O-CB 3.33Å; L78-I81 PolarHBondContact O-N 3.44Å; L78-I81 VanDerWaalsContact O-N 3.16Å; L79-I81 VanDerWaalsContact C-N 3.35Å; L79-I81 PolarHBondContact O-N 2.8Å; I81-H83 VanDerWaalsContact C-N 3.27Å; I81-H83 PolarHBondContact O-N 2.82Å; I81-K84 PolarHBondContact O-N 3.42Å; I81-Q85 HydrophobicContact CG2-CG 4.39Å; I81-Q85 WeakPolarHBondContact O-CG 3.45Å; I81-Q85 PolarHBondContact O-N 3.12Å; I81-L104 HydrophobicContact CB-CD1 4.3Å; I81-L104 HydrophobicContact CD1-CD2 4.05Å; I81-L104 HydrophobicContact CG2-CD1 4.24Å; I81-L104 HydrophobicContact CG2-CD2 3.97Å |
| 82 | L | 95 | Very high | 88.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.2 | -44.4 | 177.2 | -65.8 | 172.4 | 0 | 0 | 0 | 110.7 | L78 L79 K84 Q85 L86 K100 W101 L104 L106 W126 | L78-L82 PolarHBondContact O-N 3.38Å; L78-L82 VanDerWaalsContact O-N 3.08Å; L79-L82 HydrophobicContact CD1-CD1 4.34Å; L79-L82 PolarHBondContact O-N 2.9Å; L82-K84 PolarHBondContact O-N 3.28Å; L82-Q85 PolarHBondContact O-N 3Å; L82-Q85 VanDerWaalsContact O-N 3.09Å; L82-L86 WeakPolarHBondContact O-CB 3.18Å; L82-L86 PolarHBondContact O-N 3.24Å; L82-K100 HydrophobicContact CD2-CB 3.78Å; L82-W101 HydrophobicContact CD1-CE3 3.54Å; L82-W101 HydrophobicContact CD1-CZ3 3.7Å; L82-L104 HydrophobicContact CD1-CD1 4.29Å; L82-L104 HydrophobicContact CD2-CD1 3.59Å; L82-L104 HydrophobicContact CG-CD1 3.58Å; L82-L106 HydrophobicContact CD1-CD1 4.27Å; L82-W126 VanDerWaalsContact C-CZ2 3.46Å; L82-W126 HydrophobicContact CB-CH2 3.57Å; L82-W126 HydrophobicContact CB-CZ2 3.94Å |
| 83 | H | 94.8 | Very high | 89.6 | Confident | 32 Ų | 32 | 40.6 Ų | 40.6 | 15% | 0.148 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | 176.7 | -176.1 | 82.2 | 0 | 0 | 0 | 111.3 | L79 K80 I81 Q85 L86 S87 W126 F130 L152 | L79-H83 WeakPolarHBondContact O-CB 3.45Å; L79-H83 PolarHBondContact O-N 2.9Å; K80-H83 PolarHBondContact O-N 3.21Å; I81-H83 VanDerWaalsContact C-N 3.27Å; I81-H83 PolarHBondContact O-N 2.82Å; H83-Q85 VanDerWaalsContact C-N 3.27Å; H83-Q85 PolarHBondContact O-N 3.17Å; H83-L86 PolarHBondContact O-N 3.45Å; H83-S87 VanDerWaalsContact CE1-CB 3.46Å; H83-S87 WeakPolarHBondContact CE1-CB 3.01Å; H83-S87 WeakPolarHBondContact O-CA 3.4Å; H83-S87 WeakPolarHBondContact O-CB 3.41Å; H83-S87 PolarHBondContact O-N 2.95Å; H83-S87 PolarHBondContact O-OG 2.91Å; H83-W126 VanDerWaalsContact CA-CZ2 3.43Å; H83-W126 HydrophobicContact CB-CZ2 4.14Å; H83-W126 AromaticContact CE1-NE1 3.98Å; H83-W126 AromaticContact CG-NE1 3.89Å; H83-W126 AromaticContact ND1-NE1 3.21Å; H83-W126 PolarHBondContact ND1-NE1 2.84Å; H83-F130 HydrophobicContact CB-CD2 4.2Å; H83-F130 HydrophobicContact CB-CE2 4.19Å; H83-L152 WeakPolarHBondContact CE1-CD2 3.37Å; H83-L152 WeakPolarHBondContact NE2-CD2 3.35Å |
| 84 | K | 92.4 | Very high | 90.2 | Very high | 88 Ų | 88 | 42.4 Ų | 42.4 | 38% | 0.383 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.3 | -31.9 | 176.8 | -71.5 | -177.2 | 176.8 | -157.1 | 0 | 114.3 | E59 K80 I81 L82 | E59-K84 IonicContact OE1-NZ 3.32Å; E59-K84 PolarHBondContact OE1-NZ 3.44Å; K80-K84 WeakPolarHBondContact O-CG 3.39Å; K80-K84 PolarHBondContact O-N 3.46Å; I81-K84 PolarHBondContact O-N 3.42Å; L82-K84 PolarHBondContact O-N 3.28Å |
| 85 | Q | 91.1 | Very high | 90.4 | Very high | 24 Ų | 24 | 47.5 Ų | 47.5 | 11% | 0.112 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -81.7 | -29.3 | -177.8 | -74 | 179.5 | -25.5 | 0 | 0 | 113 | C54 I81 L82 H83 K100 | C54-Q85 HydrophobicContact CB-CG 4.01Å; C54-Q85 PolarHBondContact O-NE2 3.02Å; I81-Q85 HydrophobicContact CG2-CG 4.39Å; I81-Q85 WeakPolarHBondContact O-CG 3.45Å; I81-Q85 PolarHBondContact O-N 3.12Å; L82-Q85 PolarHBondContact O-N 3Å; L82-Q85 VanDerWaalsContact O-N 3.09Å; H83-Q85 VanDerWaalsContact C-N 3.27Å; H83-Q85 PolarHBondContact O-N 3.17Å; Q85-K100 HydrophobicContact CB-CD 4.49Å |
| 86 | L | 91.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -115.4 | -25.2 | -169.1 | -65.7 | 169.4 | 0 | 0 | 0 | 113.3 | L82 H83 P88 K89 C92 D96 V97 K100 W126 | L82-L86 WeakPolarHBondContact O-CB 3.18Å; L82-L86 PolarHBondContact O-N 3.24Å; H83-L86 PolarHBondContact O-N 3.45Å; L86-P88 VanDerWaalsContact C-N 3.34Å; L86-K89 PolarHBondContact O-N 2.97Å; L86-C92 HydrophobicContact CD2-CB 4.43Å; L86-C92 PolarHBondContact O-SG 2.98Å; L86-D96 HydrophobicContact CD2-CB 4.35Å; L86-V97 HydrophobicContact CD1-CG2 4.2Å; L86-K100 HydrophobicContact CD1-CB 4.28Å; L86-K100 HydrophobicContact CD1-CG 4.39Å; L86-K100 HydrophobicContact CD2-CG 4.06Å; L86-K100 HydrophobicContact CG-CG 4.3Å; L86-W126 HydrophobicContact CB-CD2 3.6Å; L86-W126 HydrophobicContact CB-CE3 3.62Å; L86-W126 HydrophobicContact CB-CG 4.26Å; L86-W126 HydrophobicContact CB-CH2 4.22Å; L86-W126 HydrophobicContact CB-CZ2 4.16Å; L86-W126 HydrophobicContact CB-CZ3 3.94Å; L86-W126 HydrophobicContact CD1-CD2 4.47Å; L86-W126 HydrophobicContact CD1-CE3 3.7Å; L86-W126 HydrophobicContact CD1-CH2 3.67Å; L86-W126 HydrophobicContact CD1-CZ2 4.4Å; L86-W126 HydrophobicContact CD1-CZ3 3.23Å; L86-W126 HydrophobicContact CG-CE3 4.28Å; L86-W126 HydrophobicContact CG-CZ3 4.21Å |
| 87 | S | 86.7 | Confident | 90.6 | Very high | 48 Ų | 48 | 47.3 Ų | 47.3 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.7 | 178.7 | 74.4 | 0 | 0 | 0 | 0 | 116.7 | H83 K89 | H83-S87 VanDerWaalsContact CE1-CB 3.46Å; H83-S87 WeakPolarHBondContact CE1-CB 3.01Å; H83-S87 WeakPolarHBondContact O-CA 3.4Å; H83-S87 WeakPolarHBondContact O-CB 3.41Å; H83-S87 PolarHBondContact O-N 2.95Å; H83-S87 PolarHBondContact O-OG 2.91Å; S87-K89 PolarHBondContact O-N 3.5Å; S87-K89 VanDerWaalsContact O-N 3.14Å |
| 88 | P | 82.3 | Confident | 90.8 | Very high | 106 Ų | 106 | 48.8 Ų | 48.8 | 69% | 0.688 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17.5 | 172.4 | -24.3 | 35.6 | 0 | 0 | 0 | 113.3 | L86 | L86-P88 VanDerWaalsContact C-N 3.34Š|
| 89 | K | 76.4 | Confident | 90.8 | Very high | 100 Ų | 100 | 53.3 Ų | 53.3 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -106.9 | 118.5 | 174.4 | -52.5 | -178.4 | -174.7 | -175.6 | 0 | 108 | L86 S87 T91 D96 | L86-K89 PolarHBondContact O-N 2.97Å; S87-K89 PolarHBondContact O-N 3.5Å; S87-K89 VanDerWaalsContact O-N 3.14Å; K89-T91 WeakPolarHBondContact CB-O 3.45Å; K89-T91 PolarHBondContact O-N 3.5Å; K89-D96 IonicContact NZ-OD2 3.18Å; K89-D96 PolarHBondContact NZ-OD2 2.96Å |
| 90 | E | 76.2 | Confident | 90.8 | Very high | 171 Ų | 171 | 54.8 Ų | 54.8 | 80% | 0.799 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -58.4 | -41 | 176.7 | -172.6 | 173.2 | -169.8 | 0 | 0 | 111.3 | W126 | E90-W126 PolarHBondContact O-N 2.94Š|
| 91 | T | 87.1 | Confident | 90.9 | Very high | 76 Ų | 76 | 52.2 Ų | 52.2 | 47% | 0.466 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 138 | 170.3 | 58.6 | 0 | 0 | 0 | 0 | 110.9 | K89 I124 | K89-T91 WeakPolarHBondContact CB-O 3.45Å; K89-T91 PolarHBondContact O-N 3.5Å; T91-I124 WeakPolarHBondContact CA-O 3.46Å |
| 92 | C | 91.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.02 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 147.2 | 176.6 | -67.9 | 0 | 0 | 0 | 0 | 110.2 | L86 V97 I124 | L86-C92 HydrophobicContact CD2-CB 4.43Å; L86-C92 PolarHBondContact O-SG 2.98Å; C92-V97 HydrophobicContact CB-CG2 3.97Å; C92-I124 PolarHBondContact N-O 3.37Å; C92-I124 PolarHBondContact O-N 3.19Å |
| 93 | S | 93.8 | Very high | 90.8 | Very high | 38 Ų | 38 | 57.1 Ų | 57.1 | 27% | 0.266 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 151.9 | 171.4 | 83.2 | 0 | 0 | 0 | 0 | 110.8 | E95 D96 V97 S122 | S93-E95 VanDerWaalsContact CB-OE2 3.24Å; S93-E95 WeakPolarHBondContact CB-OE2 3.32Å; S93-E95 PolarHBondContact O-N 3.47Å; S93-E95 PolarHBondContact OG-OE2 3.28Å; S93-D96 PolarHBondContact O-N 3.39Å; S93-D96 VanDerWaalsContact O-N 3.14Å; S93-D96 PolarHBondContact OG-N 3.37Å; S93-V97 PolarHBondContact O-N 3.39Å; S93-V97 VanDerWaalsContact O-N 3.13Å; S93-S122 WeakPolarHBondContact CA-O 3.24Å |
| 94 | K | 93.6 | Very high | 90.8 | Very high | 53 Ų | 53 | 55.9 Ų | 55.9 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -54.3 | -38 | 174 | -179.2 | 168.8 | 175.3 | 160.2 | 0 | 111.8 | V97 Q98 E112 L115 S122 I124 | K94-V97 PolarHBondContact O-N 3.46Å; K94-Q98 HydrophobicContact CG-CG 4.29Å; K94-Q98 WeakPolarHBondContact O-CB 3.37Å; K94-Q98 VanDerWaalsContact O-CG 3.23Å; K94-Q98 WeakPolarHBondContact O-CG 3.13Å; K94-Q98 PolarHBondContact O-N 2.93Å; K94-E112 IonicContact NZ-OE1 3.13Å; K94-E112 IonicContact NZ-OE2 2.84Å; K94-E112 PolarHBondContact NZ-OE2 3.31Å; K94-L115 HydrophobicContact CD-CD1 4.03Å; K94-L115 VanDerWaalsContact CE-CD1 3.49Å; K94-L115 HydrophobicContact CG-CD1 4.14Å; K94-S122 PolarHBondContact N-O 3.08Å; K94-I124 HydrophobicContact CB-CD1 4.1Å |
| 95 | E | 93.6 | Very high | 90.8 | Very high | 116 Ų | 116 | 52.5 Ų | 52.5 | 54% | 0.542 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 179.6 | -58.4 | 71.1 | -151.1 | 0 | 0 | 112 | S93 Q98 L99 | S93-E95 VanDerWaalsContact CB-OE2 3.24Å; S93-E95 WeakPolarHBondContact CB-OE2 3.32Å; S93-E95 PolarHBondContact O-N 3.47Å; S93-E95 PolarHBondContact OG-OE2 3.28Å; E95-Q98 PolarHBondContact O-N 2.89Å; E95-L99 VanDerWaalsContact O-CB 3.28Å; E95-L99 WeakPolarHBondContact O-CB 3.46Å; E95-L99 PolarHBondContact O-N 3.29Å |
| 96 | D | 93.2 | Very high | 90.8 | Very high | 48 Ų | 48 | 51.8 Ų | 51.8 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 176.6 | -85.8 | -5.6 | 0 | 0 | 0 | 110.6 | L86 K89 S93 L99 K100 | L86-D96 HydrophobicContact CD2-CB 4.35Å; K89-D96 IonicContact NZ-OD2 3.18Å; K89-D96 PolarHBondContact NZ-OD2 2.96Å; S93-D96 PolarHBondContact O-N 3.39Å; S93-D96 VanDerWaalsContact O-N 3.14Å; S93-D96 PolarHBondContact OG-N 3.37Å; D96-L99 PolarHBondContact O-N 2.86Å; D96-K100 WeakPolarHBondContact O-CG 3.41Å; D96-K100 PolarHBondContact O-N 3.32Å |
| 97 | V | 94.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 176.9 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | L86 C92 S93 K94 L99 K100 W101 L111 I124 F129 | L86-V97 HydrophobicContact CD1-CG2 4.2Å; C92-V97 HydrophobicContact CB-CG2 3.97Å; S93-V97 PolarHBondContact O-N 3.39Å; S93-V97 VanDerWaalsContact O-N 3.13Å; K94-V97 PolarHBondContact O-N 3.46Å; V97-L99 VanDerWaalsContact C-N 3.32Å; V97-L99 PolarHBondContact O-N 3.37Å; V97-K100 PolarHBondContact O-N 2.83Å; V97-W101 WeakPolarHBondContact O-CB 3.27Å; V97-W101 PolarHBondContact O-N 3.14Å; V97-L111 HydrophobicContact CG1-CD1 3.88Å; V97-I124 HydrophobicContact CB-CD1 4.19Å; V97-I124 HydrophobicContact CG2-CD1 3.77Å; V97-F129 HydrophobicContact CG1-CE1 4.06Å; V97-F129 HydrophobicContact CG1-CE2 4.35Å; V97-F129 HydrophobicContact CG1-CZ 3.94Å |
| 98 | Q | 95.2 | Very high | 91.2 | Very high | 42 Ų | 42 | 54.2 Ų | 54.2 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 177.6 | -74.4 | -177.6 | -18.3 | 0 | 0 | 112.4 | K94 E95 K102 M108 L111 E112 | K94-Q98 HydrophobicContact CG-CG 4.29Å; K94-Q98 WeakPolarHBondContact O-CB 3.37Å; K94-Q98 VanDerWaalsContact O-CG 3.23Å; K94-Q98 WeakPolarHBondContact O-CG 3.13Å; K94-Q98 PolarHBondContact O-N 2.93Å; E95-Q98 PolarHBondContact O-N 2.89Å; Q98-K102 WeakPolarHBondContact O-CB 3.5Å; Q98-K102 VanDerWaalsContact O-CG 3.26Å; Q98-K102 WeakPolarHBondContact O-CG 3.34Å; Q98-K102 PolarHBondContact O-N 2.95Å; Q98-M108 HydrophobicContact CB-CE 4.5Å; Q98-M108 HydrophobicContact CG-CE 3.99Å; Q98-L111 HydrophobicContact CB-CD2 4.17Å; Q98-L111 HydrophobicContact CG-CD2 3.57Å; Q98-E112 PolarHBondContact NE2-OE1 3.49Å |
| 99 | L | 94.5 | Very high | 91.7 | Very high | 108 Ų | 108 | 57.3 Ų | 57.3 | 57% | 0.565 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64 | -48.9 | 178.3 | -179.2 | 67.3 | 0 | 0 | 0 | 111.2 | E95 D96 V97 K102 A103 | E95-L99 VanDerWaalsContact O-CB 3.28Å; E95-L99 WeakPolarHBondContact O-CB 3.46Å; E95-L99 PolarHBondContact O-N 3.29Å; D96-L99 PolarHBondContact O-N 2.86Å; V97-L99 VanDerWaalsContact C-N 3.32Å; V97-L99 PolarHBondContact O-N 3.37Å; L99-K102 PolarHBondContact O-N 3.07Å; L99-A103 WeakPolarHBondContact O-CB 3.49Å; L99-A103 PolarHBondContact O-N 3Å |
| 100 | K | 95.1 | Very high | 92.4 | Very high | 31 Ų | 31 | 53.7 Ų | 53.7 | 14% | 0.135 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.7 | -36 | 179.4 | -61.4 | -54 | -175.1 | 178.5 | 0 | 112 | E53 L82 Q85 L86 D96 V97 A103 L104 | E53-K100 IonicContact OE2-NZ 3.97Å; E53-K100 PolarHBondContact OE2-NZ 3.47Å; L82-K100 HydrophobicContact CD2-CB 3.78Å; Q85-K100 HydrophobicContact CB-CD 4.49Å; L86-K100 HydrophobicContact CD1-CB 4.28Å; L86-K100 HydrophobicContact CD1-CG 4.39Å; L86-K100 HydrophobicContact CD2-CG 4.06Å; L86-K100 HydrophobicContact CG-CG 4.3Å; D96-K100 WeakPolarHBondContact O-CG 3.41Å; D96-K100 PolarHBondContact O-N 3.32Å; V97-K100 PolarHBondContact O-N 2.83Å; K100-A103 WeakPolarHBondContact O-CB 3.43Å; K100-A103 PolarHBondContact O-N 3.13Å; K100-L104 PolarHBondContact O-N 3.41Å |
| 101 | W | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.8 | -48.7 | 174.3 | -167.3 | -90.8 | 0 | 0 | 0 | 112.1 | L74 L82 V97 A103 L104 L106 P107 Q110 L111 L114 F129 | L74-W101 HydrophobicContact CD1-CH2 4Å; L74-W101 HydrophobicContact CD1-CZ3 4.27Å; L74-W101 HydrophobicContact CD2-CH2 4.2Å; L82-W101 HydrophobicContact CD1-CE3 3.54Å; L82-W101 HydrophobicContact CD1-CZ3 3.7Å; V97-W101 WeakPolarHBondContact O-CB 3.27Å; V97-W101 PolarHBondContact O-N 3.14Å; W101-A103 VanDerWaalsContact C-N 3.33Å; W101-A103 PolarHBondContact O-N 3.44Å; W101-L104 PolarHBondContact O-N 2.87Å; W101-L104 VanDerWaalsContact O-N 3.14Å; W101-L106 VanDerWaalsContact CD1-CB 3.49Å; W101-L106 HydrophobicContact CD2-CB 3.93Å; W101-L106 HydrophobicContact CD2-CD1 3.64Å; W101-L106 HydrophobicContact CD2-CG 4.45Å; W101-L106 VanDerWaalsContact CE2-CB 3.41Å; W101-L106 HydrophobicContact CE3-CD1 3.82Å; W101-L106 HydrophobicContact CG-CB 3.96Å; W101-L106 HydrophobicContact CG-CD1 4.18Å; W101-L106 HydrophobicContact CH2-CD1 4.11Å; W101-L106 HydrophobicContact CZ2-CB 3.97Å; W101-L106 HydrophobicContact CZ2-CD1 3.95Å; W101-L106 HydrophobicContact CZ2-CG 4.47Å; W101-L106 HydrophobicContact CZ3-CD1 4.06Å; W101-L106 PolarHBondContact O-N 2.93Å; W101-P107 PolarHBondContact NE1-O 3.43Å; W101-Q110 HydrophobicContact CZ2-CB 4.27Å; W101-Q110 HydrophobicContact CZ2-CG 4.2Å; W101-L111 HydrophobicContact CB-CD2 3.93Å; W101-L111 HydrophobicContact CD2-CB 4.09Å; W101-L111 HydrophobicContact CD2-CD1 4.13Å; W101-L111 HydrophobicContact CD2-CD2 4.38Å; W101-L111 HydrophobicContact CD2-CG 4.44Å; W101-L111 HydrophobicContact CE3-CD1 4.15Å; W101-L111 HydrophobicContact CG-CB 4.15Å; W101-L111 HydrophobicContact CG-CD1 4.43Å; W101-L111 HydrophobicContact CG-CD2 3.85Å; W101-L111 HydrophobicContact CG-CG 4.39Å; W101-L111 HydrophobicContact CZ2-CB 4.36Å; W101-L114 HydrophobicContact CH2-CD1 3.68Å; W101-L114 HydrophobicContact CZ2-CD1 4.42Å; W101-L114 HydrophobicContact CZ3-CD1 4.24Å; W101-F129 HydrophobicContact CE3-CE1 4.46Å; W101-F129 HydrophobicContact CE3-CZ 4.32Å; W101-F129 HydrophobicContact CZ3-CE1 4.13Å; W101-F129 HydrophobicContact CZ3-CZ 4.05Å |
| 102 | K | 94.4 | Very high | 93.6 | Very high | 97 Ų | 97 | 44.9 Ų | 44.9 | 42% | 0.422 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63 | -38.4 | 175 | -73.4 | 176.1 | -176.4 | 177 | 0 | 112 | Q40 Q98 L99 L104 C105 M108 | Q40-K102 PolarHBondContact NE2-O 3.23Å; Q98-K102 WeakPolarHBondContact O-CB 3.5Å; Q98-K102 VanDerWaalsContact O-CG 3.26Å; Q98-K102 WeakPolarHBondContact O-CG 3.34Å; Q98-K102 PolarHBondContact O-N 2.95Å; L99-K102 PolarHBondContact O-N 3.07Å; K102-L104 PolarHBondContact O-N 2.9Å; K102-L104 VanDerWaalsContact O-N 3.12Å; K102-C105 WeakPolarHBondContact O-CA 3.18Å; K102-C105 PolarHBondContact O-N 2.88Å; K102-M108 HydrophobicContact CD-SD 4.1Å; K102-M108 WeakPolarHBondContact CE-SD 3.24Å; K102-M108 HydrophobicContact CG-CG 4.31Å; K102-M108 HydrophobicContact CG-SD 3.62Å |
| 103 | A | 94.1 | Very high | 93.7 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.9 | -25.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A44 L99 K100 W101 | A44-A103 HydrophobicContact CB-CB 3.59Å; L99-A103 WeakPolarHBondContact O-CB 3.49Å; L99-A103 PolarHBondContact O-N 3Å; K100-A103 WeakPolarHBondContact O-CB 3.43Å; K100-A103 PolarHBondContact O-N 3.13Å; W101-A103 VanDerWaalsContact C-N 3.33Å; W101-A103 PolarHBondContact O-N 3.44Å |
| 104 | L | 93.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 5.2 | 175.2 | -60.9 | -179.8 | 0 | 0 | 0 | 114 | P56 L78 I81 L82 K100 W101 K102 L106 | P56-L104 HydrophobicContact CB-CD2 3.67Å; L78-L104 HydrophobicContact CB-CD1 4.3Å; L78-L104 HydrophobicContact CD2-CB 4.42Å; L78-L104 HydrophobicContact CD2-CD1 4.41Å; L78-L104 HydrophobicContact CD2-CD2 4.22Å; I81-L104 HydrophobicContact CB-CD1 4.3Å; I81-L104 HydrophobicContact CD1-CD2 4.05Å; I81-L104 HydrophobicContact CG2-CD1 4.24Å; I81-L104 HydrophobicContact CG2-CD2 3.97Å; L82-L104 HydrophobicContact CD1-CD1 4.29Å; L82-L104 HydrophobicContact CD2-CD1 3.59Å; L82-L104 HydrophobicContact CG-CD1 3.58Å; K100-L104 PolarHBondContact O-N 3.41Å; W101-L104 PolarHBondContact O-N 2.87Å; W101-L104 VanDerWaalsContact O-N 3.14Å; K102-L104 PolarHBondContact O-N 2.9Å; K102-L104 VanDerWaalsContact O-N 3.12Å; L104-L106 HydrophobicContact CB-CD1 3.99Å; L104-L106 HydrophobicContact CB-CG 3.96Å; L104-L106 HydrophobicContact CD1-CD1 4.25Å; L104-L106 PolarHBondContact O-N 3.34Å |
| 105 | C | 92.3 | Very high | 93.8 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 11% | 0.108 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 33.3 | -179.2 | -51.2 | 0 | 0 | 0 | 0 | 112.7 | K36 D37 K102 | K36-C105 HydrophobicContact CB-CB 4.34Å; D37-C105 HydrophobicContact CB-CB 4.45Å; D37-C105 PolarHBondContact O-SG 3.09Å; K102-C105 WeakPolarHBondContact O-CA 3.18Å; K102-C105 PolarHBondContact O-N 2.88Å |
| 106 | L | 92.6 | Very high | 93.8 | Very high | 10 Ų | 10 | 42.8 Ų | 42.8 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | trans | -83.1 | 148.1 | 177.1 | -67.9 | 170 | 0 | 0 | 0 | 111.1 | G73 L74 L78 L82 W101 L104 M108 | G73-L106 WeakPolarHBondContact O-CD2 3.39Å; L74-L106 HydrophobicContact CB-CD2 4.28Å; L74-L106 HydrophobicContact CD1-CD1 3.83Å; L74-L106 HydrophobicContact CD1-CD2 4.17Å; L78-L106 HydrophobicContact CD1-CD2 3.65Å; L78-L106 HydrophobicContact CD1-CG 4.37Å; L82-L106 HydrophobicContact CD1-CD1 4.27Å; W101-L106 VanDerWaalsContact CD1-CB 3.49Å; W101-L106 HydrophobicContact CD2-CB 3.93Å; W101-L106 HydrophobicContact CD2-CD1 3.64Å; W101-L106 HydrophobicContact CD2-CG 4.45Å; W101-L106 VanDerWaalsContact CE2-CB 3.41Å; W101-L106 HydrophobicContact CE3-CD1 3.82Å; W101-L106 HydrophobicContact CG-CB 3.96Å; W101-L106 HydrophobicContact CG-CD1 4.18Å; W101-L106 HydrophobicContact CH2-CD1 4.11Å; W101-L106 HydrophobicContact CZ2-CB 3.97Å; W101-L106 HydrophobicContact CZ2-CD1 3.95Å; W101-L106 HydrophobicContact CZ2-CG 4.47Å; W101-L106 HydrophobicContact CZ3-CD1 4.06Å; W101-L106 PolarHBondContact O-N 2.93Å; L104-L106 HydrophobicContact CB-CD1 3.99Å; L104-L106 HydrophobicContact CB-CG 3.96Å; L104-L106 HydrophobicContact CD1-CD1 4.25Å; L104-L106 PolarHBondContact O-N 3.34Å; L106-M108 PolarHBondContact O-N 3.41Å | ||
| 107 | P | 92.2 | Very high | 93.7 | Very high | 45 Ų | 45 | 44.9 Ų | 44.9 | 29% | 0.292 | 24% | 0.243 | S | C | . | . | trans | -63.8 | 130.6 | -179.8 | -20.8 | 33.3 | 0 | 0 | 0 | 112.3 | T72 W101 E109 Q110 L111 | T72-P107 WeakPolarHBondContact O-CD 3.41Å; W101-P107 PolarHBondContact NE1-O 3.43Å; P107-E109 VanDerWaalsContact C-N 3.31Å; P107-E109 PolarHBondContact O-N 2.71Å; P107-Q110 HydrophobicContact CB-CB 4.37Å; P107-Q110 PolarHBondContact O-N 3Å; P107-L111 PolarHBondContact O-N 3.43Å | ||
| 108 | M | 93 | Very high | 93.5 | Very high | 56 Ų | 56 | 45.5 Ų | 45.5 | 28% | 0.276 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -68.8 | -30.5 | 178.5 | -76.3 | -61.9 | -56.8 | 0 | 0 | 113 | Q98 K102 L106 Q110 L111 E112 | Q98-M108 HydrophobicContact CB-CE 4.5Å; Q98-M108 HydrophobicContact CG-CE 3.99Å; K102-M108 HydrophobicContact CD-SD 4.1Å; K102-M108 WeakPolarHBondContact CE-SD 3.24Å; K102-M108 HydrophobicContact CG-CG 4.31Å; K102-M108 HydrophobicContact CG-SD 3.62Å; L106-M108 PolarHBondContact O-N 3.41Å; M108-Q110 VanDerWaalsContact C-N 3.27Å; M108-Q110 PolarHBondContact O-N 2.9Å; M108-L111 HydrophobicContact CE-CD2 3.82Å; M108-L111 WeakPolarHBondContact O-CB 3.28Å; M108-L111 PolarHBondContact O-N 3.47Å; M108-L111 VanDerWaalsContact O-N 3.13Å; M108-L111 HydrophobicContact SD-CD2 3.99Å; M108-E112 PolarHBondContact O-N 3.09Å |
| 109 | E | 92.5 | Very high | 93.3 | Very high | 171 Ų | 171 | 48.7 Ų | 48.7 | 80% | 0.799 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.3 | -40.8 | 175.1 | -66.7 | 167 | -171.4 | 0 | 0 | 111.2 | P107 E112 A113 | P107-E109 VanDerWaalsContact C-N 3.31Å; P107-E109 PolarHBondContact O-N 2.71Å; E109-E112 PolarHBondContact O-N 3.01Å; E109-A113 WeakPolarHBondContact O-CB 3.37Å; E109-A113 PolarHBondContact O-N 3.39Å |
| 110 | Q | 91.9 | Very high | 93.2 | Very high | 24 Ų | 24 | 45 Ų | 45 | 11% | 0.112 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65 | -41.5 | 175.1 | -170.9 | -170 | 2.8 | 0 | 0 | 111.3 | T72 W101 P107 M108 A113 L114 | T72-Q110 PolarHBondContact O-OE1 3.03Å; W101-Q110 HydrophobicContact CZ2-CB 4.27Å; W101-Q110 HydrophobicContact CZ2-CG 4.2Å; P107-Q110 HydrophobicContact CB-CB 4.37Å; P107-Q110 PolarHBondContact O-N 3Å; M108-Q110 VanDerWaalsContact C-N 3.27Å; M108-Q110 PolarHBondContact O-N 2.9Å; Q110-A113 PolarHBondContact O-N 3.41Å; Q110-L114 HydrophobicContact CG-CD1 4.46Å; Q110-L114 WeakPolarHBondContact O-CG 3.29Å; Q110-L114 PolarHBondContact O-N 3.23Å |
| 111 | L | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 176.9 | 176.7 | 59.3 | 0 | 0 | 0 | 111.5 | V97 Q98 W101 P107 M108 A113 L114 L115 F129 | V97-L111 HydrophobicContact CG1-CD1 3.88Å; Q98-L111 HydrophobicContact CB-CD2 4.17Å; Q98-L111 HydrophobicContact CG-CD2 3.57Å; W101-L111 HydrophobicContact CB-CD2 3.93Å; W101-L111 HydrophobicContact CD2-CB 4.09Å; W101-L111 HydrophobicContact CD2-CD1 4.13Å; W101-L111 HydrophobicContact CD2-CD2 4.38Å; W101-L111 HydrophobicContact CD2-CG 4.44Å; W101-L111 HydrophobicContact CE3-CD1 4.15Å; W101-L111 HydrophobicContact CG-CB 4.15Å; W101-L111 HydrophobicContact CG-CD1 4.43Å; W101-L111 HydrophobicContact CG-CD2 3.85Å; W101-L111 HydrophobicContact CG-CG 4.39Å; W101-L111 HydrophobicContact CZ2-CB 4.36Å; P107-L111 PolarHBondContact O-N 3.43Å; M108-L111 HydrophobicContact CE-CD2 3.82Å; M108-L111 WeakPolarHBondContact O-CB 3.28Å; M108-L111 PolarHBondContact O-N 3.47Å; M108-L111 VanDerWaalsContact O-N 3.13Å; M108-L111 HydrophobicContact SD-CD2 3.99Å; L111-A113 VanDerWaalsContact C-N 3.28Å; L111-A113 PolarHBondContact O-N 3.2Å; L111-L114 PolarHBondContact O-N 2.92Å; L111-L115 HydrophobicContact CD1-CD1 4.11Å; L111-L115 HydrophobicContact CD1-CG 4.07Å; L111-L115 HydrophobicContact CG-CD1 3.96Å; L111-L115 HydrophobicContact CG-CG 4.34Å; L111-L115 VanDerWaalsContact O-CG 3.29Å; L111-L115 WeakPolarHBondContact O-CG 3.15Å; L111-L115 PolarHBondContact O-N 2.87Å; L111-F129 HydrophobicContact CD1-CE2 3.64Å; L111-F129 HydrophobicContact CD1-CZ 3.38Å |
| 112 | E | 94.1 | Very high | 92.5 | Very high | 63 Ų | 63 | 50.3 Ų | 50.3 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.8 | -32.2 | 179.8 | -62.7 | -59.1 | 147.8 | 0 | 0 | 111.9 | K94 Q98 M108 E109 L115 S116 | K94-E112 IonicContact NZ-OE1 3.13Å; K94-E112 IonicContact NZ-OE2 2.84Å; K94-E112 PolarHBondContact NZ-OE2 3.31Å; Q98-E112 PolarHBondContact NE2-OE1 3.49Å; M108-E112 PolarHBondContact O-N 3.09Å; E109-E112 PolarHBondContact O-N 3.01Å; E112-L115 PolarHBondContact O-N 3.41Å; E112-S116 VanDerWaalsContact O-CB 3.31Å; E112-S116 WeakPolarHBondContact O-CB 3.45Å; E112-S116 PolarHBondContact O-N 3.08Å; E112-S116 PolarHBondContact O-OG 3Å |
| 113 | A | 93.3 | Very high | 92.4 | Very high | 60 Ų | 60 | 52.7 Ų | 52.7 | 50% | 0.496 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | E109 Q110 L111 S116 L117 | E109-A113 WeakPolarHBondContact O-CB 3.37Å; E109-A113 PolarHBondContact O-N 3.39Å; Q110-A113 PolarHBondContact O-N 3.41Å; L111-A113 VanDerWaalsContact C-N 3.28Å; L111-A113 PolarHBondContact O-N 3.2Å; A113-S116 PolarHBondContact O-N 3.29Å; A113-L117 WeakPolarHBondContact O-CB 3.35Å; A113-L117 PolarHBondContact O-N 3.4Å |
| 114 | L | 94 | Very high | 92.3 | Very high | 11 Ų | 11 | 52 Ų | 52 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 175.3 | -66.3 | 171.8 | 0 | 0 | 0 | 111.7 | W101 Q110 L111 S116 L117 G118 F129 L132 A136 | W101-L114 HydrophobicContact CH2-CD1 3.68Å; W101-L114 HydrophobicContact CZ2-CD1 4.42Å; W101-L114 HydrophobicContact CZ3-CD1 4.24Å; Q110-L114 HydrophobicContact CG-CD1 4.46Å; Q110-L114 WeakPolarHBondContact O-CG 3.29Å; Q110-L114 PolarHBondContact O-N 3.23Å; L111-L114 PolarHBondContact O-N 2.92Å; L114-S116 VanDerWaalsContact C-N 3.32Å; L114-S116 PolarHBondContact O-N 3.08Å; L114-L117 PolarHBondContact O-N 2.96Å; L114-G118 PolarHBondContact O-N 3.44Å; L114-G118 VanDerWaalsContact O-N 3.09Å; L114-F129 HydrophobicContact CB-CE2 3.97Å; L114-F129 HydrophobicContact CB-CZ 4.39Å; L114-F129 HydrophobicContact CD1-CZ 4.14Å; L114-L132 HydrophobicContact CD2-CB 3.88Å; L114-L132 WeakPolarHBondContact O-CD1 3.4Å; L114-A136 HydrophobicContact CD2-CB 4.08Å |
| 115 | L | 94.3 | Very high | 92.4 | Very high | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 178 | -70.1 | 174.7 | 0 | 0 | 0 | 112.1 | K94 L111 E112 S119 F120 I124 F129 | K94-L115 HydrophobicContact CD-CD1 4.03Å; K94-L115 VanDerWaalsContact CE-CD1 3.49Å; K94-L115 HydrophobicContact CG-CD1 4.14Å; L111-L115 HydrophobicContact CD1-CD1 4.11Å; L111-L115 HydrophobicContact CD1-CG 4.07Å; L111-L115 HydrophobicContact CG-CD1 3.96Å; L111-L115 HydrophobicContact CG-CG 4.34Å; L111-L115 VanDerWaalsContact O-CG 3.29Å; L111-L115 WeakPolarHBondContact O-CG 3.15Å; L111-L115 PolarHBondContact O-N 2.87Å; E112-L115 PolarHBondContact O-N 3.41Å; L115-S119 PolarHBondContact O-N 3.26Å; L115-F120 HydrophobicContact CD2-CB 4.12Å; L115-F120 HydrophobicContact CD2-CD2 4.12Å; L115-F120 HydrophobicContact CD2-CG 4.47Å; L115-F120 PolarHBondContact O-N 3.46Å; L115-I124 HydrophobicContact CD2-CD1 3.51Å; L115-I124 HydrophobicContact CD2-CG1 4.25Å; L115-F129 HydrophobicContact CD2-CD2 3.92Å; L115-F129 HydrophobicContact CD2-CE2 3.77Å; L115-F129 HydrophobicContact CG-CE2 4.18Å |
| 116 | S | 93.8 | Very high | 92.5 | Very high | 88 Ų | 88 | 53.2 Ų | 53.2 | 62% | 0.615 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.7 | -40.2 | 177.4 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | E112 A113 L114 S119 | E112-S116 VanDerWaalsContact O-CB 3.31Å; E112-S116 WeakPolarHBondContact O-CB 3.45Å; E112-S116 PolarHBondContact O-N 3.08Å; E112-S116 PolarHBondContact O-OG 3Å; A113-S116 PolarHBondContact O-N 3.29Å; L114-S116 VanDerWaalsContact C-N 3.32Å; L114-S116 PolarHBondContact O-N 3.08Å; S116-S119 PolarHBondContact O-N 2.9Å; S116-S119 VanDerWaalsContact O-N 3.15Å |
| 117 | L | 92.5 | Very high | 92.6 | Very high | 92 Ų | 92 | 54.7 Ų | 54.7 | 48% | 0.482 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 179 | -178.1 | 62.6 | 0 | 0 | 0 | 111.9 | A113 L114 S119 L132 I178 | A113-L117 WeakPolarHBondContact O-CB 3.35Å; A113-L117 PolarHBondContact O-N 3.4Å; L114-L117 PolarHBondContact O-N 2.96Å; L117-S119 VanDerWaalsContact C-N 3.25Å; L117-S119 PolarHBondContact O-N 3.15Å; L117-L132 HydrophobicContact CB-CD1 4.29Å; L117-L132 HydrophobicContact CD2-CD2 3.86Å; L117-L132 HydrophobicContact CG-CD1 4.41Å; L117-L132 HydrophobicContact CG-CD2 4.17Å; L117-I178 HydrophobicContact CD1-CG2 3.88Å; L117-I178 HydrophobicContact CD2-CG2 4.31Å; L117-I178 HydrophobicContact CG-CG2 4.01Å |
| 118 | G | 90.4 | Very high | 92.7 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 16% | 0.155 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 3.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L114 F120 | L114-G118 PolarHBondContact O-N 3.44Å; L114-G118 VanDerWaalsContact O-N 3.09Å; G118-F120 PolarHBondContact O-N 2.9Å; G118-F120 VanDerWaalsContact O-N 3.13Å |
| 119 | S | 91.6 | Very high | 92.9 | Very high | 108 Ų | 108 | 52.2 Ų | 52.2 | 76% | 0.755 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 36 | -175.4 | -60.6 | 0 | 0 | 0 | 0 | 113.7 | L115 S116 L117 | L115-S119 PolarHBondContact O-N 3.26Å; S116-S119 PolarHBondContact O-N 2.9Å; S116-S119 VanDerWaalsContact O-N 3.15Å; L117-S119 VanDerWaalsContact C-N 3.25Å; L117-S119 PolarHBondContact O-N 3.15Å |
| 120 | F | 91.8 | Very high | 93.1 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | trans | -74.6 | 139.5 | -174.6 | -65.6 | -67.9 | 0 | 0 | 0 | 112.6 | L115 G118 I124 E128 F129 L132 Y174 | L115-F120 HydrophobicContact CD2-CB 4.12Å; L115-F120 HydrophobicContact CD2-CD2 4.12Å; L115-F120 HydrophobicContact CD2-CG 4.47Å; L115-F120 PolarHBondContact O-N 3.46Å; G118-F120 PolarHBondContact O-N 2.9Å; G118-F120 VanDerWaalsContact O-N 3.13Å; F120-I124 HydrophobicContact CB-CG1 4.04Å; F120-I124 HydrophobicContact CD1-CB 4.42Å; F120-I124 HydrophobicContact CD1-CG2 3.94Å; F120-I124 HydrophobicContact CD2-CG2 4.48Å; F120-I124 HydrophobicContact CE1-CG2 4.09Å; F120-I124 HydrophobicContact CG-CG1 4.31Å; F120-I124 HydrophobicContact CG-CG2 4.16Å; F120-I124 HydrophobicContact CZ-CG2 4.4Å; F120-E128 HydrophobicContact CE1-CB 4Å; F120-E128 HydrophobicContact CZ-CB 3.78Å; F120-F129 HydrophobicContact CD2-CD2 4.29Å; F120-F129 HydrophobicContact CE2-CB 4.08Å; F120-F129 HydrophobicContact CE2-CD2 4.01Å; F120-F129 HydrophobicContact CZ-CB 4.05Å; F120-L132 HydrophobicContact CE2-CD1 3.74Å; F120-L132 HydrophobicContact CZ-CD1 4.45Å; F120-Y174 WeakPolarHBondContact CZ-OH 3.38Å | ||
| 121 | G | 87.5 | Confident | 93.2 | Very high | 49 Ų | 49 | 43 Ų | 43 | 51% | 0.505 | 26% | 0.264 | S | S | . | . | trans | -91.3 | -135.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 122 | S | 88.3 | Confident | 93.2 | Very high | 92 Ų | 92 | 43 Ų | 43 | 64% | 0.643 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -78.5 | -33.4 | 176.5 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | S93 K94 | S93-S122 WeakPolarHBondContact CA-O 3.24Å; K94-S122 PolarHBondContact N-O 3.08Å |
| 123 | E | 91.7 | Very high | 93.3 | Very high | 147 Ų | 147 | 40 Ų | 40 | 69% | 0.687 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.8 | 174.7 | -64.7 | -172 | 172.1 | 0 | 0 | 109.2 | ||
| 124 | I | 93.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 123.7 | -174.9 | -60.6 | 167.6 | 0 | 0 | 0 | 107.3 | T91 C92 K94 V97 L115 F120 W126 F129 | T91-I124 WeakPolarHBondContact CA-O 3.46Å; C92-I124 PolarHBondContact N-O 3.37Å; C92-I124 PolarHBondContact O-N 3.19Å; K94-I124 HydrophobicContact CB-CD1 4.1Å; V97-I124 HydrophobicContact CB-CD1 4.19Å; V97-I124 HydrophobicContact CG2-CD1 3.77Å; L115-I124 HydrophobicContact CD2-CD1 3.51Å; L115-I124 HydrophobicContact CD2-CG1 4.25Å; F120-I124 HydrophobicContact CB-CG1 4.04Å; F120-I124 HydrophobicContact CD1-CB 4.42Å; F120-I124 HydrophobicContact CD1-CG2 3.94Å; F120-I124 HydrophobicContact CD2-CG2 4.48Å; F120-I124 HydrophobicContact CE1-CG2 4.09Å; F120-I124 HydrophobicContact CG-CG1 4.31Å; F120-I124 HydrophobicContact CG-CG2 4.16Å; F120-I124 HydrophobicContact CZ-CG2 4.4Å; I124-W126 PolarHBondContact O-N 3.48Å; I124-F129 HydrophobicContact CG2-CB 3.57Å; I124-F129 HydrophobicContact CG2-CD2 4.2Å; I124-F129 HydrophobicContact CG2-CG 4.09Å |
| 125 | N | 93.9 | Very high | 93.2 | Very high | 46 Ų | 46 | 38.4 Ų | 38.4 | 25% | 0.246 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 115.2 | 163.9 | 179.6 | -24 | 0 | 0 | 0 | 107.9 | M127 E128 F129 | N125-M127 VanDerWaalsContact C-N 3.29Å; N125-M127 PolarHBondContact O-N 2.99Å; N125-M127 PolarHBondContact OD1-N 3.14Å; N125-E128 HydrophobicContact CB-CB 4.1Å; N125-E128 HydrophobicContact CB-CG 4.06Å; N125-E128 WeakPolarHBondContact CB-OE2 3.31Å; N125-E128 VanDerWaalsContact ND2-CD 3.29Å; N125-E128 PolarHBondContact ND2-OE1 3.16Å; N125-E128 PolarHBondContact O-N 3.16Å; N125-F129 PolarHBondContact O-N 2.66Å; N125-F129 VanDerWaalsContact O-N 3.09Å |
| 126 | W | 94.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.011 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -36.4 | -173.6 | 175.2 | -109.1 | 0 | 0 | 0 | 112.4 | L82 H83 L86 E90 I124 F129 F130 | L82-W126 VanDerWaalsContact C-CZ2 3.46Å; L82-W126 HydrophobicContact CB-CH2 3.57Å; L82-W126 HydrophobicContact CB-CZ2 3.94Å; H83-W126 VanDerWaalsContact CA-CZ2 3.43Å; H83-W126 HydrophobicContact CB-CZ2 4.14Å; H83-W126 AromaticContact CE1-NE1 3.98Å; H83-W126 AromaticContact CG-NE1 3.89Å; H83-W126 AromaticContact ND1-NE1 3.21Å; H83-W126 PolarHBondContact ND1-NE1 2.84Å; L86-W126 HydrophobicContact CB-CD2 3.6Å; L86-W126 HydrophobicContact CB-CE3 3.62Å; L86-W126 HydrophobicContact CB-CG 4.26Å; L86-W126 HydrophobicContact CB-CH2 4.22Å; L86-W126 HydrophobicContact CB-CZ2 4.16Å; L86-W126 HydrophobicContact CB-CZ3 3.94Å; L86-W126 HydrophobicContact CD1-CD2 4.47Å; L86-W126 HydrophobicContact CD1-CE3 3.7Å; L86-W126 HydrophobicContact CD1-CH2 3.67Å; L86-W126 HydrophobicContact CD1-CZ2 4.4Å; L86-W126 HydrophobicContact CD1-CZ3 3.23Å; L86-W126 HydrophobicContact CG-CE3 4.28Å; L86-W126 HydrophobicContact CG-CZ3 4.21Å; E90-W126 PolarHBondContact O-N 2.94Å; I124-W126 PolarHBondContact O-N 3.48Å; W126-F129 HydrophobicContact CE3-CD1 4.19Å; W126-F129 HydrophobicContact CH2-CD1 4.05Å; W126-F129 HydrophobicContact CH2-CE1 4.38Å; W126-F129 AromaticContact CZ3-CD1 3.55Å; W126-F129 HydrophobicContact CZ3-CD1 3.55Å; W126-F129 HydrophobicContact CZ3-CE1 4.04Å; W126-F129 HydrophobicContact CZ3-CG 4.48Å; W126-F129 PolarHBondContact O-N 2.92Å; W126-F130 HydrophobicContact CZ2-CB 4.42Å; W126-F130 HydrophobicContact CZ2-CD2 4.48Å; W126-F130 WeakPolarHBondContact O-CB 3.28Å; W126-F130 PolarHBondContact O-N 3.43Å |
| 127 | M | 95.2 | Very high | 92.9 | Very high | 41 Ų | 41 | 37.3 Ų | 37.3 | 20% | 0.202 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.4 | -36.8 | -177.1 | -67.7 | -58.1 | -61.9 | 0 | 0 | 112.2 | N125 F130 A131 L152 T167 L171 | N125-M127 VanDerWaalsContact C-N 3.29Å; N125-M127 PolarHBondContact O-N 2.99Å; N125-M127 PolarHBondContact OD1-N 3.14Å; M127-F130 HydrophobicContact CE-CD1 4.43Å; M127-F130 WeakPolarHBondContact O-CB 3.18Å; M127-F130 PolarHBondContact O-N 3.18Å; M127-A131 WeakPolarHBondContact O-CB 3.23Å; M127-A131 PolarHBondContact O-N 2.55Å; M127-L152 HydrophobicContact CE-CD1 3.96Å; M127-L152 HydrophobicContact CE-CD2 4.38Å; M127-T167 HydrophobicContact CE-CG2 3.75Å; M127-L171 HydrophobicContact CB-CD2 4.4Å; M127-L171 HydrophobicContact CE-CD1 4.14Å; M127-L171 HydrophobicContact CE-CD2 4.09Å; M127-L171 HydrophobicContact CE-CG 4.39Å; M127-L171 VanDerWaalsContact O-CD2 3.27Å; M127-L171 WeakPolarHBondContact O-CD2 3.4Å |
| 128 | E | 95.1 | Very high | 92.4 | Very high | 49 Ų | 49 | 34.1 Ų | 34.1 | 23% | 0.229 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.1 | -46 | 174 | -70.9 | 171.3 | -161.8 | 0 | 0 | 111.2 | F120 N125 F130 A131 L132 H170 Y174 | F120-E128 HydrophobicContact CE1-CB 4Å; F120-E128 HydrophobicContact CZ-CB 3.78Å; N125-E128 HydrophobicContact CB-CB 4.1Å; N125-E128 HydrophobicContact CB-CG 4.06Å; N125-E128 WeakPolarHBondContact CB-OE2 3.31Å; N125-E128 VanDerWaalsContact ND2-CD 3.29Å; N125-E128 PolarHBondContact ND2-OE1 3.16Å; N125-E128 PolarHBondContact O-N 3.16Å; E128-F130 VanDerWaalsContact C-N 3.3Å; E128-F130 PolarHBondContact O-N 3.25Å; E128-A131 WeakPolarHBondContact O-CB 3.29Å; E128-A131 PolarHBondContact O-N 2.74Å; E128-L132 PolarHBondContact O-N 3.01Å; E128-L132 VanDerWaalsContact O-N 3.12Å; E128-H170 IonicContact OE1-CE1 2.96Å; E128-Y174 HydrophobicContact CB-CD1 4.18Å; E128-Y174 HydrophobicContact CB-CD2 4.26Å; E128-Y174 HydrophobicContact CB-CE1 3.72Å; E128-Y174 HydrophobicContact CB-CE2 3.81Å; E128-Y174 HydrophobicContact CB-CG 4.42Å; E128-Y174 HydrophobicContact CG-CD1 4.25Å; E128-Y174 HydrophobicContact CG-CD2 3.74Å; E128-Y174 HydrophobicContact CG-CE1 4.22Å; E128-Y174 HydrophobicContact CG-CE2 3.71Å; E128-Y174 HydrophobicContact CG-CG 4.01Å; E128-Y174 WeakPolarHBondContact O-CE1 3.44Å |
| 129 | F | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | 174.5 | -178.2 | -87.1 | 0 | 0 | 0 | 111.6 | V97 W101 L111 L114 L115 F120 I124 N125 W126 A131 L132 G133 | V97-F129 HydrophobicContact CG1-CE1 4.06Å; V97-F129 HydrophobicContact CG1-CE2 4.35Å; V97-F129 HydrophobicContact CG1-CZ 3.94Å; W101-F129 HydrophobicContact CE3-CE1 4.46Å; W101-F129 HydrophobicContact CE3-CZ 4.32Å; W101-F129 HydrophobicContact CZ3-CE1 4.13Å; W101-F129 HydrophobicContact CZ3-CZ 4.05Å; L111-F129 HydrophobicContact CD1-CE2 3.64Å; L111-F129 HydrophobicContact CD1-CZ 3.38Å; L114-F129 HydrophobicContact CB-CE2 3.97Å; L114-F129 HydrophobicContact CB-CZ 4.39Å; L114-F129 HydrophobicContact CD1-CZ 4.14Å; L115-F129 HydrophobicContact CD2-CD2 3.92Å; L115-F129 HydrophobicContact CD2-CE2 3.77Å; L115-F129 HydrophobicContact CG-CE2 4.18Å; F120-F129 HydrophobicContact CD2-CD2 4.29Å; F120-F129 HydrophobicContact CE2-CB 4.08Å; F120-F129 HydrophobicContact CE2-CD2 4.01Å; F120-F129 HydrophobicContact CZ-CB 4.05Å; I124-F129 HydrophobicContact CG2-CB 3.57Å; I124-F129 HydrophobicContact CG2-CD2 4.2Å; I124-F129 HydrophobicContact CG2-CG 4.09Å; N125-F129 PolarHBondContact O-N 2.66Å; N125-F129 VanDerWaalsContact O-N 3.09Å; W126-F129 HydrophobicContact CE3-CD1 4.19Å; W126-F129 HydrophobicContact CH2-CD1 4.05Å; W126-F129 HydrophobicContact CH2-CE1 4.38Å; W126-F129 AromaticContact CZ3-CD1 3.55Å; W126-F129 HydrophobicContact CZ3-CD1 3.55Å; W126-F129 HydrophobicContact CZ3-CE1 4.04Å; W126-F129 HydrophobicContact CZ3-CG 4.48Å; W126-F129 PolarHBondContact O-N 2.92Å; F129-A131 VanDerWaalsContact C-N 3.32Å; F129-A131 PolarHBondContact O-N 2.98Å; F129-L132 PolarHBondContact O-N 2.7Å; F129-G133 PolarHBondContact O-N 3.49Å |
| 130 | F | 96.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59 | -42.9 | 174.4 | 170.5 | -94.7 | 0 | 0 | 0 | 111.7 | L79 H83 W126 M127 E128 L132 G133 C134 A148 I151 L152 L171 | L79-F130 HydrophobicContact CD1-CD2 4.11Å; L79-F130 HydrophobicContact CD2-CD2 4.21Å; L79-F130 HydrophobicContact CD2-CE2 4.02Å; L79-F130 HydrophobicContact CG-CD2 3.93Å; L79-F130 HydrophobicContact CG-CE2 3.85Å; H83-F130 HydrophobicContact CB-CD2 4.2Å; H83-F130 HydrophobicContact CB-CE2 4.19Å; W126-F130 HydrophobicContact CZ2-CB 4.42Å; W126-F130 HydrophobicContact CZ2-CD2 4.48Å; W126-F130 WeakPolarHBondContact O-CB 3.28Å; W126-F130 PolarHBondContact O-N 3.43Å; M127-F130 HydrophobicContact CE-CD1 4.43Å; M127-F130 WeakPolarHBondContact O-CB 3.18Å; M127-F130 PolarHBondContact O-N 3.18Å; E128-F130 VanDerWaalsContact C-N 3.3Å; E128-F130 PolarHBondContact O-N 3.25Å; F130-L132 VanDerWaalsContact C-N 3.33Å; F130-L132 PolarHBondContact O-N 3.19Å; F130-G133 WeakPolarHBondContact O-CA 3.42Å; F130-G133 PolarHBondContact O-N 2.97Å; F130-G133 VanDerWaalsContact O-N 3.08Å; F130-C134 PolarHBondContact O-N 3.13Å; F130-A148 HydrophobicContact CE1-CB 3.96Å; F130-I151 HydrophobicContact CE2-CB 4.24Å; F130-I151 HydrophobicContact CE2-CD1 4.23Å; F130-I151 HydrophobicContact CE2-CG2 3.62Å; F130-I151 HydrophobicContact CZ-CB 3.94Å; F130-I151 HydrophobicContact CZ-CD1 4.26Å; F130-I151 HydrophobicContact CZ-CG2 3.75Å; F130-L152 HydrophobicContact CE1-CD1 3.71Å; F130-L152 HydrophobicContact CE1-CD2 4.02Å; F130-L152 HydrophobicContact CE1-CG 3.8Å; F130-L152 HydrophobicContact CZ-CD1 4.24Å; F130-L152 HydrophobicContact CZ-CD2 3.93Å; F130-L152 HydrophobicContact CZ-CG 3.8Å; F130-L171 HydrophobicContact CD1-CD2 4.33Å; F130-L171 HydrophobicContact CE1-CD1 4.38Å |
| 131 | A | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.1 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | M127 E128 F129 G133 C134 S135 L171 Y174 L175 | M127-A131 WeakPolarHBondContact O-CB 3.23Å; M127-A131 PolarHBondContact O-N 2.55Å; E128-A131 WeakPolarHBondContact O-CB 3.29Å; E128-A131 PolarHBondContact O-N 2.74Å; F129-A131 VanDerWaalsContact C-N 3.32Å; F129-A131 PolarHBondContact O-N 2.98Å; A131-G133 VanDerWaalsContact C-N 3.29Å; A131-G133 PolarHBondContact O-N 3.19Å; A131-C134 WeakPolarHBondContact O-CA 3.4Å; A131-C134 WeakPolarHBondContact O-CB 3.18Å; A131-C134 PolarHBondContact O-N 3.33Å; A131-C134 VanDerWaalsContact O-N 3.08Å; A131-S135 PolarHBondContact O-N 3.13Å; A131-L171 HydrophobicContact CB-CD2 3.67Å; A131-Y174 HydrophobicContact CB-CD1 3.77Å; A131-Y174 HydrophobicContact CB-CE1 4.09Å; A131-L175 HydrophobicContact CB-CD1 4.15Å; A131-L175 HydrophobicContact CB-CD2 3.9Å; A131-L175 HydrophobicContact CB-CG 3.87Å |
| 132 | L | 94.9 | Very high | 92 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.4 | -37.2 | 175 | -64.3 | -173.7 | 0 | 0 | 0 | 112.4 | L114 L117 F120 E128 F129 F130 C134 S135 A136 Y174 L175 I178 | L114-L132 HydrophobicContact CD2-CB 3.88Å; L114-L132 WeakPolarHBondContact O-CD1 3.4Å; L117-L132 HydrophobicContact CB-CD1 4.29Å; L117-L132 HydrophobicContact CD2-CD2 3.86Å; L117-L132 HydrophobicContact CG-CD1 4.41Å; L117-L132 HydrophobicContact CG-CD2 4.17Å; F120-L132 HydrophobicContact CE2-CD1 3.74Å; F120-L132 HydrophobicContact CZ-CD1 4.45Å; E128-L132 PolarHBondContact O-N 3.01Å; E128-L132 VanDerWaalsContact O-N 3.12Å; F129-L132 PolarHBondContact O-N 2.7Å; F130-L132 VanDerWaalsContact C-N 3.33Å; F130-L132 PolarHBondContact O-N 3.19Å; L132-C134 VanDerWaalsContact C-N 3.3Å; L132-C134 PolarHBondContact O-N 3.15Å; L132-S135 WeakPolarHBondContact O-CB 3.39Å; L132-S135 PolarHBondContact O-N 3.02Å; L132-S135 VanDerWaalsContact O-N 3.15Å; L132-A136 PolarHBondContact O-N 2.77Å; L132-Y174 HydrophobicContact CD2-CE1 4.02Å; L132-Y174 HydrophobicContact CG-CE1 4.01Å; L132-L175 HydrophobicContact CD2-CD2 4.31Å; L132-I178 HydrophobicContact CD2-CD1 3.5Å; L132-I178 VanDerWaalsContact CD2-CD1 3.5Å; L132-I178 HydrophobicContact CD2-CG2 4.36Å; L132-I178 HydrophobicContact CG-CD1 4.47Å |
| 133 | G | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.4 | -42.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F129 F130 A131 A136 L137 | F129-G133 PolarHBondContact O-N 3.49Å; F130-G133 WeakPolarHBondContact O-CA 3.42Å; F130-G133 PolarHBondContact O-N 2.97Å; F130-G133 VanDerWaalsContact O-N 3.08Å; A131-G133 VanDerWaalsContact C-N 3.29Å; A131-G133 PolarHBondContact O-N 3.19Å; G133-A136 PolarHBondContact O-N 3.45Å; G133-L137 WeakPolarHBondContact O-CG 3.5Å; G133-L137 PolarHBondContact O-N 3.38Å |
| 134 | C | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.5 | -37.2 | 173.3 | -68.5 | 0 | 0 | 0 | 0 | 112.4 | F130 A131 L132 L137 G138 S144 H147 | F130-C134 PolarHBondContact O-N 3.13Å; A131-C134 WeakPolarHBondContact O-CA 3.4Å; A131-C134 WeakPolarHBondContact O-CB 3.18Å; A131-C134 PolarHBondContact O-N 3.33Å; A131-C134 VanDerWaalsContact O-N 3.08Å; L132-C134 VanDerWaalsContact C-N 3.3Å; L132-C134 PolarHBondContact O-N 3.15Å; C134-L137 WeakPolarHBondContact O-CB 3.34Å; C134-L137 PolarHBondContact O-N 3.31Å; C134-L137 VanDerWaalsContact O-N 3.16Å; C134-G138 PolarHBondContact O-N 2.97Å; C134-S144 WeakPolarHBondContact CB-O 3.42Å; C134-H147 HydrophobicContact CB-CB 4.22Å |
| 135 | S | 92.3 | Very high | 92.2 | Very high | 38 Ų | 38 | 28.5 Ų | 28.5 | 27% | 0.266 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 173.8 | -176.7 | 0 | 0 | 0 | 0 | 112.8 | A131 L132 L137 G138 G139 S144 | A131-S135 PolarHBondContact O-N 3.13Å; L132-S135 WeakPolarHBondContact O-CB 3.39Å; L132-S135 PolarHBondContact O-N 3.02Å; L132-S135 VanDerWaalsContact O-N 3.15Å; S135-L137 PolarHBondContact O-N 3.21Å; S135-L137 VanDerWaalsContact O-N 3.15Å; S135-G138 PolarHBondContact O-N 3.39Å; S135-G139 PolarHBondContact O-N 2.95Å; S135-S144 VanDerWaalsContact CA-OG 3.24Å; S135-S144 WeakPolarHBondContact CA-OG 3.47Å |
| 136 | A | 91.1 | Very high | 92.1 | Very high | 32 Ų | 32 | 32.4 Ų | 32.4 | 26% | 0.264 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.8 | -19.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | L114 L132 G133 | L114-A136 HydrophobicContact CD2-CB 4.08Å; L132-A136 PolarHBondContact O-N 2.77Å; G133-A136 PolarHBondContact O-N 3.45Å |
| 137 | L | 89.4 | Confident | 92.1 | Very high | 39 Ų | 39 | 34 Ų | 34 | 20% | 0.204 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -86.8 | -42 | 174.5 | -68.2 | 170.7 | 0 | 0 | 0 | 112.5 | L74 P76 L79 G133 C134 S135 | L74-L137 HydrophobicContact CB-CD2 4.36Å; L74-L137 HydrophobicContact CD2-CD2 4.3Å; L74-L137 HydrophobicContact CD2-CG 4.22Å; L74-L137 HydrophobicContact CG-CD2 4.07Å; L74-L137 HydrophobicContact CG-CG 4.46Å; L74-L137 WeakPolarHBondContact O-CD2 3.4Å; P76-L137 HydrophobicContact CB-CD1 4.44Å; P76-L137 HydrophobicContact CG-CD1 4.16Å; L79-L137 HydrophobicContact CB-CD1 4.46Å; L79-L137 HydrophobicContact CD2-CD1 3.81Å; G133-L137 WeakPolarHBondContact O-CG 3.5Å; G133-L137 PolarHBondContact O-N 3.38Å; C134-L137 WeakPolarHBondContact O-CB 3.34Å; C134-L137 PolarHBondContact O-N 3.31Å; C134-L137 VanDerWaalsContact O-N 3.16Å; S135-L137 PolarHBondContact O-N 3.21Å; S135-L137 VanDerWaalsContact O-N 3.15Å |
| 138 | G | 81.6 | Confident | 92.1 | Very high | 25 Ų | 25 | 32.1 Ų | 32.1 | 26% | 0.258 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -93.9 | -32.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | C134 S135 S140 S143 | C134-G138 PolarHBondContact O-N 2.97Å; S135-G138 PolarHBondContact O-N 3.39Å; G138-S140 PolarHBondContact O-N 2.99Å; G138-S143 WeakPolarHBondContact CA-OG 3.47Å; G138-S143 PolarHBondContact O-OG 2.73Å |
| 139 | G | 83.3 | Confident | 92 | Very high | 73 Ų | 73 | 30.7 Ų | 30.7 | 75% | 0.753 | 19% | 0.194 | S | C | * | . | S | Bend | trans | 69.6 | 1.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | S135 | S135-G139 PolarHBondContact O-N 2.95Š|
| 140 | S | 89 | Confident | 91.9 | Very high | 61 Ų | 61 | 34.4 Ų | 34.4 | 43% | 0.427 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -147.3 | 154.2 | 170.6 | 65.4 | 0 | 0 | 0 | 0 | 110.7 | G138 I142 S143 S144 | G138-S140 PolarHBondContact O-N 2.99Å; S140-I142 VanDerWaalsContact C-N 3.32Å; S140-I142 PolarHBondContact O-N 3.18Å; S140-S143 PolarHBondContact N-OG 3.32Å; S140-S143 VanDerWaalsContact N-OG 3.13Å; S140-S143 PolarHBondContact O-N 3.45Å; S140-S143 PolarHBondContact O-OG 2.82Å; S140-S143 WeakPolarHBondContact OG-CB 3.38Å; S140-S143 PolarHBondContact OG-N 3.39Å; S140-S143 PolarHBondContact OG-OG 3.01Å; S140-S144 WeakPolarHBondContact O-CB 3.39Å; S140-S144 PolarHBondContact O-N 3.33Å; S140-S144 PolarHBondContact O-OG 3.34Å |
| 141 | L | 90.2 | Very high | 91.8 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -50.4 | -48.9 | -179.4 | -178 | 58 | 0 | 0 | 0 | 112.9 | S143 S144 M145 Y172 L175 A176 | L141-S143 PolarHBondContact O-N 3.35Å; L141-S144 WeakPolarHBondContact O-CB 3.24Å; L141-S144 PolarHBondContact O-N 3.33Å; L141-M145 HydrophobicContact CD1-CG 4.38Å; L141-M145 WeakPolarHBondContact O-CG 3.46Å; L141-M145 PolarHBondContact O-N 2.96Å; L141-Y172 HydrophobicContact CD1-CD2 4.47Å; L141-Y172 HydrophobicContact CD2-CD2 4.43Å; L141-Y172 HydrophobicContact CD2-CE1 4.11Å; L141-Y172 HydrophobicContact CD2-CE2 3.74Å; L141-Y172 HydrophobicContact CG-CD2 4.43Å; L141-Y172 HydrophobicContact CG-CE2 4.02Å; L141-L175 HydrophobicContact CD1-CB 3.4Å; L141-L175 VanDerWaalsContact CD1-CB 3.4Å; L141-L175 HydrophobicContact CD1-CD1 4.24Å; L141-L175 HydrophobicContact CD1-CG 4.47Å; L141-A176 HydrophobicContact CD2-CB 4.18Å |
| 142 | I | 90.6 | Very high | 91.7 | Very high | 140 Ų | 140 | 36.4 Ų | 36.4 | 72% | 0.718 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -61.3 | -47.9 | -179 | -61.1 | 175.5 | 0 | 0 | 0 | 111.7 | S140 S144 M145 K146 | S140-I142 VanDerWaalsContact C-N 3.32Å; S140-I142 PolarHBondContact O-N 3.18Å; I142-S144 VanDerWaalsContact C-N 3.31Å; I142-S144 PolarHBondContact O-N 3.49Å; I142-M145 PolarHBondContact O-N 3.25Å; I142-K146 PolarHBondContact O-N 2.88Å |
| 143 | S | 90.9 | Very high | 91.6 | Very high | 26 Ų | 26 | 37.4 Ų | 37.4 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66 | -34.4 | 179.1 | 60.5 | 0 | 0 | 0 | 0 | 112.7 | G138 S140 L141 K146 H147 | G138-S143 WeakPolarHBondContact CA-OG 3.47Å; G138-S143 PolarHBondContact O-OG 2.73Å; S140-S143 PolarHBondContact N-OG 3.32Å; S140-S143 VanDerWaalsContact N-OG 3.13Å; S140-S143 PolarHBondContact O-N 3.45Å; S140-S143 PolarHBondContact O-OG 2.82Å; S140-S143 WeakPolarHBondContact OG-CB 3.38Å; S140-S143 PolarHBondContact OG-N 3.39Å; S140-S143 PolarHBondContact OG-OG 3.01Å; L141-S143 PolarHBondContact O-N 3.35Å; S143-K146 WeakPolarHBondContact O-CB 3.39Å; S143-K146 PolarHBondContact O-N 3.5Å; S143-H147 PolarHBondContact O-CD2 2.98Å; S143-H147 PolarHBondContact O-N 3.42Å |
| 144 | S | 93.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 175.8 | -49.3 | 0 | 0 | 0 | 0 | 110.3 | C134 S135 S140 L141 I142 K146 H147 A148 | C134-S144 WeakPolarHBondContact CB-O 3.42Å; S135-S144 VanDerWaalsContact CA-OG 3.24Å; S135-S144 WeakPolarHBondContact CA-OG 3.47Å; S140-S144 WeakPolarHBondContact O-CB 3.39Å; S140-S144 PolarHBondContact O-N 3.33Å; S140-S144 PolarHBondContact O-OG 3.34Å; L141-S144 WeakPolarHBondContact O-CB 3.24Å; L141-S144 PolarHBondContact O-N 3.33Å; I142-S144 VanDerWaalsContact C-N 3.31Å; I142-S144 PolarHBondContact O-N 3.49Å; S144-K146 VanDerWaalsContact C-N 3.29Å; S144-K146 PolarHBondContact O-N 2.92Å; S144-H147 WeakPolarHBondContact O-CB 3.32Å; S144-H147 PolarHBondContact O-N 3.38Å; S144-H147 VanDerWaalsContact O-N 3.15Å; S144-A148 PolarHBondContact O-N 2.83Å |
| 145 | M | 94.2 | Very high | 90.9 | Very high | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.039 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.5 | -35.8 | 176.4 | -69.9 | -55 | -61.4 | 0 | 0 | 112.3 | L141 I142 A148 C149 F168 L171 Y172 L175 | L141-M145 HydrophobicContact CD1-CG 4.38Å; L141-M145 WeakPolarHBondContact O-CG 3.46Å; L141-M145 PolarHBondContact O-N 2.96Å; I142-M145 PolarHBondContact O-N 3.25Å; M145-A148 PolarHBondContact O-N 3.44Å; M145-C149 PolarHBondContact O-N 2.97Å; M145-C149 PolarHBondContact O-SG 3.01Å; M145-F168 HydrophobicContact CB-CE2 4.32Å; M145-F168 HydrophobicContact CE-CB 4.5Å; M145-F168 HydrophobicContact CE-CD1 4.12Å; M145-F168 HydrophobicContact CE-CD2 3.34Å; M145-F168 HydrophobicContact CE-CE1 4.1Å; M145-F168 HydrophobicContact CE-CE2 3.33Å; M145-F168 HydrophobicContact CE-CG 3.74Å; M145-F168 HydrophobicContact CE-CZ 3.73Å; M145-F168 WeakPolarHBondContact CE-O 3.5Å; M145-L171 HydrophobicContact CE-CB 4.03Å; M145-L171 HydrophobicContact SD-CB 3.96Å; M145-Y172 HydrophobicContact CG-CD2 4.01Å; M145-L175 HydrophobicContact SD-CD1 4.11Å |
| 146 | K | 93.1 | Very high | 90.5 | Very high | 129 Ų | 129 | 52.5 Ų | 52.5 | 56% | 0.561 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.7 | -47.9 | 172.1 | -176.9 | 179 | 172.6 | -178.6 | 0 | 111.5 | I142 S143 S144 A148 C149 E150 | I142-K146 PolarHBondContact O-N 2.88Å; S143-K146 WeakPolarHBondContact O-CB 3.39Å; S143-K146 PolarHBondContact O-N 3.5Å; S144-K146 VanDerWaalsContact C-N 3.29Å; S144-K146 PolarHBondContact O-N 2.92Å; K146-A148 VanDerWaalsContact C-N 3.34Å; K146-A148 PolarHBondContact O-N 2.8Å; K146-C149 PolarHBondContact O-N 3.48Å; K146-E150 WeakPolarHBondContact CE-OE1 3.49Å; K146-E150 IonicContact NZ-OE1 2.9Å; K146-E150 WeakPolarHBondContact O-CB 3.2Å; K146-E150 WeakPolarHBondContact O-CG 3.5Å; K146-E150 PolarHBondContact O-N 3.28Å |
| 147 | H | 93.4 | Very high | 89.7 | Confident | 36 Ų | 36 | 57.9 Ų | 57.9 | 17% | 0.167 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 175.4 | -71 | -52.2 | 0 | 0 | 0 | 112.3 | C134 S143 S144 E150 I151 | C134-H147 HydrophobicContact CB-CB 4.22Å; S143-H147 PolarHBondContact O-CD2 2.98Å; S143-H147 PolarHBondContact O-N 3.42Å; S144-H147 WeakPolarHBondContact O-CB 3.32Å; S144-H147 PolarHBondContact O-N 3.38Å; S144-H147 VanDerWaalsContact O-N 3.15Å; H147-E150 IonicContact ND1-OE2 3.66Å; H147-E150 PolarHBondContact O-N 3.22Å; H147-I151 WeakPolarHBondContact O-CB 3.44Å; H147-I151 WeakPolarHBondContact O-CD1 2.94Å; H147-I151 WeakPolarHBondContact O-CG1 3.43Å; H147-I151 PolarHBondContact O-N 3.26Å |
| 148 | A | 95.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.008 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.7 | -49.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F130 S144 M145 K146 E150 I151 L152 L171 | F130-A148 HydrophobicContact CE1-CB 3.96Å; S144-A148 PolarHBondContact O-N 2.83Å; M145-A148 PolarHBondContact O-N 3.44Å; K146-A148 VanDerWaalsContact C-N 3.34Å; K146-A148 PolarHBondContact O-N 2.8Å; A148-E150 PolarHBondContact O-N 3.31Å; A148-I151 PolarHBondContact O-N 3.31Å; A148-L152 VanDerWaalsContact O-CB 3.28Å; A148-L152 WeakPolarHBondContact O-CB 3.23Å; A148-L152 VanDerWaalsContact O-CG 3.24Å; A148-L152 WeakPolarHBondContact O-CG 3.26Å; A148-L152 PolarHBondContact O-N 2.92Å; A148-L171 HydrophobicContact CB-CD1 4.02Å |
| 149 | C | 94.6 | Very high | 89.1 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 14% | 0.135 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 176.5 | -69.6 | 0 | 0 | 0 | 0 | 112.3 | M145 K146 I151 L152 T153 S161 | M145-C149 PolarHBondContact O-N 2.97Å; M145-C149 PolarHBondContact O-SG 3.01Å; K146-C149 PolarHBondContact O-N 3.48Å; C149-I151 VanDerWaalsContact C-N 3.27Å; C149-I151 PolarHBondContact O-N 3.15Å; C149-L152 PolarHBondContact O-N 2.81Å; C149-T153 WeakPolarHBondContact O-CB 3.43Å; C149-T153 WeakPolarHBondContact O-CG2 3.42Å; C149-T153 PolarHBondContact O-N 2.77Å; C149-S161 WeakPolarHBondContact CB-O 3.35Å |
| 150 | E | 93 | Very high | 89.3 | Confident | 78 Ų | 78 | 61.1 Ų | 61.1 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.6 | -30.7 | 179.9 | -73.6 | 174.4 | 175.1 | 0 | 0 | 113.2 | K146 H147 A148 | K146-E150 WeakPolarHBondContact CE-OE1 3.49Å; K146-E150 IonicContact NZ-OE1 2.9Å; K146-E150 WeakPolarHBondContact O-CB 3.2Å; K146-E150 WeakPolarHBondContact O-CG 3.5Å; K146-E150 PolarHBondContact O-N 3.28Å; H147-E150 IonicContact ND1-OE2 3.66Å; H147-E150 PolarHBondContact O-N 3.22Å; A148-E150 PolarHBondContact O-N 3.31Å |
| 151 | I | 93.3 | Very high | 89.4 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 5% | 0.046 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -84.2 | -41.1 | -179.6 | -68 | 165.4 | 0 | 0 | 0 | 111.8 | P76 L79 K80 F130 H147 A148 C149 | P76-I151 HydrophobicContact CB-CD1 4.27Å; P76-I151 HydrophobicContact CB-CG1 4.4Å; L79-I151 HydrophobicContact CB-CD1 4.13Å; L79-I151 HydrophobicContact CD2-CD1 3.84Å; L79-I151 HydrophobicContact CG-CD1 4.15Å; K80-I151 HydrophobicContact CB-CG2 3.78Å; K80-I151 HydrophobicContact CG-CG2 3.97Å; F130-I151 HydrophobicContact CE2-CB 4.24Å; F130-I151 HydrophobicContact CE2-CD1 4.23Å; F130-I151 HydrophobicContact CE2-CG2 3.62Å; F130-I151 HydrophobicContact CZ-CB 3.94Å; F130-I151 HydrophobicContact CZ-CD1 4.26Å; F130-I151 HydrophobicContact CZ-CG2 3.75Å; H147-I151 WeakPolarHBondContact O-CB 3.44Å; H147-I151 WeakPolarHBondContact O-CD1 2.94Å; H147-I151 WeakPolarHBondContact O-CG1 3.43Å; H147-I151 PolarHBondContact O-N 3.26Å; A148-I151 PolarHBondContact O-N 3.31Å; C149-I151 VanDerWaalsContact C-N 3.27Å; C149-I151 PolarHBondContact O-N 3.15Å |
| 152 | L | 94.1 | Very high | 89.4 | Confident | 33 Ų | 33 | 65 Ų | 65 | 17% | 0.173 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -85.3 | -19.9 | -174.3 | -65.3 | 176 | 0 | 0 | 0 | 113.7 | H83 M127 F130 A148 C149 I163 T167 L171 | H83-L152 WeakPolarHBondContact CE1-CD2 3.37Å; H83-L152 WeakPolarHBondContact NE2-CD2 3.35Å; M127-L152 HydrophobicContact CE-CD1 3.96Å; M127-L152 HydrophobicContact CE-CD2 4.38Å; F130-L152 HydrophobicContact CE1-CD1 3.71Å; F130-L152 HydrophobicContact CE1-CD2 4.02Å; F130-L152 HydrophobicContact CE1-CG 3.8Å; F130-L152 HydrophobicContact CZ-CD1 4.24Å; F130-L152 HydrophobicContact CZ-CD2 3.93Å; F130-L152 HydrophobicContact CZ-CG 3.8Å; A148-L152 VanDerWaalsContact O-CB 3.28Å; A148-L152 WeakPolarHBondContact O-CB 3.23Å; A148-L152 VanDerWaalsContact O-CG 3.24Å; A148-L152 WeakPolarHBondContact O-CG 3.26Å; A148-L152 PolarHBondContact O-N 2.92Å; C149-L152 PolarHBondContact O-N 2.81Å; L152-I163 HydrophobicContact CB-CG2 3.8Å; L152-I163 HydrophobicContact CD1-CD1 4.47Å; L152-T167 HydrophobicContact CD1-CG2 3.95Å; L152-L171 HydrophobicContact CD1-CD1 3.7Å |
| 153 | T | 92.2 | Very high | 89.6 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 14% | 0.135 | 33% | 0.333 | C | S | . | . | trans | -60.1 | 145 | -177.8 | -175.6 | 0 | 0 | 0 | 0 | 112.9 | C149 D155 S161 R162 | C149-T153 WeakPolarHBondContact O-CB 3.43Å; C149-T153 WeakPolarHBondContact O-CG2 3.42Å; C149-T153 PolarHBondContact O-N 2.77Å; T153-D155 VanDerWaalsContact OG1-CB 3.29Å; T153-D155 WeakPolarHBondContact OG1-CB 3.3Å; T153-D155 PolarHBondContact OG1-N 2.86Å; T153-S161 WeakPolarHBondContact OG1-CA 3.43Å; T153-R162 PolarHBondContact OG1-N 3.18Å; T153-R162 PolarHBondContact OG1-O 3.13Å | ||
| 154 | T | 87.5 | Confident | 89.7 | Confident | 142 Ų | 142 | 62.6 Ų | 62.6 | 87% | 0.871 | 35% | 0.351 | S | S | * | . | trans | -98.8 | -2.8 | 167.3 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 155 | D | 87.6 | Confident | 89.7 | Confident | 38 Ų | 38 | 64.3 Ų | 64.3 | 20% | 0.203 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -60.6 | 155.4 | 173.5 | -72.2 | -40.5 | 0 | 0 | 0 | 110.7 | T153 P160 S161 R162 | T153-D155 VanDerWaalsContact OG1-CB 3.29Å; T153-D155 WeakPolarHBondContact OG1-CB 3.3Å; T153-D155 PolarHBondContact OG1-N 2.86Å; D155-P160 WeakPolarHBondContact OD2-CG 3.42Å; D155-S161 PolarHBondContact OD2-N 2.83Å; D155-R162 IonicContact OD1-CZ 3.93Å; D155-R162 IonicContact OD1-NE 2.61Å; D155-R162 PolarHBondContact OD1-NE 3.41Å; D155-R162 IonicContact OD1-NH2 3.8Å; D155-R162 PolarHBondContact OD1-NH2 3.5Å; D155-R162 WeakPolarHBondContact OD2-CB 3.37Å; D155-R162 IonicContact OD2-CZ 3.96Å; D155-R162 PolarHBondContact OD2-N 3.47Å; D155-R162 IonicContact OD2-NE 3.81Å; D155-R162 PolarHBondContact OD2-NE 2.76Å; D155-R162 VanDerWaalsContact OD2-NE 3.13Å; D155-R162 IonicContact OD2-NH2 3.52Å |
| 156 | E | 82.9 | Confident | 89.6 | Confident | 175 Ų | 175 | 69.8 Ų | 69.8 | 82% | 0.818 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 154.7 | 171.4 | -63.7 | -171.4 | 168.2 | 0 | 0 | 111.6 | G158 G159 | E156-G158 PolarHBondContact O-N 3.3Å; E156-G159 WeakPolarHBondContact O-CA 3.18Å; E156-G159 PolarHBondContact O-N 3.15Å |
| 157 | E | 75.3 | Confident | 89.6 | Confident | 144 Ų | 144 | 65.6 Ų | 65.6 | 67% | 0.673 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 130.8 | -178.8 | -165.5 | 176 | 156.1 | 0 | 0 | 111.3 | R60 | R60-E157 VanDerWaalsContact CD-OE1 3.29Å; R60-E157 WeakPolarHBondContact CD-OE1 3.49Å; R60-E157 IonicContact CZ-OE1 2.71Å; R60-E157 IonicContact NE-OE1 3.97Å; R60-E157 PolarHBondContact NE-OE1 3.27Å; R60-E157 IonicContact NE-OE2 3.9Å; R60-E157 IonicContact NH1-OE1 2.74Å; R60-E157 PolarHBondContact NH1-OE1 3.49Å; R60-E157 IonicContact NH2-OE1 2.55Å |
| 158 | G | 76.3 | Confident | 89.7 | Confident | 85 Ų | 85 | 65.6 Ų | 65.6 | 88% | 0.876 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | -0.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E156 | E156-G158 PolarHBondContact O-N 3.3Š|
| 159 | G | 82.4 | Confident | 89.6 | Confident | 31 Ų | 31 | 66.4 Ų | 66.4 | 32% | 0.32 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -72.4 | -178.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E156 S161 | E156-G159 WeakPolarHBondContact O-CA 3.18Å; E156-G159 PolarHBondContact O-N 3.15Å; G159-S161 PolarHBondContact O-N 3.28Å; G159-S161 VanDerWaalsContact O-N 3.07Å; G159-S161 PolarHBondContact O-OG 2.61Å |
| 160 | P | 86.7 | Confident | 89.6 | Confident | 90 Ų | 90 | 69.1 Ų | 69.1 | 58% | 0.584 | 39% | 0.389 | S | S | * | . | trans | -72.1 | -1.6 | -173 | 29.2 | -34.1 | 0 | 0 | 0 | 114.6 | D155 R162 | D155-P160 WeakPolarHBondContact OD2-CG 3.42Å; P160-R162 HydrophobicContact CB-CG 4.22Å; P160-R162 HydrophobicContact CG-CG 4Å; P160-R162 PolarHBondContact O-N 3.4Å | ||
| 161 | S | 91 | Very high | 89.7 | Confident | 28 Ų | 28 | 65.4 Ų | 65.4 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | trans | 57.5 | 47.4 | 176.9 | -56.8 | 0 | 0 | 0 | 0 | 113.6 | C149 T153 D155 G159 | C149-S161 WeakPolarHBondContact CB-O 3.35Å; T153-S161 WeakPolarHBondContact OG1-CA 3.43Å; D155-S161 PolarHBondContact OD2-N 2.83Å; G159-S161 PolarHBondContact O-N 3.28Å; G159-S161 VanDerWaalsContact O-N 3.07Å; G159-S161 PolarHBondContact O-OG 2.61Å | ||
| 162 | R | 90.8 | Very high | 89.8 | Confident | 128 Ų | 128 | 65.9 Ų | 65.9 | 48% | 0.483 | 37% | 0.373 | S | S | . | . | trans | -74.7 | 137.5 | -177.3 | -68.5 | 171.1 | -71.1 | -165 | -1.5 | 111.3 | T153 D155 P160 Y201 | T153-R162 PolarHBondContact OG1-N 3.18Å; T153-R162 PolarHBondContact OG1-O 3.13Å; D155-R162 IonicContact OD1-CZ 3.93Å; D155-R162 IonicContact OD1-NE 2.61Å; D155-R162 PolarHBondContact OD1-NE 3.41Å; D155-R162 IonicContact OD1-NH2 3.8Å; D155-R162 PolarHBondContact OD1-NH2 3.5Å; D155-R162 WeakPolarHBondContact OD2-CB 3.37Å; D155-R162 IonicContact OD2-CZ 3.96Å; D155-R162 PolarHBondContact OD2-N 3.47Å; D155-R162 IonicContact OD2-NE 3.81Å; D155-R162 PolarHBondContact OD2-NE 2.76Å; D155-R162 VanDerWaalsContact OD2-NE 3.13Å; D155-R162 IonicContact OD2-NH2 3.52Å; P160-R162 HydrophobicContact CB-CG 4.22Å; P160-R162 HydrophobicContact CG-CG 4Å; P160-R162 PolarHBondContact O-N 3.4Å; R162-Y201 PolarHBondContact NH1-OH 3.01Å | ||
| 163 | I | 94.3 | Very high | 89.7 | Confident | 31 Ų | 31 | 66.4 Ų | 66.4 | 16% | 0.159 | 38% | 0.378 | C | S | . | . | trans | -131.5 | 161 | 174 | 65.6 | 169.3 | 0 | 0 | 0 | 110.1 | L152 F168 | L152-I163 HydrophobicContact CB-CG2 3.8Å; L152-I163 HydrophobicContact CD1-CD1 4.47Å; I163-F168 HydrophobicContact CD1-CB 3.88Å; I163-F168 HydrophobicContact CD1-CD2 4.12Å; I163-F168 HydrophobicContact CG1-CB 4.14Å; I163-F168 HydrophobicContact CG1-CD2 4.48Å | ||
| 164 | P | 93 | Very high | 89.8 | Confident | 85 Ų | 85 | 66.6 Ų | 66.6 | 55% | 0.552 | 38% | 0.376 | S | S | * | . | trans | -57.3 | 139.5 | 174 | -23.9 | 34.7 | 0 | 0 | 0 | 111.9 | D166 T167 F168 | P164-D166 VanDerWaalsContact C-N 3.29Å; P164-D166 PolarHBondContact O-N 3.23Å; P164-T167 WeakPolarHBondContact O-CB 3.43Å; P164-T167 PolarHBondContact O-N 2.73Å; P164-F168 PolarHBondContact O-N 3.47Å | ||
| 165 | F | 92.3 | Very high | 90 | Very high | 37 Ų | 37 | 60.2 Ų | 60.2 | 16% | 0.162 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.9 | -38.9 | -179 | 175.9 | -96.4 | 0 | 0 | 0 | 112.3 | T167 F168 S169 L191 L194 Q195 V198 | F165-T167 VanDerWaalsContact C-N 3.32Å; F165-T167 PolarHBondContact O-N 2.86Å; F165-F168 PolarHBondContact O-N 3.15Å; F165-S169 WeakPolarHBondContact CE1-OG 3.41Å; F165-S169 WeakPolarHBondContact CZ-OG 3.34Å; F165-S169 WeakPolarHBondContact O-CB 3.43Å; F165-S169 PolarHBondContact O-N 3.43Å; F165-S169 PolarHBondContact O-OG 3.34Å; F165-L191 WeakPolarHBondContact CZ-O 3.34Å; F165-L194 HydrophobicContact CD2-CD2 4.44Å; F165-L194 HydrophobicContact CD2-CG 4.45Å; F165-L194 HydrophobicContact CE2-CB 4.16Å; F165-L194 HydrophobicContact CE2-CD2 4.08Å; F165-L194 HydrophobicContact CE2-CG 4.04Å; F165-Q195 HydrophobicContact CD1-CG 4.18Å; F165-Q195 HydrophobicContact CE1-CB 3.92Å; F165-Q195 HydrophobicContact CE1-CG 3.69Å; F165-Q195 HydrophobicContact CE2-CB 3.91Å; F165-Q195 HydrophobicContact CE2-CG 4.4Å; F165-Q195 HydrophobicContact CZ-CB 3.49Å; F165-Q195 VanDerWaalsContact CZ-CB 3.49Å; F165-Q195 HydrophobicContact CZ-CG 3.83Å; F165-V198 HydrophobicContact CD2-CG2 4.16Å |
| 166 | D | 92.8 | Very high | 90.2 | Very high | 123 Ų | 123 | 58.6 Ų | 58.6 | 66% | 0.658 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64.1 | -40.6 | 179.8 | -56.2 | -40.3 | 0 | 0 | 0 | 111.2 | P164 S169 H170 | P164-D166 VanDerWaalsContact C-N 3.29Å; P164-D166 PolarHBondContact O-N 3.23Å; D166-S169 PolarHBondContact O-N 3.45Å; D166-H170 WeakPolarHBondContact O-CB 3.39Å; D166-H170 PolarHBondContact O-N 3.45Å |
| 167 | T | 93.8 | Very high | 90.5 | Very high | 42 Ų | 42 | 56.2 Ų | 56.2 | 26% | 0.258 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 174.1 | -51.2 | 0 | 0 | 0 | 0 | 111.4 | M127 L152 P164 F165 S169 L171 | M127-T167 HydrophobicContact CE-CG2 3.75Å; L152-T167 HydrophobicContact CD1-CG2 3.95Å; P164-T167 WeakPolarHBondContact O-CB 3.43Å; P164-T167 PolarHBondContact O-N 2.73Å; F165-T167 VanDerWaalsContact C-N 3.32Å; F165-T167 PolarHBondContact O-N 2.86Å; T167-S169 VanDerWaalsContact C-N 3.34Å; T167-S169 PolarHBondContact O-N 3.41Å; T167-L171 HydrophobicContact CG2-CD1 4.11Å; T167-L171 VanDerWaalsContact O-CG 3.27Å; T167-L171 WeakPolarHBondContact O-CG 3.06Å; T167-L171 PolarHBondContact O-N 3.12Å; T167-L171 VanDerWaalsContact O-N 3.14Å |
| 168 | F | 94.7 | Very high | 91.2 | Very high | 36 Ų | 36 | 52 Ų | 52 | 16% | 0.158 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 176.4 | -177.7 | -83 | 0 | 0 | 0 | 111.3 | M145 I163 P164 F165 L171 Y172 F190 L191 L194 | M145-F168 HydrophobicContact CB-CE2 4.32Å; M145-F168 HydrophobicContact CE-CB 4.5Å; M145-F168 HydrophobicContact CE-CD1 4.12Å; M145-F168 HydrophobicContact CE-CD2 3.34Å; M145-F168 HydrophobicContact CE-CE1 4.1Å; M145-F168 HydrophobicContact CE-CE2 3.33Å; M145-F168 HydrophobicContact CE-CG 3.74Å; M145-F168 HydrophobicContact CE-CZ 3.73Å; M145-F168 WeakPolarHBondContact CE-O 3.5Å; I163-F168 HydrophobicContact CD1-CB 3.88Å; I163-F168 HydrophobicContact CD1-CD2 4.12Å; I163-F168 HydrophobicContact CG1-CB 4.14Å; I163-F168 HydrophobicContact CG1-CD2 4.48Å; P164-F168 PolarHBondContact O-N 3.47Å; F165-F168 PolarHBondContact O-N 3.15Å; F168-L171 PolarHBondContact O-N 3.27Å; F168-Y172 HydrophobicContact CE1-CD2 4.1Å; F168-Y172 HydrophobicContact CE1-CG 4.39Å; F168-Y172 HydrophobicContact CZ-CD2 4.24Å; F168-Y172 WeakPolarHBondContact O-CB 3.3Å; F168-Y172 PolarHBondContact O-N 2.81Å; F168-F190 HydrophobicContact CE1-CE1 4.17Å; F168-L191 HydrophobicContact CD1-CD2 4.31Å; F168-L191 HydrophobicContact CE1-CD2 4.31Å; F168-L194 HydrophobicContact CD1-CD2 3.81Å; F168-L194 HydrophobicContact CE1-CD2 3.53Å; F168-L194 HydrophobicContact CZ-CD2 4.19Å |
| 169 | S | 93.7 | Very high | 91.4 | Very high | 18 Ų | 18 | 51.9 Ų | 51.9 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -46.7 | -177.1 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | F165 D166 T167 L171 Y172 T173 | F165-S169 WeakPolarHBondContact CE1-OG 3.41Å; F165-S169 WeakPolarHBondContact CZ-OG 3.34Å; F165-S169 WeakPolarHBondContact O-CB 3.43Å; F165-S169 PolarHBondContact O-N 3.43Å; F165-S169 PolarHBondContact O-OG 3.34Å; D166-S169 PolarHBondContact O-N 3.45Å; T167-S169 VanDerWaalsContact C-N 3.34Å; T167-S169 PolarHBondContact O-N 3.41Å; S169-L171 PolarHBondContact O-N 3.27Å; S169-Y172 PolarHBondContact O-N 2.88Å; S169-T173 WeakPolarHBondContact O-CB 3.16Å; S169-T173 PolarHBondContact O-N 3.14Å; S169-T173 PolarHBondContact O-OG1 2.83Å; S169-T173 VanDerWaalsContact O-OG1 3.06Å |
| 170 | H | 94.5 | Very high | 91 | Very high | 76 Ų | 76 | 53.5 Ų | 53.5 | 35% | 0.352 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 176.8 | 176.1 | 58.8 | 0 | 0 | 0 | 112.3 | E128 D166 Y174 | E128-H170 IonicContact OE1-CE1 2.96Å; D166-H170 WeakPolarHBondContact O-CB 3.39Å; D166-H170 PolarHBondContact O-N 3.45Å; H170-Y174 WeakPolarHBondContact O-CB 3.31Å; H170-Y174 PolarHBondContact O-N 3.01Å; H170-Y174 VanDerWaalsContact O-N 3.12Å |
| 171 | L | 95 | Very high | 90.2 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.2 | -40.6 | 179.7 | -65.9 | 173.5 | 0 | 0 | 0 | 112.5 | M127 F130 A131 M145 A148 L152 T167 F168 S169 L175 | M127-L171 HydrophobicContact CB-CD2 4.4Å; M127-L171 HydrophobicContact CE-CD1 4.14Å; M127-L171 HydrophobicContact CE-CD2 4.09Å; M127-L171 HydrophobicContact CE-CG 4.39Å; M127-L171 VanDerWaalsContact O-CD2 3.27Å; M127-L171 WeakPolarHBondContact O-CD2 3.4Å; F130-L171 HydrophobicContact CD1-CD2 4.33Å; F130-L171 HydrophobicContact CE1-CD1 4.38Å; A131-L171 HydrophobicContact CB-CD2 3.67Å; M145-L171 HydrophobicContact CE-CB 4.03Å; M145-L171 HydrophobicContact SD-CB 3.96Å; A148-L171 HydrophobicContact CB-CD1 4.02Å; L152-L171 HydrophobicContact CD1-CD1 3.7Å; T167-L171 HydrophobicContact CG2-CD1 4.11Å; T167-L171 VanDerWaalsContact O-CG 3.27Å; T167-L171 WeakPolarHBondContact O-CG 3.06Å; T167-L171 PolarHBondContact O-N 3.12Å; T167-L171 VanDerWaalsContact O-N 3.14Å; F168-L171 PolarHBondContact O-N 3.27Å; S169-L171 PolarHBondContact O-N 3.27Å; L171-L175 WeakPolarHBondContact O-CB 3.48Å; L171-L175 WeakPolarHBondContact O-CG 3.38Å; L171-L175 PolarHBondContact O-N 3.41Å; L171-L175 VanDerWaalsContact O-N 3.08Å |
| 172 | Y | 93.9 | Very high | 89.3 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 8% | 0.075 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -51.1 | 178.9 | -173.8 | -79.8 | 0 | 0 | 0 | 111 | L141 M145 F168 S169 Y174 L175 A176 E182 T187 F190 L191 | L141-Y172 HydrophobicContact CD1-CD2 4.47Å; L141-Y172 HydrophobicContact CD2-CD2 4.43Å; L141-Y172 HydrophobicContact CD2-CE1 4.11Å; L141-Y172 HydrophobicContact CD2-CE2 3.74Å; L141-Y172 HydrophobicContact CG-CD2 4.43Å; L141-Y172 HydrophobicContact CG-CE2 4.02Å; M145-Y172 HydrophobicContact CG-CD2 4.01Å; F168-Y172 HydrophobicContact CE1-CD2 4.1Å; F168-Y172 HydrophobicContact CE1-CG 4.39Å; F168-Y172 HydrophobicContact CZ-CD2 4.24Å; F168-Y172 WeakPolarHBondContact O-CB 3.3Å; F168-Y172 PolarHBondContact O-N 2.81Å; S169-Y172 PolarHBondContact O-N 2.88Å; Y172-Y174 PolarHBondContact O-N 3.07Å; Y172-L175 PolarHBondContact O-N 3.35Å; Y172-A176 HydrophobicContact CD1-CB 4.5Å; Y172-A176 HydrophobicContact CE1-CB 4.29Å; Y172-A176 WeakPolarHBondContact O-CB 3.41Å; Y172-A176 PolarHBondContact O-N 3.09Å; Y172-E182 PolarHBondContact OH-OE1 3.38Å; Y172-E182 PolarHBondContact OH-OE2 2.95Å; Y172-T187 HydrophobicContact CD1-CG2 3.68Å; Y172-T187 HydrophobicContact CE1-CG2 3.64Å; Y172-F190 HydrophobicContact CD2-CD1 4.49Å; Y172-F190 HydrophobicContact CD2-CE1 4.07Å; Y172-F190 HydrophobicContact CE1-CD1 4.07Å; Y172-F190 AromaticContact CE2-CD1 3.99Å; Y172-F190 HydrophobicContact CE2-CD1 3.99Å; Y172-F190 AromaticContact CE2-CE1 3.69Å; Y172-F190 HydrophobicContact CE2-CE1 3.69Å; Y172-F190 AromaticContact CZ-CD1 3.77Å; Y172-F190 AromaticContact CZ-CE1 3.98Å; Y172-L191 HydrophobicContact CD1-CD2 4.37Å; Y172-L191 HydrophobicContact CG-CD2 4.41Å |
| 173 | T | 93.1 | Very high | 88.6 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 27% | 0.27 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.2 | -49.6 | 179.7 | -62.1 | 0 | 0 | 0 | 0 | 111 | S169 L175 A176 E177 L191 | S169-T173 WeakPolarHBondContact O-CB 3.16Å; S169-T173 PolarHBondContact O-N 3.14Å; S169-T173 PolarHBondContact O-OG1 2.83Å; S169-T173 VanDerWaalsContact O-OG1 3.06Å; T173-L175 VanDerWaalsContact C-N 3.35Å; T173-L175 PolarHBondContact O-N 2.81Å; T173-A176 PolarHBondContact O-N 2.6Å; T173-E177 WeakPolarHBondContact CG2-OE1 3.29Å; T173-E177 WeakPolarHBondContact O-CG 3.4Å; T173-E177 PolarHBondContact O-N 2.92Å; T173-L191 WeakPolarHBondContact OG1-CD1 3.29Å |
| 174 | Y | 94 | Very high | 87.8 | Confident | 26 Ų | 26 | 61.3 Ų | 61.3 | 10% | 0.102 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.5 | -43 | 179.4 | 175.5 | -102.8 | 0 | 0 | 0 | 112.7 | F120 E128 A131 L132 H170 Y172 I178 | F120-Y174 WeakPolarHBondContact CZ-OH 3.38Å; E128-Y174 HydrophobicContact CB-CD1 4.18Å; E128-Y174 HydrophobicContact CB-CD2 4.26Å; E128-Y174 HydrophobicContact CB-CE1 3.72Å; E128-Y174 HydrophobicContact CB-CE2 3.81Å; E128-Y174 HydrophobicContact CB-CG 4.42Å; E128-Y174 HydrophobicContact CG-CD1 4.25Å; E128-Y174 HydrophobicContact CG-CD2 3.74Å; E128-Y174 HydrophobicContact CG-CE1 4.22Å; E128-Y174 HydrophobicContact CG-CE2 3.71Å; E128-Y174 HydrophobicContact CG-CG 4.01Å; E128-Y174 WeakPolarHBondContact O-CE1 3.44Å; A131-Y174 HydrophobicContact CB-CD1 3.77Å; A131-Y174 HydrophobicContact CB-CE1 4.09Å; L132-Y174 HydrophobicContact CD2-CE1 4.02Å; L132-Y174 HydrophobicContact CG-CE1 4.01Å; H170-Y174 WeakPolarHBondContact O-CB 3.31Å; H170-Y174 PolarHBondContact O-N 3.01Å; H170-Y174 VanDerWaalsContact O-N 3.12Å; Y172-Y174 PolarHBondContact O-N 3.07Å; Y174-I178 HydrophobicContact CD1-CD1 3.77Å; Y174-I178 HydrophobicContact CD2-CD1 4.14Å; Y174-I178 HydrophobicContact CE1-CD1 3.24Å; Y174-I178 HydrophobicContact CE2-CD1 3.67Å; Y174-I178 HydrophobicContact CG-CD1 4.19Å; Y174-I178 WeakPolarHBondContact O-CD1 3.46Å; Y174-I178 WeakPolarHBondContact O-CG1 3.41Å; Y174-I178 PolarHBondContact O-N 3.46Å; Y174-I178 WeakPolarHBondContact OH-CD1 3.24Å |
| 175 | L | 92.6 | Very high | 87.1 | Confident | 8 Ų | 8 | 62.9 Ų | 62.9 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.3 | -37.3 | 178 | -73.3 | 176.5 | 0 | 0 | 0 | 112.9 | A131 L132 L141 M145 L171 Y172 T173 I178 D179 | A131-L175 HydrophobicContact CB-CD1 4.15Å; A131-L175 HydrophobicContact CB-CD2 3.9Å; A131-L175 HydrophobicContact CB-CG 3.87Å; L132-L175 HydrophobicContact CD2-CD2 4.31Å; L141-L175 HydrophobicContact CD1-CB 3.4Å; L141-L175 VanDerWaalsContact CD1-CB 3.4Å; L141-L175 HydrophobicContact CD1-CD1 4.24Å; L141-L175 HydrophobicContact CD1-CG 4.47Å; M145-L175 HydrophobicContact SD-CD1 4.11Å; L171-L175 WeakPolarHBondContact O-CB 3.48Å; L171-L175 WeakPolarHBondContact O-CG 3.38Å; L171-L175 PolarHBondContact O-N 3.41Å; L171-L175 VanDerWaalsContact O-N 3.08Å; Y172-L175 PolarHBondContact O-N 3.35Å; T173-L175 VanDerWaalsContact C-N 3.35Å; T173-L175 PolarHBondContact O-N 2.81Å; L175-I178 PolarHBondContact O-N 3.43Å; L175-D179 WeakPolarHBondContact O-CB 3.36Å; L175-D179 PolarHBondContact O-N 2.77Å |
| 176 | A | 91.5 | Very high | 86.6 | Confident | 3 Ų | 3 | 66.8 Ų | 66.8 | 3% | 0.025 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L141 Y172 T173 I178 D179 G180 T187 | L141-A176 HydrophobicContact CD2-CB 4.18Å; Y172-A176 HydrophobicContact CD1-CB 4.5Å; Y172-A176 HydrophobicContact CE1-CB 4.29Å; Y172-A176 WeakPolarHBondContact O-CB 3.41Å; Y172-A176 PolarHBondContact O-N 3.09Å; T173-A176 PolarHBondContact O-N 2.6Å; A176-I178 VanDerWaalsContact C-N 3.32Å; A176-I178 PolarHBondContact O-N 3.49Å; A176-D179 PolarHBondContact O-N 2.85Å; A176-G180 PolarHBondContact O-N 2.85Å; A176-G180 VanDerWaalsContact O-N 3.08Å; A176-T187 HydrophobicContact CB-CG2 4.42Å |
| 177 | E | 89.9 | Confident | 86.2 | Confident | 125 Ų | 125 | 61.3 Ų | 61.3 | 58% | 0.584 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61 | -39.4 | 174.8 | -74 | 173.1 | -169.4 | 0 | 0 | 112.4 | T173 | T173-E177 WeakPolarHBondContact CG2-OE1 3.29Å; T173-E177 WeakPolarHBondContact O-CG 3.4Å; T173-E177 PolarHBondContact O-N 2.92Å |
| 178 | I | 88.1 | Confident | 85.9 | Confident | 56 Ų | 56 | 65.8 Ų | 65.8 | 29% | 0.287 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -74.1 | -38.6 | 179.9 | -71.2 | 161.7 | 0 | 0 | 0 | 112.4 | L117 L132 Y174 L175 A176 G180 | L117-I178 HydrophobicContact CD1-CG2 3.88Å; L117-I178 HydrophobicContact CD2-CG2 4.31Å; L117-I178 HydrophobicContact CG-CG2 4.01Å; L132-I178 HydrophobicContact CD2-CD1 3.5Å; L132-I178 VanDerWaalsContact CD2-CD1 3.5Å; L132-I178 HydrophobicContact CD2-CG2 4.36Å; L132-I178 HydrophobicContact CG-CD1 4.47Å; Y174-I178 HydrophobicContact CD1-CD1 3.77Å; Y174-I178 HydrophobicContact CD2-CD1 4.14Å; Y174-I178 HydrophobicContact CE1-CD1 3.24Å; Y174-I178 HydrophobicContact CE2-CD1 3.67Å; Y174-I178 HydrophobicContact CG-CD1 4.19Å; Y174-I178 WeakPolarHBondContact O-CD1 3.46Å; Y174-I178 WeakPolarHBondContact O-CG1 3.41Å; Y174-I178 PolarHBondContact O-N 3.46Å; Y174-I178 WeakPolarHBondContact OH-CD1 3.24Å; L175-I178 PolarHBondContact O-N 3.43Å; A176-I178 VanDerWaalsContact C-N 3.32Å; A176-I178 PolarHBondContact O-N 3.49Å; I178-G180 VanDerWaalsContact C-N 3.27Å |
| 179 | D | 81 | Confident | 85.6 | Confident | 83 Ų | 83 | 68.9 Ų | 68.9 | 44% | 0.444 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.9 | -32.3 | 178.4 | -152.2 | 30.4 | 0 | 0 | 0 | 110.7 | L175 A176 E181 | L175-D179 WeakPolarHBondContact O-CB 3.36Å; L175-D179 PolarHBondContact O-N 2.77Å; A176-D179 PolarHBondContact O-N 2.85Å; D179-E181 PolarHBondContact O-N 2.97Å |
| 180 | G | 74.9 | Confident | 85.4 | Confident | 64 Ų | 64 | 72.1 Ų | 72.1 | 66% | 0.66 | 37% | 0.372 | S | S | * | . | trans | 66 | 3.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A176 I178 | A176-G180 PolarHBondContact O-N 2.85Å; A176-G180 VanDerWaalsContact O-N 3.08Å; I178-G180 VanDerWaalsContact C-N 3.27Å | ||
| 181 | E | 70.3 | Confident | 85.2 | Confident | 163 Ų | 163 | 69.4 Ų | 69.4 | 76% | 0.762 | 36% | 0.36 | S | S | * | . | trans | -86.2 | -27.2 | 179.4 | -66 | -161.2 | 161.2 | 0 | 0 | 112.6 | D179 | D179-E181 PolarHBondContact O-N 2.97Š| ||
| 182 | E | 70.8 | Confident | 85 | Confident | 68 Ų | 68 | 74 Ų | 74 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -97.6 | 124.9 | -179.6 | -71.4 | -165.5 | 170.8 | 0 | 0 | 111.8 | Y172 | Y172-E182 PolarHBondContact OH-OE1 3.38Å; Y172-E182 PolarHBondContact OH-OE2 2.95Å |
| 183 | P | 77.2 | Confident | 84.8 | Confident | 64 Ų | 64 | 78 Ų | 78 | 42% | 0.416 | 40% | 0.404 | S | S | . | . | trans | -62.1 | 139.6 | 169.8 | -17.6 | 29 | 0 | 0 | 0 | 111.2 | D185 Q186 T187 | P183-D185 PolarHBondContact O-N 3.49Å; P183-D185 VanDerWaalsContact O-N 3.11Å; P183-Q186 HydrophobicContact CB-CG 4.27Å; P183-Q186 HydrophobicContact CG-CG 4.13Å; P183-Q186 WeakPolarHBondContact O-CB 3.27Å; P183-Q186 PolarHBondContact O-N 3.43Å; P183-T187 PolarHBondContact O-N 3.15Å | ||
| 184 | E | 77.2 | Confident | 84.7 | Confident | 146 Ų | 146 | 77.7 Ų | 77.7 | 68% | 0.682 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -48.8 | -42.3 | 178 | -70.1 | 175.7 | -177 | 0 | 0 | 112.5 | Q186 T187 E188 | E184-Q186 VanDerWaalsContact C-N 3.27Å; E184-Q186 PolarHBondContact O-N 3.25Å; E184-T187 WeakPolarHBondContact O-CB 3.35Å; E184-T187 PolarHBondContact O-N 2.9Å; E184-E188 PolarHBondContact O-N 3.37Å |
| 185 | D | 78.6 | Confident | 84.6 | Confident | 118 Ų | 118 | 81.2 Ų | 81.2 | 63% | 0.631 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -58.6 | -35.2 | 177.3 | -68.6 | -35.2 | 0 | 0 | 0 | 113.1 | P183 N189 | P183-D185 PolarHBondContact O-N 3.49Å; P183-D185 VanDerWaalsContact O-N 3.11Å; D185-N189 VanDerWaalsContact O-CB 3.3Å; D185-N189 WeakPolarHBondContact O-CB 3.31Å; D185-N189 VanDerWaalsContact O-CG 3.24Å; D185-N189 PolarHBondContact O-N 3.12Å; D185-N189 VanDerWaalsContact O-N 3.14Å; D185-N189 PolarHBondContact O-ND2 2.87Å |
| 186 | Q | 82 | Confident | 84.3 | Confident | 119 Ų | 119 | 84.8 Ų | 84.8 | 56% | 0.556 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -73.7 | -40.8 | 179 | -66.2 | -170.9 | -5 | 0 | 0 | 111 | P183 E184 N189 F190 | P183-Q186 HydrophobicContact CB-CG 4.27Å; P183-Q186 HydrophobicContact CG-CG 4.13Å; P183-Q186 WeakPolarHBondContact O-CB 3.27Å; P183-Q186 PolarHBondContact O-N 3.43Å; E184-Q186 VanDerWaalsContact C-N 3.27Å; E184-Q186 PolarHBondContact O-N 3.25Å; Q186-N189 PolarHBondContact O-N 3.28Å; Q186-F190 WeakPolarHBondContact O-CB 3.45Å; Q186-F190 PolarHBondContact O-N 3.32Å |
| 187 | T | 84.5 | Confident | 84.2 | Confident | 9 Ų | 9 | 90.6 Ų | 90.6 | 6% | 0.055 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -60.9 | -48.9 | 175.2 | -58 | 0 | 0 | 0 | 0 | 111.3 | Y172 A176 P183 E184 N189 F190 L191 | Y172-T187 HydrophobicContact CD1-CG2 3.68Å; Y172-T187 HydrophobicContact CE1-CG2 3.64Å; A176-T187 HydrophobicContact CB-CG2 4.42Å; P183-T187 PolarHBondContact O-N 3.15Å; E184-T187 WeakPolarHBondContact O-CB 3.35Å; E184-T187 PolarHBondContact O-N 2.9Å; T187-N189 PolarHBondContact O-N 3.4Å; T187-F190 PolarHBondContact O-N 3.08Å; T187-L191 HydrophobicContact CG2-CD1 4.11Å; T187-L191 WeakPolarHBondContact O-CG 3.37Å; T187-L191 PolarHBondContact O-N 3.44Å |
| 188 | E | 86.3 | Confident | 84 | Confident | 135 Ų | 135 | 87 Ų | 87 | 63% | 0.631 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.3 | -44.5 | 178.4 | -72.3 | -169.2 | 170.2 | 0 | 0 | 112.2 | E184 F190 L191 H192 | E184-E188 PolarHBondContact O-N 3.37Å; E188-F190 VanDerWaalsContact C-N 3.35Å; E188-F190 PolarHBondContact O-N 2.98Å; E188-L191 PolarHBondContact O-N 3.34Å; E188-H192 WeakPolarHBondContact O-CB 3.36Å; E188-H192 PolarHBondContact O-N 2.83Å |
| 189 | N | 88.9 | Confident | 83.9 | Confident | 101 Ų | 101 | 92 Ų | 92 | 54% | 0.54 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 177.6 | -80.8 | -48.4 | 0 | 0 | 0 | 112 | D185 Q186 T187 H192 L193 | D185-N189 VanDerWaalsContact O-CB 3.3Å; D185-N189 WeakPolarHBondContact O-CB 3.31Å; D185-N189 VanDerWaalsContact O-CG 3.24Å; D185-N189 PolarHBondContact O-N 3.12Å; D185-N189 VanDerWaalsContact O-N 3.14Å; D185-N189 PolarHBondContact O-ND2 2.87Å; Q186-N189 PolarHBondContact O-N 3.28Å; T187-N189 PolarHBondContact O-N 3.4Å; N189-H192 PolarHBondContact O-N 2.96Å; N189-L193 VanDerWaalsContact O-CG 3.31Å; N189-L193 WeakPolarHBondContact O-CG 3.47Å; N189-L193 PolarHBondContact O-N 3.03Å |
| 190 | F | 89.4 | Confident | 84 | Confident | 86 Ų | 86 | 93.9 Ų | 93.9 | 38% | 0.377 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.3 | -49.7 | 176.1 | 173.2 | -105.9 | 0 | 0 | 0 | 111.6 | F168 Y172 Q186 T187 E188 H192 L193 L194 | F168-F190 HydrophobicContact CE1-CE1 4.17Å; Y172-F190 HydrophobicContact CD2-CD1 4.49Å; Y172-F190 HydrophobicContact CD2-CE1 4.07Å; Y172-F190 HydrophobicContact CE1-CD1 4.07Å; Y172-F190 AromaticContact CE2-CD1 3.99Å; Y172-F190 HydrophobicContact CE2-CD1 3.99Å; Y172-F190 AromaticContact CE2-CE1 3.69Å; Y172-F190 HydrophobicContact CE2-CE1 3.69Å; Y172-F190 AromaticContact CZ-CD1 3.77Å; Y172-F190 AromaticContact CZ-CE1 3.98Å; Q186-F190 WeakPolarHBondContact O-CB 3.45Å; Q186-F190 PolarHBondContact O-N 3.32Å; T187-F190 PolarHBondContact O-N 3.08Å; E188-F190 VanDerWaalsContact C-N 3.35Å; E188-F190 PolarHBondContact O-N 2.98Å; F190-H192 VanDerWaalsContact C-N 3.34Å; F190-H192 PolarHBondContact O-N 3.35Å; F190-L193 PolarHBondContact O-N 3.23Å; F190-L194 HydrophobicContact CE1-CD2 4.37Å; F190-L194 HydrophobicContact CZ-CD2 4.44Å; F190-L194 WeakPolarHBondContact O-CB 3.47Å; F190-L194 PolarHBondContact O-N 3.18Å |
| 191 | L | 90.9 | Very high | 84.4 | Confident | 19 Ų | 19 | 96.8 Ų | 96.8 | 10% | 0.099 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 179.6 | -70 | 176.3 | 0 | 0 | 0 | 111.9 | F165 F168 Y172 T173 T187 E188 L194 Q195 | F165-L191 WeakPolarHBondContact CZ-O 3.34Å; F168-L191 HydrophobicContact CD1-CD2 4.31Å; F168-L191 HydrophobicContact CE1-CD2 4.31Å; Y172-L191 HydrophobicContact CD1-CD2 4.37Å; Y172-L191 HydrophobicContact CG-CD2 4.41Å; T173-L191 WeakPolarHBondContact OG1-CD1 3.29Å; T187-L191 HydrophobicContact CG2-CD1 4.11Å; T187-L191 WeakPolarHBondContact O-CG 3.37Å; T187-L191 PolarHBondContact O-N 3.44Å; E188-L191 PolarHBondContact O-N 3.34Å; L191-L194 PolarHBondContact O-N 3.13Å; L191-Q195 WeakPolarHBondContact O-CB 3.44Å; L191-Q195 PolarHBondContact O-N 2.91Å |
| 192 | H | 90.1 | Very high | 84.9 | Confident | 98 Ų | 98 | 93 Ų | 93 | 45% | 0.454 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 176.3 | 176.8 | -106.7 | 0 | 0 | 0 | 112.2 | E188 N189 F190 L194 Q195 Q196 | E188-H192 WeakPolarHBondContact O-CB 3.36Å; E188-H192 PolarHBondContact O-N 2.83Å; N189-H192 PolarHBondContact O-N 2.96Å; F190-H192 VanDerWaalsContact C-N 3.34Å; F190-H192 PolarHBondContact O-N 3.35Å; H192-L194 VanDerWaalsContact C-N 3.33Å; H192-L194 PolarHBondContact O-N 3.11Å; H192-Q195 PolarHBondContact O-N 3.36Å; H192-Q196 PolarHBondContact CE1-NE2 2.95Å; H192-Q196 PolarHBondContact NE2-NE2 3.5Å; H192-Q196 WeakPolarHBondContact O-CG 3.02Å; H192-Q196 PolarHBondContact O-N 3.19Å; H192-Q196 VanDerWaalsContact O-N 3.13Å |
| 193 | L | 90.6 | Very high | 85.2 | Confident | 103 Ų | 103 | 97 Ų | 97 | 54% | 0.539 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 175.1 | -72.1 | 174.2 | 0 | 0 | 0 | 111.7 | N189 F190 Q196 Q197 | N189-L193 VanDerWaalsContact O-CG 3.31Å; N189-L193 WeakPolarHBondContact O-CG 3.47Å; N189-L193 PolarHBondContact O-N 3.03Å; F190-L193 PolarHBondContact O-N 3.23Å; L193-Q196 PolarHBondContact O-N 2.7Å; L193-Q197 WeakPolarHBondContact O-CG 3.25Å; L193-Q197 PolarHBondContact O-N 2.9Å |
| 194 | L | 90.3 | Very high | 85 | Confident | 38 Ų | 38 | 101.4 Ų | 101.4 | 20% | 0.199 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 177.5 | -173.5 | 64.6 | 0 | 0 | 0 | 111.3 | F165 F168 F190 L191 H192 Q196 Q197 V198 | F165-L194 HydrophobicContact CD2-CD2 4.44Å; F165-L194 HydrophobicContact CD2-CG 4.45Å; F165-L194 HydrophobicContact CE2-CB 4.16Å; F165-L194 HydrophobicContact CE2-CD2 4.08Å; F165-L194 HydrophobicContact CE2-CG 4.04Å; F168-L194 HydrophobicContact CD1-CD2 3.81Å; F168-L194 HydrophobicContact CE1-CD2 3.53Å; F168-L194 HydrophobicContact CZ-CD2 4.19Å; F190-L194 HydrophobicContact CE1-CD2 4.37Å; F190-L194 HydrophobicContact CZ-CD2 4.44Å; F190-L194 WeakPolarHBondContact O-CB 3.47Å; F190-L194 PolarHBondContact O-N 3.18Å; L191-L194 PolarHBondContact O-N 3.13Å; H192-L194 VanDerWaalsContact C-N 3.33Å; H192-L194 PolarHBondContact O-N 3.11Å; L194-Q196 VanDerWaalsContact C-N 3.3Å; L194-Q196 PolarHBondContact O-N 2.9Å; L194-Q197 WeakPolarHBondContact O-CB 3.38Å; L194-Q197 PolarHBondContact O-N 3.44Å; L194-V198 WeakPolarHBondContact O-CG2 3.41Å; L194-V198 PolarHBondContact O-N 3.03Å |
| 195 | Q | 90.7 | Very high | 84.7 | Confident | 99 Ų | 99 | 97.9 Ų | 97.9 | 46% | 0.463 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 177.2 | -161.9 | 178.5 | 28 | 0 | 0 | 111.8 | F165 L191 H192 Q197 V198 Y199 | F165-Q195 HydrophobicContact CD1-CG 4.18Å; F165-Q195 HydrophobicContact CE1-CB 3.92Å; F165-Q195 HydrophobicContact CE1-CG 3.69Å; F165-Q195 HydrophobicContact CE2-CB 3.91Å; F165-Q195 HydrophobicContact CE2-CG 4.4Å; F165-Q195 HydrophobicContact CZ-CB 3.49Å; F165-Q195 VanDerWaalsContact CZ-CB 3.49Å; F165-Q195 HydrophobicContact CZ-CG 3.83Å; L191-Q195 WeakPolarHBondContact O-CB 3.44Å; L191-Q195 PolarHBondContact O-N 2.91Å; H192-Q195 PolarHBondContact O-N 3.36Å; Q195-Q197 VanDerWaalsContact C-N 3.31Å; Q195-Q197 PolarHBondContact O-N 3.41Å; Q195-V198 PolarHBondContact O-N 3.45Å; Q195-Y199 WeakPolarHBondContact O-CB 3.28Å; Q195-Y199 PolarHBondContact O-N 2.86Å |
| 196 | Q | 88.1 | Confident | 83.8 | Confident | 84 Ų | 84 | 96.7 Ų | 96.7 | 39% | 0.393 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.8 | -38 | 175.6 | -69.6 | -175.3 | 3.6 | 0 | 0 | 112.4 | H192 L193 L194 K200 | H192-Q196 PolarHBondContact CE1-NE2 2.95Å; H192-Q196 PolarHBondContact NE2-NE2 3.5Å; H192-Q196 WeakPolarHBondContact O-CG 3.02Å; H192-Q196 PolarHBondContact O-N 3.19Å; H192-Q196 VanDerWaalsContact O-N 3.13Å; L193-Q196 PolarHBondContact O-N 2.7Å; L194-Q196 VanDerWaalsContact C-N 3.3Å; L194-Q196 PolarHBondContact O-N 2.9Å; Q196-K200 VanDerWaalsContact O-CG 3.31Å; Q196-K200 WeakPolarHBondContact O-CG 3.34Å; Q196-K200 PolarHBondContact O-N 3.48Å; Q196-K200 VanDerWaalsContact O-N 3.07Å |
| 197 | Q | 87.9 | Confident | 82 | Confident | 124 Ų | 124 | 93 Ų | 93 | 58% | 0.579 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.5 | -44.3 | 175.9 | -68.3 | 180 | -2.6 | 0 | 0 | 111.4 | L193 L194 Q195 Y199 K200 Y201 | L193-Q197 WeakPolarHBondContact O-CG 3.25Å; L193-Q197 PolarHBondContact O-N 2.9Å; L194-Q197 WeakPolarHBondContact O-CB 3.38Å; L194-Q197 PolarHBondContact O-N 3.44Å; Q195-Q197 VanDerWaalsContact C-N 3.31Å; Q195-Q197 PolarHBondContact O-N 3.41Å; Q197-Y199 VanDerWaalsContact C-N 3.33Å; Q197-Y199 PolarHBondContact O-N 3.38Å; Q197-K200 PolarHBondContact O-N 2.99Å; Q197-Y201 WeakPolarHBondContact O-CB 3.34Å; Q197-Y201 PolarHBondContact O-N 2.79Å |
| 198 | V | 86.6 | Confident | 80.2 | Confident | 49 Ų | 49 | 97.8 Ų | 97.8 | 30% | 0.297 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 175.7 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | F165 L194 Q195 K200 Y201 N202 | F165-V198 HydrophobicContact CD2-CG2 4.16Å; L194-V198 WeakPolarHBondContact O-CG2 3.41Å; L194-V198 PolarHBondContact O-N 3.03Å; Q195-V198 PolarHBondContact O-N 3.45Å; V198-K200 PolarHBondContact O-N 3.35Å; V198-Y201 PolarHBondContact O-N 3.19Å; V198-N202 WeakPolarHBondContact O-CB 3.27Å; V198-N202 VanDerWaalsContact O-CG 3.32Å; V198-N202 PolarHBondContact O-N 2.84Å |
| 199 | Y | 84.8 | Confident | 78.3 | Confident | 163 Ų | 163 | 100.9 Ų | 100.9 | 64% | 0.639 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.7 | -44.5 | 176.4 | -178.8 | -100.9 | 0 | 0 | 0 | 112.4 | Q195 Q197 N202 K203 | Q195-Y199 WeakPolarHBondContact O-CB 3.28Å; Q195-Y199 PolarHBondContact O-N 2.86Å; Q197-Y199 VanDerWaalsContact C-N 3.33Å; Q197-Y199 PolarHBondContact O-N 3.38Å; Y199-N202 PolarHBondContact O-N 3.06Å; Y199-K203 WeakPolarHBondContact O-CB 3.38Å; Y199-K203 PolarHBondContact O-N 3.43Å |
| 200 | K | 84.9 | Confident | 75.8 | Confident | 121 Ų | 121 | 107.7 Ų | 107.7 | 53% | 0.526 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 175.6 | -74.1 | 171.5 | -175.9 | 172.8 | 0 | 111.6 | Q196 Q197 V198 K203 M204 | Q196-K200 VanDerWaalsContact O-CG 3.31Å; Q196-K200 WeakPolarHBondContact O-CG 3.34Å; Q196-K200 PolarHBondContact O-N 3.48Å; Q196-K200 VanDerWaalsContact O-N 3.07Å; Q197-K200 PolarHBondContact O-N 2.99Å; V198-K200 PolarHBondContact O-N 3.35Å; K200-K203 PolarHBondContact O-N 3.26Å; K200-M204 WeakPolarHBondContact O-CG 3.43Å; K200-M204 PolarHBondContact O-N 3.42Å |
| 201 | Y | 82 | Confident | 75.1 | Confident | 126 Ų | 126 | 108.8 Ų | 108.8 | 49% | 0.494 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 178.6 | -179.4 | -93.8 | 0 | 0 | 0 | 111.7 | R162 Q197 V198 K203 M204 S205 | R162-Y201 PolarHBondContact NH1-OH 3.01Å; Q197-Y201 WeakPolarHBondContact O-CB 3.34Å; Q197-Y201 PolarHBondContact O-N 2.79Å; V198-Y201 PolarHBondContact O-N 3.19Å; Y201-K203 VanDerWaalsContact C-N 3.34Å; Y201-K203 PolarHBondContact O-N 2.9Å; Y201-M204 PolarHBondContact O-N 3.46Å; Y201-S205 WeakPolarHBondContact CE1-OG 3.42Å; Y201-S205 WeakPolarHBondContact O-CB 3.47Å; Y201-S205 PolarHBondContact O-N 3.42Å; Y201-S205 PolarHBondContact O-OG 3.01Å |
| 202 | N | 82.2 | Confident | 74.3 | Confident | 84 Ų | 84 | 113.5 Ų | 113.5 | 45% | 0.449 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.3 | -45.2 | 177.2 | -72.4 | -15.2 | 0 | 0 | 0 | 110.8 | V198 Y199 M204 S205 S206 | V198-N202 WeakPolarHBondContact O-CB 3.27Å; V198-N202 VanDerWaalsContact O-CG 3.32Å; V198-N202 PolarHBondContact O-N 2.84Å; Y199-N202 PolarHBondContact O-N 3.06Å; N202-M204 VanDerWaalsContact C-N 3.3Å; N202-M204 PolarHBondContact O-N 3.06Å; N202-S205 PolarHBondContact O-N 2.72Å; N202-S205 VanDerWaalsContact O-N 3.1Å; N202-S206 WeakPolarHBondContact O-CB 3.36Å; N202-S206 PolarHBondContact O-N 2.88Å; N202-S206 PolarHBondContact O-OG 3.16Å |
| 203 | K | 75.8 | Confident | 73.4 | Confident | 151 Ų | 151 | 114.3 Ų | 114.3 | 66% | 0.657 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.9 | -36.1 | 176.8 | -171.9 | 176.6 | 179.6 | 179 | 0 | 113.3 | Y199 K200 Y201 | Y199-K203 WeakPolarHBondContact O-CB 3.38Å; Y199-K203 PolarHBondContact O-N 3.43Å; K200-K203 PolarHBondContact O-N 3.26Å; Y201-K203 VanDerWaalsContact C-N 3.34Å; Y201-K203 PolarHBondContact O-N 2.9Å |
| 204 | M | 73.3 | Confident | 72.4 | Confident | 156 Ų | 156 | 115 Ų | 115 | 77% | 0.768 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -73.9 | -32.3 | 175.3 | -70.3 | 174.5 | -178.5 | 0 | 0 | 112.5 | K200 Y201 N202 | K200-M204 WeakPolarHBondContact O-CG 3.43Å; K200-M204 PolarHBondContact O-N 3.42Å; Y201-M204 PolarHBondContact O-N 3.46Å; N202-M204 VanDerWaalsContact C-N 3.3Å; N202-M204 PolarHBondContact O-N 3.06Å |
| 205 | S | 69.9 | Low | 71.3 | Confident | 72 Ų | 72 | 119.8 Ų | 119.8 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -78.1 | -28.1 | -179.4 | -51.6 | 0 | 0 | 0 | 0 | 112.7 | Y201 N202 G207 | Y201-S205 WeakPolarHBondContact CE1-OG 3.42Å; Y201-S205 WeakPolarHBondContact O-CB 3.47Å; Y201-S205 PolarHBondContact O-N 3.42Å; Y201-S205 PolarHBondContact O-OG 3.01Å; N202-S205 PolarHBondContact O-N 2.72Å; N202-S205 VanDerWaalsContact O-N 3.1Å; S205-G207 PolarHBondContact O-N 3Å |
| 206 | S | 61.4 | Low | 70 | Confident | 94 Ų | 94 | 121.2 Ų | 121.2 | 66% | 0.657 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 29.9 | 176.4 | -48.4 | 0 | 0 | 0 | 0 | 113.8 | N202 | N202-S206 WeakPolarHBondContact O-CB 3.36Å; N202-S206 PolarHBondContact O-N 2.88Å; N202-S206 PolarHBondContact O-OG 3.16Å |
| 207 | G | 44.3 | Very low | 68.7 | Low | 41 Ų | 41 | 123.9 Ų | 123.9 | 42% | 0.423 | 63% | 0.625 | S | S | . | * | trans | -51.1 | 148.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S205 H209 | S205-G207 PolarHBondContact O-N 3Å; G207-H209 PolarHBondContact O-N 2.91Å | ||
| 208 | P | 46.6 | Very low | 67.3 | Low | 109 Ų | 109 | 123.8 Ų | 123.8 | 71% | 0.708 | 63% | 0.629 | S | S | * | * | trans | -62 | 121.1 | -158.7 | 25.6 | -33.4 | 0 | 0 | 0 | 111.3 | H210 | P208-H210 VanDerWaalsContact C-N 3.3Å; P208-H210 PolarHBondContact O-N 3.34Å | ||
| 209 | H | 45.7 | Very low | 65.6 | Low | 200 Ų | 200 | 130.1 Ų | 130.1 | 93% | 0.926 | 66% | 0.657 | S | S | * | * | trans | -60.6 | 99.7 | 154.5 | -72.3 | -67.1 | 0 | 0 | 0 | 107.3 | G207 | G207-H209 PolarHBondContact O-N 2.91Š| ||
| 210 | H | 36.9 | Very low | 63.9 | Low | 244 Ų | 244 | 127.1 Ų | 127.1 | 100% | 1.13 | 66% | 0.658 | S | S | * | * | trans | -100.8 | 0 | 163.1 | -97.5 | -36.1 | 0 | 0 | 0 | 109.3 | P208 | P208-H210 VanDerWaalsContact C-N 3.3Å; P208-H210 PolarHBondContact O-N 3.34Å |
Retrieved 210 of 210 residues in 105.4 ms
(Link to these results)