| 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 | 30.3 | Very low | 38.9 | Very low | 247 Ų | 247 | 143.6 Ų | 143.6 | 100% | 1.217 | 82% | 0.816 | S | S | * | * | 0 | 130.8 | 0 | -69.8 | 174.3 | 174.4 | 0 | 0 | 107 | |||||
| 2 | T | 31.4 | Very low | 41.8 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -88.6 | 122.5 | -174.9 | 32.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3 | A | 27.7 | Very low | 44.8 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 79% | 0.793 | 74% | 0.741 | S | S | * | * | trans | -110.3 | 96.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | S5 | A3-S5 PolarHBondContact O-N 3.49Š| ||
| 4 | N | 33.8 | Very low | 47.7 | Very low | 159 Ų | 159 | 122.6 Ų | 122.6 | 85% | 0.85 | 72% | 0.715 | S | S | * | * | trans | -71.1 | 90.8 | 173.7 | -80.8 | 2.3 | 0 | 0 | 0 | 110 | R6 | N4-R6 PolarHBondContact O-N 3.25Š| ||
| 5 | S | 30.1 | Very low | 50.2 | Low | 112 Ų | 112 | 115.2 Ų | 115.2 | 78% | 0.783 | 67% | 0.671 | S | S | * | * | trans | -85.1 | 97.4 | 170.2 | -156.5 | 0 | 0 | 0 | 0 | 109.5 | A3 C7 | A3-S5 PolarHBondContact O-N 3.49Å; S5-C7 PolarHBondContact O-N 3.17Å | ||
| 6 | R | 35.4 | Very low | 52.4 | Low | 240 Ų | 240 | 116.2 Ų | 116.2 | 91% | 0.906 | 67% | 0.667 | S | S | * | * | trans | -71.8 | 108.1 | 168.5 | -77.3 | -179.1 | 169.2 | 175.2 | -4.8 | 108.4 | N4 S8 | N4-R6 PolarHBondContact O-N 3.25Å; R6-S8 PolarHBondContact O-N 3Å | ||
| 7 | C | 34.8 | Very low | 54.4 | Low | 124 Ų | 124 | 112 Ų | 112 | 84% | 0.838 | 64% | 0.644 | S | S | * | * | trans | -59.1 | 124.8 | 165.5 | -93.1 | 0 | 0 | 0 | 0 | 109.4 | S5 V9 | S5-C7 PolarHBondContact O-N 3.17Å; C7-V9 PolarHBondContact O-N 3.21Å | ||
| 8 | S | 38.1 | Very low | 56.3 | Low | 111 Ų | 111 | 106 Ų | 106 | 78% | 0.776 | 61% | 0.61 | S | S | * | * | trans | -71.4 | 115.9 | 165.4 | 51.6 | 0 | 0 | 0 | 0 | 108.3 | R6 A10 | R6-S8 PolarHBondContact O-N 3Å; S8-A10 PolarHBondContact O-N 3.11Å; S8-A10 VanDerWaalsContact O-N 3.13Å | ||
| 9 | V | 47.2 | Very low | 58 | Low | 118 Ų | 118 | 103.6 Ų | 103.6 | 72% | 0.715 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 119.2 | 167.5 | -178.1 | 0 | 0 | 0 | 0 | 107.3 | C7 | C7-V9 PolarHBondContact O-N 3.21Š|
| 10 | A | 54.9 | Low | 59.5 | Low | 41 Ų | 41 | 106 Ų | 106 | 34% | 0.339 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -74.9 | 137.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108 | S8 P12 | S8-A10 PolarHBondContact O-N 3.11Å; S8-A10 VanDerWaalsContact O-N 3.13Å; A10-P12 WeakPolarHBondContact O-CD 3.47Å; A10-P12 VanDerWaalsContact O-N 3.12Å |
| 11 | E | 63.9 | Low | 61 | Low | 189 Ų | 189 | 103.6 Ų | 103.6 | 88% | 0.883 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 122 | 173.4 | -70 | -174.4 | 145.7 | 0 | 0 | 108.8 | ||
| 12 | P | 73.6 | Confident | 63.9 | Low | 58 Ų | 58 | 91.8 Ų | 91.8 | 38% | 0.377 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 147.2 | -174.9 | 30 | -36.2 | 0 | 0 | 0 | 109.7 | A10 W104 | A10-P12 WeakPolarHBondContact O-CD 3.47Å; A10-P12 VanDerWaalsContact O-N 3.12Å; P12-W104 HydrophobicContact CB-CB 3.78Å; P12-W104 HydrophobicContact CB-CG 3.8Å |
| 13 | P | 81.6 | Confident | 66.6 | Low | 42 Ų | 42 | 87.9 Ų | 87.9 | 27% | 0.273 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 164.9 | -178.9 | 28.5 | -33.2 | 0 | 0 | 0 | 110.8 | T17 Q18 W104 | P13-T17 HydrophobicContact CB-CG2 4.01Å; P13-T17 HydrophobicContact CG-CG2 4.38Å; P13-Q18 HydrophobicContact CG-CG 3.84Å; P13-Q18 WeakPolarHBondContact O-CG 3.45Å; P13-Q18 PolarHBondContact O-NE2 3.43Å; P13-W104 VanDerWaalsContact CD-NE1 3.33Å; P13-W104 HydrophobicContact CG-CH2 4.38Å; P13-W104 HydrophobicContact CG-CZ2 3.7Å |
| 14 | G | 84.7 | Confident | 69.6 | Low | 37 Ų | 37 | 85.4 Ų | 85.4 | 38% | 0.381 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 146.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E16 T17 Q18 | G14-E16 VanDerWaalsContact C-N 3.31Å; G14-E16 PolarHBondContact O-N 3.12Å; G14-T17 WeakPolarHBondContact O-CA 3.49Å; G14-T17 VanDerWaalsContact O-CB 3.27Å; G14-T17 WeakPolarHBondContact O-CB 3.33Å; G14-T17 PolarHBondContact O-N 3.34Å; G14-Q18 PolarHBondContact O-N 3Å |
| 15 | L | 85.9 | Confident | 72.2 | Confident | 11 Ų | 11 | 79.8 Ų | 79.8 | 6% | 0.058 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -54.6 | -41.9 | -168.2 | -61.4 | 177.9 | 0 | 0 | 0 | 113.6 | T17 Q18 R19 F51 V52 Q57 | L15-T17 VanDerWaalsContact C-N 3.27Å; L15-T17 PolarHBondContact O-N 2.87Å; L15-Q18 WeakPolarHBondContact O-CB 3.5Å; L15-Q18 PolarHBondContact O-N 2.63Å; L15-Q18 VanDerWaalsContact O-N 3.15Å; L15-R19 WeakPolarHBondContact O-CB 3.26Å; L15-R19 PolarHBondContact O-N 3.2Å; L15-F51 HydrophobicContact CD1-CE1 4.47Å; L15-F51 HydrophobicContact CD1-CE2 4.48Å; L15-F51 HydrophobicContact CD1-CZ 4.22Å; L15-F51 HydrophobicContact CD2-CD1 3.99Å; L15-F51 HydrophobicContact CD2-CE1 3.36Å; L15-F51 HydrophobicContact CD2-CZ 3.77Å; L15-V52 HydrophobicContact CB-CB 4.49Å; L15-V52 HydrophobicContact CD2-CG1 4.27Å; L15-Q57 HydrophobicContact CD1-CG 4.07Å; L15-Q57 HydrophobicContact CG-CG 4.24Å |
| 16 | E | 85.3 | Confident | 75 | Confident | 131 Ų | 131 | 77.3 Ų | 77.3 | 61% | 0.612 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -58.3 | -35.9 | 173.4 | 177.7 | 59.9 | -163.5 | 0 | 0 | 113.1 | G14 R20 | G14-E16 VanDerWaalsContact C-N 3.31Å; G14-E16 PolarHBondContact O-N 3.12Å; E16-R20 VanDerWaalsContact O-CB 3.24Å; E16-R20 WeakPolarHBondContact O-CB 3.44Å; E16-R20 PolarHBondContact O-N 3.19Å |
| 17 | T | 86.9 | Confident | 77.4 | Confident | 45 Ų | 45 | 75 Ų | 75 | 28% | 0.276 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -72.9 | -40.9 | 175.2 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | P13 G14 L15 R20 E21 | P13-T17 HydrophobicContact CB-CG2 4.01Å; P13-T17 HydrophobicContact CG-CG2 4.38Å; G14-T17 WeakPolarHBondContact O-CA 3.49Å; G14-T17 VanDerWaalsContact O-CB 3.27Å; G14-T17 WeakPolarHBondContact O-CB 3.33Å; G14-T17 PolarHBondContact O-N 3.34Å; L15-T17 VanDerWaalsContact C-N 3.27Å; L15-T17 PolarHBondContact O-N 2.87Å; T17-R20 PolarHBondContact O-N 3.45Å; T17-E21 HydrophobicContact CG2-CG 4.33Å; T17-E21 VanDerWaalsContact CG2-OE1 3.31Å; T17-E21 WeakPolarHBondContact CG2-OE1 3.22Å; T17-E21 WeakPolarHBondContact O-CB 3.42Å; T17-E21 WeakPolarHBondContact O-CG 3.24Å; T17-E21 PolarHBondContact O-N 3.2Å |
| 18 | Q | 88.4 | Confident | 79.9 | Confident | 4 Ų | 4 | 75.8 Ų | 75.8 | 2% | 0.019 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.5 | -50.3 | 174 | -64.3 | -177.3 | 39.6 | 0 | 0 | 111.1 | P13 G14 L15 R20 E21 I22 V52 W104 Y105 | P13-Q18 HydrophobicContact CG-CG 3.84Å; P13-Q18 WeakPolarHBondContact O-CG 3.45Å; P13-Q18 PolarHBondContact O-NE2 3.43Å; G14-Q18 PolarHBondContact O-N 3Å; L15-Q18 WeakPolarHBondContact O-CB 3.5Å; L15-Q18 PolarHBondContact O-N 2.63Å; L15-Q18 VanDerWaalsContact O-N 3.15Å; Q18-R20 PolarHBondContact O-N 2.84Å; Q18-E21 PolarHBondContact O-N 2.9Å; Q18-I22 WeakPolarHBondContact O-CB 3.37Å; Q18-I22 WeakPolarHBondContact O-CG1 3.22Å; Q18-I22 PolarHBondContact O-N 3.01Å; Q18-V52 HydrophobicContact CB-CG1 4.2Å; Q18-W104 HydrophobicContact CB-CE3 4.14Å; Q18-W104 HydrophobicContact CB-CH2 4.08Å; Q18-W104 HydrophobicContact CB-CZ3 3.62Å; Q18-W104 HydrophobicContact CG-CD2 4.22Å; Q18-W104 HydrophobicContact CG-CE3 3.77Å; Q18-W104 HydrophobicContact CG-CH2 4.02Å; Q18-W104 HydrophobicContact CG-CZ2 4.45Å; Q18-W104 HydrophobicContact CG-CZ3 3.66Å; Q18-Y105 VanDerWaalsContact OE1-CE2 3.31Å; Q18-Y105 PolarHBondContact OE1-OH 2.8Å |
| 19 | R | 87.5 | Confident | 82.2 | Confident | 61 Ų | 61 | 72.3 Ų | 72.3 | 23% | 0.23 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -50.4 | -59.5 | 174.6 | -177.9 | -169.7 | 175.5 | 129.7 | 28.5 | 110.2 | L15 E21 I22 E23 V52 E53 | L15-R19 WeakPolarHBondContact O-CB 3.26Å; L15-R19 PolarHBondContact O-N 3.2Å; R19-E21 PolarHBondContact O-N 2.75Å; R19-I22 PolarHBondContact O-N 3.42Å; R19-E23 HydrophobicContact CG-CG 4.33Å; R19-E23 WeakPolarHBondContact CG-OE1 3.14Å; R19-E23 IonicContact CZ-OE1 2.62Å; R19-E23 IonicContact NE-OE1 2.79Å; R19-E23 PolarHBondContact NE-OE1 3.46Å; R19-E23 IonicContact NE-OE2 3.12Å; R19-E23 IonicContact NH2-OE1 3.79Å; R19-E23 PolarHBondContact NH2-OE1 3.11Å; R19-E23 WeakPolarHBondContact O-CB 3.49Å; R19-E23 WeakPolarHBondContact O-CG 3.43Å; R19-E23 PolarHBondContact O-N 3.13Å; R19-V52 HydrophobicContact CB-CB 4.06Å; R19-V52 HydrophobicContact CB-CG2 3.83Å; R19-V52 HydrophobicContact CG-CG2 4.12Å; R19-E53 IonicContact CZ-OE1 3.79Å; R19-E53 IonicContact NH1-OE1 3.33Å; R19-E53 PolarHBondContact NH1-OE1 3.15Å; R19-E53 IonicContact NH2-OE1 2.7Å; R19-E53 PolarHBondContact NH2-OE1 3.31Å |
| 20 | R | 88.7 | Confident | 84 | Confident | 150 Ų | 150 | 74 Ų | 74 | 57% | 0.566 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.4 | -40.4 | -175 | -169.6 | -168.3 | 68.8 | -161.5 | -4.3 | 112.5 | E16 T17 Q18 C24 | E16-R20 VanDerWaalsContact O-CB 3.24Å; E16-R20 WeakPolarHBondContact O-CB 3.44Å; E16-R20 PolarHBondContact O-N 3.19Å; T17-R20 PolarHBondContact O-N 3.45Å; Q18-R20 PolarHBondContact O-N 2.84Å; R20-C24 WeakPolarHBondContact O-CB 3.31Å; R20-C24 PolarHBondContact O-N 3.24Å |
| 21 | E | 90.1 | Very high | 85.6 | Confident | 56 Ų | 56 | 75.1 Ų | 75.1 | 26% | 0.262 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.2 | -41.7 | 179 | -75.4 | -177.8 | -162.6 | 0 | 0 | 112.5 | T17 Q18 R19 L25 K100 W104 | T17-E21 HydrophobicContact CG2-CG 4.33Å; T17-E21 VanDerWaalsContact CG2-OE1 3.31Å; T17-E21 WeakPolarHBondContact CG2-OE1 3.22Å; T17-E21 WeakPolarHBondContact O-CB 3.42Å; T17-E21 WeakPolarHBondContact O-CG 3.24Å; T17-E21 PolarHBondContact O-N 3.2Å; Q18-E21 PolarHBondContact O-N 2.9Å; R19-E21 PolarHBondContact O-N 2.75Å; E21-L25 WeakPolarHBondContact O-CB 3.47Å; E21-L25 VanDerWaalsContact O-CG 3.24Å; E21-L25 WeakPolarHBondContact O-CG 3.47Å; E21-L25 PolarHBondContact O-N 2.99Å; E21-K100 IonicContact OE2-NZ 2.76Å; E21-K100 PolarHBondContact OE2-NZ 3.34Å; E21-W104 HydrophobicContact CB-CH2 4.45Å |
| 22 | I | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -75.8 | -41 | 179.9 | -60.4 | -65.2 | 0 | 0 | 0 | 111.3 | Q18 R19 C24 L25 L26 W48 A97 K100 L101 W104 | Q18-I22 WeakPolarHBondContact O-CB 3.37Å; Q18-I22 WeakPolarHBondContact O-CG1 3.22Å; Q18-I22 PolarHBondContact O-N 3.01Å; R19-I22 PolarHBondContact O-N 3.42Å; I22-C24 VanDerWaalsContact C-N 3.33Å; I22-C24 PolarHBondContact O-N 3.25Å; I22-L25 PolarHBondContact O-N 2.72Å; I22-L26 HydrophobicContact CG2-CD1 3.66Å; I22-L26 HydrophobicContact CG2-CG 4.33Å; I22-L26 WeakPolarHBondContact O-CB 3.14Å; I22-L26 WeakPolarHBondContact O-CD1 3.38Å; I22-L26 VanDerWaalsContact O-CG 3.29Å; I22-L26 WeakPolarHBondContact O-CG 3.43Å; I22-L26 PolarHBondContact O-N 3.44Å; I22-W48 HydrophobicContact CB-CH2 3.59Å; I22-W48 HydrophobicContact CB-CZ2 3.9Å; I22-W48 HydrophobicContact CG1-CH2 4.12Å; I22-W48 HydrophobicContact CG1-CZ2 3.89Å; I22-W48 HydrophobicContact CG2-CH2 3.43Å; I22-W48 VanDerWaalsContact CG2-CH2 3.43Å; I22-W48 HydrophobicContact CG2-CZ2 4.05Å; I22-W48 HydrophobicContact CG2-CZ3 3.96Å; I22-A97 HydrophobicContact CD1-CB 3.8Å; I22-K100 HydrophobicContact CD1-CB 3.93Å; I22-K100 HydrophobicContact CD1-CD 4.14Å; I22-L101 HydrophobicContact CD1-CD2 4.17Å; I22-L101 HydrophobicContact CD1-CG 4.03Å; I22-L101 HydrophobicContact CG1-CD2 4.18Å; I22-W104 HydrophobicContact CD1-CH2 4.25Å; I22-W104 HydrophobicContact CD1-CZ3 3.95Å; I22-W104 HydrophobicContact CG1-CH2 4.14Å; I22-W104 HydrophobicContact CG1-CZ3 3.69Å |
| 23 | E | 89.2 | Confident | 87.2 | Confident | 60 Ų | 60 | 72.2 Ų | 72.2 | 28% | 0.28 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.3 | -35.8 | 173 | -76.8 | -171.2 | -164.2 | 0 | 0 | 113 | R19 R27 | R19-E23 HydrophobicContact CG-CG 4.33Å; R19-E23 WeakPolarHBondContact CG-OE1 3.14Å; R19-E23 IonicContact CZ-OE1 2.62Å; R19-E23 IonicContact NE-OE1 2.79Å; R19-E23 PolarHBondContact NE-OE1 3.46Å; R19-E23 IonicContact NE-OE2 3.12Å; R19-E23 IonicContact NH2-OE1 3.79Å; R19-E23 PolarHBondContact NH2-OE1 3.11Å; R19-E23 WeakPolarHBondContact O-CB 3.49Å; R19-E23 WeakPolarHBondContact O-CG 3.43Å; R19-E23 PolarHBondContact O-N 3.13Å; E23-R27 VanDerWaalsContact O-CB 3.26Å; E23-R27 WeakPolarHBondContact O-CB 3.23Å; E23-R27 PolarHBondContact O-N 3.18Å; E23-R27 IonicContact OE2-NH2 2.7Å |
| 24 | C | 89.6 | Confident | 87.4 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 30% | 0.304 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.1 | -54.3 | 172.6 | 167.8 | 0 | 0 | 0 | 0 | 110.2 | R20 I22 L26 R27 E28 | R20-C24 WeakPolarHBondContact O-CB 3.31Å; R20-C24 PolarHBondContact O-N 3.24Å; I22-C24 VanDerWaalsContact C-N 3.33Å; I22-C24 PolarHBondContact O-N 3.25Å; C24-L26 VanDerWaalsContact C-N 3.34Å; C24-L26 PolarHBondContact O-N 3.4Å; C24-R27 PolarHBondContact O-N 2.97Å; C24-E28 WeakPolarHBondContact O-CB 3.41Å; C24-E28 PolarHBondContact O-N 2.7Å; C24-E28 PolarHBondContact SG-OE1 2.78Å |
| 25 | L | 90.3 | Very high | 87.7 | Confident | 40 Ų | 40 | 73.7 Ų | 73.7 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.1 | -38.9 | -179.9 | -72.1 | 169.7 | 0 | 0 | 0 | 112.9 | E21 I22 R27 S29 A96 A97 K100 | E21-L25 WeakPolarHBondContact O-CB 3.47Å; E21-L25 VanDerWaalsContact O-CG 3.24Å; E21-L25 WeakPolarHBondContact O-CG 3.47Å; E21-L25 PolarHBondContact O-N 2.99Å; I22-L25 PolarHBondContact O-N 2.72Å; L25-R27 VanDerWaalsContact C-N 3.26Å; L25-R27 PolarHBondContact O-N 2.92Å; L25-S29 WeakPolarHBondContact O-CB 3.21Å; L25-S29 PolarHBondContact O-N 3.47Å; L25-S29 PolarHBondContact O-OG 2.91Å; L25-A96 HydrophobicContact CD1-CB 4.14Å; L25-A96 HydrophobicContact CD2-CB 3.9Å; L25-A97 HydrophobicContact CB-CB 4.11Å; L25-A97 HydrophobicContact CD1-CB 4.15Å; L25-K100 HydrophobicContact CD1-CD 3.75Å |
| 26 | L | 87.4 | Confident | 88 | Confident | 61 Ų | 61 | 74.4 Ų | 74.4 | 32% | 0.319 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70 | -19.4 | 176.1 | -73.4 | 164.9 | 0 | 0 | 0 | 113.8 | I22 C24 F45 P94 | I22-L26 HydrophobicContact CG2-CD1 3.66Å; I22-L26 HydrophobicContact CG2-CG 4.33Å; I22-L26 WeakPolarHBondContact O-CB 3.14Å; I22-L26 WeakPolarHBondContact O-CD1 3.38Å; I22-L26 VanDerWaalsContact O-CG 3.29Å; I22-L26 WeakPolarHBondContact O-CG 3.43Å; I22-L26 PolarHBondContact O-N 3.44Å; C24-L26 VanDerWaalsContact C-N 3.34Å; C24-L26 PolarHBondContact O-N 3.4Å; L26-F45 HydrophobicContact CD1-CE2 4.41Å; L26-F45 HydrophobicContact CD1-CZ 3.74Å; L26-P94 HydrophobicContact CD2-CG 4.38Å |
| 27 | R | 86.4 | Confident | 88.5 | Confident | 191 Ų | 191 | 69.3 Ų | 69.3 | 72% | 0.721 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -98.5 | -28.7 | 179.5 | -168.5 | -178.7 | -54.4 | 170.6 | 9.6 | 113.2 | E23 C24 L25 | E23-R27 VanDerWaalsContact O-CB 3.26Å; E23-R27 WeakPolarHBondContact O-CB 3.23Å; E23-R27 PolarHBondContact O-N 3.18Å; E23-R27 IonicContact OE2-NH2 2.7Å; C24-R27 PolarHBondContact O-N 2.97Å; L25-R27 VanDerWaalsContact C-N 3.26Å; L25-R27 PolarHBondContact O-N 2.92Å |
| 28 | E | 86.3 | Confident | 88.8 | Confident | 141 Ų | 141 | 67.9 Ų | 67.9 | 66% | 0.659 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -101.1 | -10.5 | -175.6 | -66.7 | 172.5 | -147.3 | 0 | 0 | 113 | C24 E30 | C24-E28 WeakPolarHBondContact O-CB 3.41Å; C24-E28 PolarHBondContact O-N 2.7Å; C24-E28 PolarHBondContact SG-OE1 2.78Å; E28-E30 PolarHBondContact O-N 2.92Å |
| 29 | S | 86.6 | Confident | 89.1 | Confident | 37 Ų | 37 | 67.7 Ų | 67.7 | 26% | 0.259 | 34% | 0.339 | S | S | . | . | trans | -81.2 | 92.6 | 171.5 | -56.6 | 0 | 0 | 0 | 0 | 111 | L25 P94 | L25-S29 WeakPolarHBondContact O-CB 3.21Å; L25-S29 PolarHBondContact O-N 3.47Å; L25-S29 PolarHBondContact O-OG 2.91Å; S29-P94 WeakPolarHBondContact OG-CG 3.47Å | ||
| 30 | E | 85.4 | Confident | 89.3 | Confident | 155 Ų | 155 | 64.8 Ų | 64.8 | 72% | 0.724 | 33% | 0.328 | S | S | * | . | trans | -65.7 | 149 | 161.5 | -63.2 | -177.3 | 160.8 | 0 | 0 | 110 | E28 Q32 | E28-E30 PolarHBondContact O-N 2.92Å; E30-Q32 PolarHBondContact O-N 3.09Å | ||
| 31 | L | 88.6 | Confident | 89.6 | Confident | 63 Ų | 63 | 58.2 Ų | 58.2 | 33% | 0.33 | 30% | 0.304 | S | S | . | . | trans | -73.3 | 122.8 | 176.4 | -68.1 | 168 | 0 | 0 | 0 | 110 | W37 V118 L125 V127 | L31-W37 HydrophobicContact CD2-CD2 4.24Å; L31-W37 HydrophobicContact CD2-CH2 4.04Å; L31-W37 HydrophobicContact CD2-CZ2 3.5Å; L31-W37 VanDerWaalsContact CD2-CZ2 3.5Å; L31-W37 HydrophobicContact CG-CZ2 4.29Å; L31-V118 HydrophobicContact CB-CG1 4.06Å; L31-V118 HydrophobicContact CD2-CG1 4.37Å; L31-V118 HydrophobicContact CD2-CG2 3.71Å; L31-L125 HydrophobicContact CB-CB 4.18Å; L31-V127 HydrophobicContact CD2-CG2 3.96Å | ||
| 32 | Q | 87.3 | Confident | 89.7 | Confident | 120 Ų | 120 | 59.7 Ų | 59.7 | 56% | 0.561 | 31% | 0.307 | S | S | * | . | trans | -121.2 | 139 | 171.7 | -50.4 | -171.4 | 6.7 | 0 | 0 | 110.5 | E30 G34 D35 V118 | E30-Q32 PolarHBondContact O-N 3.09Å; Q32-G34 PolarHBondContact O-N 2.96Å; Q32-D35 WeakPolarHBondContact CB-OD2 3.37Å; Q32-D35 PolarHBondContact N-OD2 3.11Å; Q32-D35 VanDerWaalsContact O-CB 3.29Å; Q32-D35 WeakPolarHBondContact O-CB 3.34Å; Q32-D35 PolarHBondContact O-N 3.26Å; Q32-D35 VanDerWaalsContact O-N 3.12Å; Q32-V118 WeakPolarHBondContact O-CB 3.46Å; Q32-V118 WeakPolarHBondContact O-CG1 3.32Å | ||
| 33 | A | 84.8 | Confident | 89.8 | Confident | 66 Ų | 66 | 67.3 Ų | 67.3 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 129.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D120 L125 | A33-D120 HydrophobicContact CB-CB 4.25Å; A33-L125 HydrophobicContact CB-CD2 3.92Å |
| 34 | G | 85.6 | Confident | 90 | Very high | 46 Ų | 46 | 65 Ų | 65 | 47% | 0.474 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -9.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q32 K117 V118 | Q32-G34 PolarHBondContact O-N 2.96Å; G34-K117 WeakPolarHBondContact O-CD 3.42Å; G34-K117 PolarHBondContact O-NZ 2.91Å; G34-K117 VanDerWaalsContact O-NZ 3.17Å; G34-V118 PolarHBondContact N-O 3.33Å |
| 35 | D | 90.7 | Very high | 90.1 | Very high | 65 Ų | 65 | 63.3 Ų | 63.3 | 35% | 0.348 | 31% | 0.313 | S | S | . | . | trans | -60.8 | 145.1 | 177 | -86.8 | -20.9 | 0 | 0 | 0 | 112.5 | Q32 K117 V118 | Q32-D35 WeakPolarHBondContact CB-OD2 3.37Å; Q32-D35 PolarHBondContact N-OD2 3.11Å; Q32-D35 VanDerWaalsContact O-CB 3.29Å; Q32-D35 WeakPolarHBondContact O-CB 3.34Å; Q32-D35 PolarHBondContact O-N 3.26Å; Q32-D35 VanDerWaalsContact O-N 3.12Å; D35-K117 WeakPolarHBondContact O-CA 3.5Å; D35-V118 HydrophobicContact CB-CB 4.37Å; D35-V118 HydrophobicContact CB-CG2 3.82Å; D35-V118 PolarHBondContact O-N 2.84Å | ||
| 36 | S | 92.4 | Very high | 90.2 | Very high | 26 Ų | 26 | 64.3 Ų | 64.3 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 123 | 171.9 | -60.2 | 0 | 0 | 0 | 0 | 111 | A95 E115 K117 | S36-A95 VanDerWaalsContact O-CB 3.27Å; S36-A95 WeakPolarHBondContact O-CB 3.44Å; S36-A95 PolarHBondContact O-N 3.42Å; S36-E115 WeakPolarHBondContact CB-OE1 3.42Å; S36-E115 PolarHBondContact OG-OE1 3.44Å; S36-K117 PolarHBondContact OG-NZ 2.66Å |
| 37 | W | 94.9 | Very high | 90.3 | Very high | 24 Ų | 24 | 65 Ų | 65 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 152.5 | 169.5 | -73.8 | 62.1 | 0 | 0 | 0 | 108.6 | L31 L92 V93 P94 R116 V118 V127 | L31-W37 HydrophobicContact CD2-CD2 4.24Å; L31-W37 HydrophobicContact CD2-CH2 4.04Å; L31-W37 HydrophobicContact CD2-CZ2 3.5Å; L31-W37 VanDerWaalsContact CD2-CZ2 3.5Å; L31-W37 HydrophobicContact CG-CZ2 4.29Å; W37-L92 HydrophobicContact CE3-CB 3.99Å; W37-L92 HydrophobicContact CZ3-CB 4.4Å; W37-V93 CarbonylContact C-O 3.53Å; W37-V93 WeakPolarHBondContact CA-O 3.5Å; W37-P94 HydrophobicContact CD2-CB 4.38Å; W37-P94 HydrophobicContact CD2-CG 4.28Å; W37-P94 HydrophobicContact CE3-CG 3.98Å; W37-P94 HydrophobicContact CH2-CG 3.66Å; W37-P94 HydrophobicContact CZ2-CB 4.36Å; W37-P94 HydrophobicContact CZ2-CG 3.9Å; W37-P94 HydrophobicContact CZ3-CG 3.68Å; W37-R116 PolarHBondContact N-O 2.84Å; W37-R116 PolarHBondContact O-N 3.16Å; W37-R116 VanDerWaalsContact O-O 3.06Å; W37-V118 VanDerWaalsContact CD1-CG2 3.48Å; W37-V118 HydrophobicContact CG-CG2 4.37Å; W37-V127 HydrophobicContact CB-CG1 4.11Å; W37-V127 HydrophobicContact CB-CG2 3.72Å; W37-V127 HydrophobicContact CD2-CG2 3.98Å; W37-V127 HydrophobicContact CE3-CG2 4.37Å; W37-V127 HydrophobicContact CG-CG2 3.7Å |
| 38 | Y | 94.1 | Very high | 90.6 | Very high | 14 Ų | 14 | 56.2 Ų | 56.2 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.9 | -174.4 | -66.8 | -95.1 | 0 | 0 | 0 | 110.5 | V93 A95 W98 A113 L114 E115 | Y38-V93 PolarHBondContact N-O 3.11Å; Y38-V93 PolarHBondContact O-N 2.98Å; Y38-A95 HydrophobicContact CE2-CB 3.88Å; Y38-W98 AromaticContact CD1-CD1 3.64Å; Y38-W98 AromaticContact CD1-CD2 3.8Å; Y38-W98 HydrophobicContact CD1-CD2 3.8Å; Y38-W98 AromaticContact CD1-CE2 3.7Å; Y38-W98 AromaticContact CD1-CG 3.8Å; Y38-W98 HydrophobicContact CD1-CG 3.8Å; Y38-W98 HydrophobicContact CD1-CZ2 4.37Å; Y38-W98 AromaticContact CD1-NE1 3.55Å; Y38-W98 HydrophobicContact CD2-CB 3.4Å; Y38-W98 AromaticContact CD2-CD1 3.49Å; Y38-W98 VanDerWaalsContact CD2-CD1 3.49Å; Y38-W98 HydrophobicContact CD2-CD2 4.14Å; Y38-W98 AromaticContact CD2-CG 3.37Å; Y38-W98 HydrophobicContact CD2-CG 3.37Å; Y38-W98 AromaticContact CE1-CD1 3.65Å; Y38-W98 HydrophobicContact CE1-CG 4.26Å; Y38-W98 AromaticContact CE1-NE1 3.55Å; Y38-W98 HydrophobicContact CE2-CB 4.06Å; Y38-W98 AromaticContact CE2-CD1 3.5Å; Y38-W98 VanDerWaalsContact CE2-CD1 3.5Å; Y38-W98 AromaticContact CE2-CG 3.87Å; Y38-W98 HydrophobicContact CE2-CG 3.87Å; Y38-W98 HydrophobicContact CG-CB 3.77Å; Y38-W98 AromaticContact CG-CD1 3.57Å; Y38-W98 AromaticContact CG-CD2 3.59Å; Y38-W98 HydrophobicContact CG-CD2 3.59Å; Y38-W98 HydrophobicContact CG-CE3 4.2Å; Y38-W98 AromaticContact CG-CG 3.34Å; Y38-W98 HydrophobicContact CG-CG 3.34Å; Y38-W98 AromaticContact CG-NE1 3.94Å; Y38-W98 AromaticContact CZ-CD1 3.6Å; Y38-W98 AromaticContact CZ-NE1 3.94Å; Y38-A113 HydrophobicContact CD1-CB 4.38Å; Y38-A113 HydrophobicContact CE1-CB 4.21Å; Y38-L114 WeakPolarHBondContact CA-O 3.35Å; Y38-E115 HydrophobicContact CD1-CB 4.03Å; Y38-E115 HydrophobicContact CE1-CB 3.47Å; Y38-E115 VanDerWaalsContact CE1-CB 3.47Å; Y38-E115 HydrophobicContact CE1-CG 3.87Å; Y38-E115 HydrophobicContact CE2-CG 4.45Å; Y38-E115 PolarHBondContact OH-OE2 2.88Å |
| 39 | V | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 128.2 | 172.6 | 177.3 | 0 | 0 | 0 | 0 | 108.5 | L71 F90 L92 L114 R116 V129 | V39-L71 HydrophobicContact CG1-CD1 3.68Å; V39-F90 HydrophobicContact CG1-CB 3.79Å; V39-F90 HydrophobicContact CG1-CD2 3.77Å; V39-F90 HydrophobicContact CG1-CG 3.84Å; V39-F90 HydrophobicContact CG2-CD2 4.4Å; V39-L92 HydrophobicContact CG2-CD2 4.05Å; V39-L114 HydrophobicContact CB-CB 3.84Å; V39-L114 HydrophobicContact CB-CD1 4.2Å; V39-L114 HydrophobicContact CG1-CD1 4.2Å; V39-L114 PolarHBondContact N-O 2.98Å; V39-R116 HydrophobicContact CG2-CG 3.79Å; V39-V129 HydrophobicContact CG2-CG1 4.2Å; V39-V129 HydrophobicContact CG2-CG2 4.46Å |
| 40 | V | 92.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 136.7 | 179.3 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | R42 W44 I66 N68 F90 M91 V93 W98 | V40-R42 PolarHBondContact O-N 3.25Å; V40-W44 HydrophobicContact CG1-CE3 3.8Å; V40-W44 HydrophobicContact CG1-CZ3 4.4Å; V40-I66 HydrophobicContact CG1-CG2 4.24Å; V40-N68 WeakPolarHBondContact CA-OD1 3.42Å; V40-F90 CarbonylContact O-C 3.53Å; V40-F90 WeakPolarHBondContact O-CA 2.9Å; V40-F90 WeakPolarHBondContact O-CB 3.48Å; V40-M91 PolarHBondContact N-O 3.33Å; V40-M91 PolarHBondContact O-N 3.37Å; V40-V93 HydrophobicContact CB-CG2 4.36Å; V40-V93 HydrophobicContact CG2-CB 4.27Å; V40-V93 HydrophobicContact CG2-CG2 3.7Å; V40-W98 HydrophobicContact CG2-CE3 3.93Å; V40-W98 HydrophobicContact CG2-CZ3 3.85Å |
| 41 | D | 94.1 | Very high | 91.1 | Very high | 12 Ų | 12 | 50.1 Ų | 50.1 | 6% | 0.064 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | 132.9 | 173.8 | 175.1 | -88.3 | 0 | 0 | 0 | 111.5 | R43 W44 F45 D67 N68 L71 | D41-R43 PolarHBondContact O-N 3.45Å; D41-R43 VanDerWaalsContact OD1-CA 3.29Å; D41-R43 WeakPolarHBondContact OD1-CA 3.31Å; D41-R43 WeakPolarHBondContact OD1-CB 3.49Å; D41-R43 PolarHBondContact OD1-N 3Å; D41-W44 HydrophobicContact CB-CB 4.32Å; D41-W44 PolarHBondContact O-N 3.24Å; D41-W44 PolarHBondContact OD1-N 2.76Å; D41-F45 WeakPolarHBondContact O-CB 3.18Å; D41-F45 PolarHBondContact O-N 2.73Å; D41-D67 WeakPolarHBondContact CB-O 3.28Å; D41-N68 PolarHBondContact N-OD1 3.4Å; D41-L71 HydrophobicContact CB-CD1 4.38Å; D41-L71 HydrophobicContact CB-CG 4.28Å |
| 42 | R | 92.8 | Very high | 91.1 | Very high | 87 Ų | 87 | 47.4 Ų | 47.4 | 33% | 0.328 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.6 | -35.4 | -175.7 | -176.2 | -170.7 | 176.1 | -170.1 | 8.7 | 112.6 | V40 F45 E46 N87 E88 D89 M91 | V40-R42 PolarHBondContact O-N 3.25Å; R42-F45 PolarHBondContact O-N 2.87Å; R42-E46 HydrophobicContact CG-CG 3.97Å; R42-E46 IonicContact NE-OE1 3.87Å; R42-E46 IonicContact NH2-OE1 3.97Å; R42-E46 WeakPolarHBondContact O-CB 3.36Å; R42-E46 WeakPolarHBondContact O-CG 3.34Å; R42-E46 PolarHBondContact O-N 2.77Å; R42-N87 PolarHBondContact NE-O 2.93Å; R42-N87 PolarHBondContact NH1-O 2.93Å; R42-N87 PolarHBondContact NH2-O 2.63Å; R42-E88 WeakPolarHBondContact CD-O 3.39Å; R42-E88 PolarHBondContact NH1-O 2.81Å; R42-E88 VanDerWaalsContact NH1-O 3.14Å; R42-D89 WeakPolarHBondContact CB-O 3.25Å; R42-D89 PolarHBondContact N-O 3.42Å; R42-M91 HydrophobicContact CB-CG 4.33Å; R42-M91 HydrophobicContact CG-CG 4.17Å; R42-M91 HydrophobicContact CG-SD 4.22Å |
| 43 | R | 92.1 | Very high | 91 | Very high | 160 Ų | 160 | 46.6 Ų | 46.6 | 60% | 0.604 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.4 | -44.5 | -179.7 | -50.1 | -179.6 | -172.1 | 159.2 | 9.8 | 109.6 | D41 F45 Q47 E70 | D41-R43 PolarHBondContact O-N 3.45Å; D41-R43 VanDerWaalsContact OD1-CA 3.29Å; D41-R43 WeakPolarHBondContact OD1-CA 3.31Å; D41-R43 WeakPolarHBondContact OD1-CB 3.49Å; D41-R43 PolarHBondContact OD1-N 3Å; R43-F45 VanDerWaalsContact C-N 3.35Å; R43-F45 PolarHBondContact O-N 2.58Å; R43-Q47 WeakPolarHBondContact O-CB 3.37Å; R43-Q47 PolarHBondContact O-N 2.76Å; R43-E70 IonicContact CZ-OE1 3.3Å; R43-E70 VanDerWaalsContact CZ-OE1 3.3Å; R43-E70 IonicContact NH1-OE1 2.67Å; R43-E70 PolarHBondContact NH1-OE1 2.85Å; R43-E70 IonicContact NH2-OE1 3.13Å; R43-E70 PolarHBondContact NH2-OE1 2.86Å; R43-E70 VanDerWaalsContact NH2-OE1 3.13Å |
| 44 | W | 94.2 | Very high | 91 | Very high | 11 Ų | 11 | 46.2 Ų | 46.2 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 172.8 | -171.8 | 89.9 | 0 | 0 | 0 | 111.6 | V40 D41 Q47 W48 P63 Q65 I66 L101 Y105 | V40-W44 HydrophobicContact CG1-CE3 3.8Å; V40-W44 HydrophobicContact CG1-CZ3 4.4Å; D41-W44 HydrophobicContact CB-CB 4.32Å; D41-W44 PolarHBondContact O-N 3.24Å; D41-W44 PolarHBondContact OD1-N 2.76Å; W44-Q47 PolarHBondContact O-N 2.96Å; W44-W48 HydrophobicContact CE3-CB 4.31Å; W44-W48 HydrophobicContact CH2-CB 4Å; W44-W48 HydrophobicContact CH2-CG 4.1Å; W44-W48 HydrophobicContact CZ2-CB 4.46Å; W44-W48 HydrophobicContact CZ3-CB 3.92Å; W44-W48 HydrophobicContact CZ3-CG 4.19Å; W44-W48 WeakPolarHBondContact O-CB 3.48Å; W44-W48 PolarHBondContact O-N 2.71Å; W44-P63 HydrophobicContact CZ2-CB 4.05Å; W44-P63 HydrophobicContact CZ2-CG 4.08Å; W44-P63 PolarHBondContact NE1-O 2.93Å; W44-P63 VanDerWaalsContact NE1-O 3.08Å; W44-Q65 VanDerWaalsContact NE1-C 3.35Å; W44-Q65 PolarHBondContact NE1-O 3.43Å; W44-I66 HydrophobicContact CD2-CG1 4.22Å; W44-I66 HydrophobicContact CE3-CG1 4.26Å; W44-I66 HydrophobicContact CH2-CD1 4.36Å; W44-I66 HydrophobicContact CH2-CG1 3.61Å; W44-I66 HydrophobicContact CZ2-CB 4.44Å; W44-I66 HydrophobicContact CZ2-CG1 3.51Å; W44-I66 HydrophobicContact CZ3-CG1 3.99Å; W44-L101 HydrophobicContact CH2-CD2 4.35Å; W44-L101 HydrophobicContact CZ3-CD1 4.38Å; W44-Y105 HydrophobicContact CH2-CD2 4.21Å; W44-Y105 HydrophobicContact CH2-CG 4.25Å; W44-Y105 HydrophobicContact CZ2-CD1 4.32Å; W44-Y105 HydrophobicContact CZ2-CD2 4.37Å; W44-Y105 AromaticContact CZ2-CG 3.95Å; W44-Y105 HydrophobicContact CZ2-CG 3.95Å |
| 45 | F | 92.3 | Very high | 90.6 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 5% | 0.048 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.6 | -42.5 | -177.6 | -170.9 | -88.8 | 0 | 0 | 0 | 113.4 | L26 D41 R42 R43 W48 K49 M91 V93 L101 | L26-F45 HydrophobicContact CD1-CE2 4.41Å; L26-F45 HydrophobicContact CD1-CZ 3.74Å; D41-F45 WeakPolarHBondContact O-CB 3.18Å; D41-F45 PolarHBondContact O-N 2.73Å; R42-F45 PolarHBondContact O-N 2.87Å; R43-F45 VanDerWaalsContact C-N 3.35Å; R43-F45 PolarHBondContact O-N 2.58Å; F45-W48 HydrophobicContact CD2-CE3 4.31Å; F45-W48 HydrophobicContact CE1-CE3 4.47Å; F45-W48 HydrophobicContact CE1-CZ3 4.37Å; F45-W48 HydrophobicContact CE2-CE3 4.01Å; F45-W48 HydrophobicContact CE2-CZ3 4.05Å; F45-W48 HydrophobicContact CZ-CE3 4.09Å; F45-W48 AromaticContact CZ-CZ3 3.82Å; F45-W48 HydrophobicContact CZ-CZ3 3.82Å; F45-W48 PolarHBondContact O-N 2.94Å; F45-K49 WeakPolarHBondContact O-CB 3.32Å; F45-K49 PolarHBondContact O-N 2.97Å; F45-M91 HydrophobicContact CB-CB 4.33Å; F45-M91 HydrophobicContact CB-CG 3.93Å; F45-M91 HydrophobicContact CD1-CB 4.27Å; F45-M91 HydrophobicContact CD1-CG 3.71Å; F45-M91 HydrophobicContact CD2-CB 4.46Å; F45-M91 HydrophobicContact CE1-CE 4.44Å; F45-M91 HydrophobicContact CE1-CG 4.44Å; F45-M91 HydrophobicContact CG-CB 4.08Å; F45-M91 HydrophobicContact CG-CG 3.84Å; F45-V93 HydrophobicContact CD2-CG2 4.29Å; F45-V93 HydrophobicContact CE2-CG2 4.06Å; F45-L101 HydrophobicContact CE2-CD1 4.46Å |
| 46 | E | 90.9 | Very high | 90.1 | Very high | 60 Ų | 60 | 47.4 Ų | 47.4 | 28% | 0.28 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.7 | -35.5 | 175.3 | -66.6 | -79 | -154.8 | 0 | 0 | 111.3 | R42 K49 E50 | R42-E46 HydrophobicContact CG-CG 3.97Å; R42-E46 IonicContact NE-OE1 3.87Å; R42-E46 IonicContact NH2-OE1 3.97Å; R42-E46 WeakPolarHBondContact O-CB 3.36Å; R42-E46 WeakPolarHBondContact O-CG 3.34Å; R42-E46 PolarHBondContact O-N 2.77Å; E46-K49 WeakPolarHBondContact O-CB 3.22Å; E46-K49 PolarHBondContact O-N 3.07Å; E46-K49 IonicContact OE1-NZ 3.83Å; E46-K49 IonicContact OE2-NZ 3.91Å; E46-K49 PolarHBondContact OE2-NZ 3.1Å; E46-E50 PolarHBondContact O-N 3.14Å |
| 47 | Q | 91.1 | Very high | 89.3 | Confident | 77 Ų | 77 | 52.8 Ų | 52.8 | 36% | 0.36 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 172.8 | -179.6 | 173.8 | -8.2 | 0 | 0 | 112 | R43 W44 K49 E50 F51 S61 F62 P63 | R43-Q47 WeakPolarHBondContact O-CB 3.37Å; R43-Q47 PolarHBondContact O-N 2.76Å; W44-Q47 PolarHBondContact O-N 2.96Å; Q47-K49 VanDerWaalsContact C-N 3.29Å; Q47-K49 PolarHBondContact O-N 3.46Å; Q47-E50 PolarHBondContact O-N 3.25Å; Q47-F51 WeakPolarHBondContact O-CB 3.3Å; Q47-F51 PolarHBondContact O-N 3.49Å; Q47-S61 WeakPolarHBondContact CG-O 3.43Å; Q47-S61 PolarHBondContact NE2-O 2.96Å; Q47-F62 PolarHBondContact NE2-O 3.25Å; Q47-P63 HydrophobicContact CG-CB 4.12Å |
| 48 | W | 92.7 | Very high | 88.3 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 2% | 0.023 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 171.3 | 165.5 | 80.2 | 0 | 0 | 0 | 111.5 | I22 W44 F45 F51 V52 P63 L101 Y105 | I22-W48 HydrophobicContact CB-CH2 3.59Å; I22-W48 HydrophobicContact CB-CZ2 3.9Å; I22-W48 HydrophobicContact CG1-CH2 4.12Å; I22-W48 HydrophobicContact CG1-CZ2 3.89Å; I22-W48 HydrophobicContact CG2-CH2 3.43Å; I22-W48 VanDerWaalsContact CG2-CH2 3.43Å; I22-W48 HydrophobicContact CG2-CZ2 4.05Å; I22-W48 HydrophobicContact CG2-CZ3 3.96Å; W44-W48 HydrophobicContact CE3-CB 4.31Å; W44-W48 HydrophobicContact CH2-CB 4Å; W44-W48 HydrophobicContact CH2-CG 4.1Å; W44-W48 HydrophobicContact CZ2-CB 4.46Å; W44-W48 HydrophobicContact CZ3-CB 3.92Å; W44-W48 HydrophobicContact CZ3-CG 4.19Å; W44-W48 WeakPolarHBondContact O-CB 3.48Å; W44-W48 PolarHBondContact O-N 2.71Å; F45-W48 HydrophobicContact CD2-CE3 4.31Å; F45-W48 HydrophobicContact CE1-CE3 4.47Å; F45-W48 HydrophobicContact CE1-CZ3 4.37Å; F45-W48 HydrophobicContact CE2-CE3 4.01Å; F45-W48 HydrophobicContact CE2-CZ3 4.05Å; F45-W48 HydrophobicContact CZ-CE3 4.09Å; F45-W48 AromaticContact CZ-CZ3 3.82Å; F45-W48 HydrophobicContact CZ-CZ3 3.82Å; F45-W48 PolarHBondContact O-N 2.94Å; W48-F51 WeakPolarHBondContact O-CB 3.44Å; W48-F51 PolarHBondContact O-N 2.84Å; W48-V52 HydrophobicContact CH2-CG2 4.18Å; W48-V52 HydrophobicContact CZ2-CG1 4.03Å; W48-V52 HydrophobicContact CZ2-CG2 4.01Å; W48-V52 PolarHBondContact O-N 2.93Å; W48-P63 HydrophobicContact CB-CB 4.03Å; W48-P63 HydrophobicContact CB-CG 3.92Å; W48-L101 HydrophobicContact CD2-CD2 4.15Å; W48-L101 HydrophobicContact CG-CD2 4.45Å; W48-L101 HydrophobicContact CZ2-CD2 4.15Å; W48-Y105 AromaticContact CD1-CE2 3.52Å; W48-Y105 AromaticContact CD1-CZ 3.56Å; W48-Y105 AromaticContact NE1-CE2 3.57Å; W48-Y105 AromaticContact NE1-CZ 3.84Å |
| 49 | K | 89.9 | Confident | 87.6 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 34% | 0.339 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.8 | -52.2 | 177.3 | 178.1 | 168.9 | 146.4 | -125.1 | 0 | 111.1 | F45 E46 Q47 F51 V52 E53 | F45-K49 WeakPolarHBondContact O-CB 3.32Å; F45-K49 PolarHBondContact O-N 2.97Å; E46-K49 WeakPolarHBondContact O-CB 3.22Å; E46-K49 PolarHBondContact O-N 3.07Å; E46-K49 IonicContact OE1-NZ 3.83Å; E46-K49 IonicContact OE2-NZ 3.91Å; E46-K49 PolarHBondContact OE2-NZ 3.1Å; Q47-K49 VanDerWaalsContact C-N 3.29Å; Q47-K49 PolarHBondContact O-N 3.46Å; K49-F51 VanDerWaalsContact C-N 3.25Å; K49-F51 PolarHBondContact O-N 2.91Å; K49-V52 WeakPolarHBondContact O-CG2 3.41Å; K49-V52 PolarHBondContact O-N 2.75Å; K49-E53 VanDerWaalsContact O-CG 3.29Å; K49-E53 WeakPolarHBondContact O-CG 3.49Å; K49-E53 PolarHBondContact O-N 3.3Å |
| 50 | E | 88.6 | Confident | 86.9 | Confident | 118 Ų | 118 | 64.7 Ų | 64.7 | 55% | 0.551 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -53.6 | -42 | 172.6 | -76 | -169.1 | 179 | 0 | 0 | 112.4 | E46 Q47 E53 S54 S61 | E46-E50 PolarHBondContact O-N 3.14Å; Q47-E50 PolarHBondContact O-N 3.25Å; E50-E53 PolarHBondContact O-N 2.88Å; E50-S54 WeakPolarHBondContact O-CB 3.5Å; E50-S54 PolarHBondContact O-N 3.24Å; E50-S61 PolarHBondContact OE2-OG 3.11Å |
| 51 | F | 88.9 | Confident | 86.3 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 4% | 0.035 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.3 | -50.7 | 178 | 177.4 | -116.9 | 0 | 0 | 0 | 112.1 | L15 Q47 W48 K49 E53 S54 D56 F62 Y105 | L15-F51 HydrophobicContact CD1-CE1 4.47Å; L15-F51 HydrophobicContact CD1-CE2 4.48Å; L15-F51 HydrophobicContact CD1-CZ 4.22Å; L15-F51 HydrophobicContact CD2-CD1 3.99Å; L15-F51 HydrophobicContact CD2-CE1 3.36Å; L15-F51 HydrophobicContact CD2-CZ 3.77Å; Q47-F51 WeakPolarHBondContact O-CB 3.3Å; Q47-F51 PolarHBondContact O-N 3.49Å; W48-F51 WeakPolarHBondContact O-CB 3.44Å; W48-F51 PolarHBondContact O-N 2.84Å; K49-F51 VanDerWaalsContact C-N 3.25Å; K49-F51 PolarHBondContact O-N 2.91Å; F51-E53 PolarHBondContact O-N 3.03Å; F51-S54 PolarHBondContact O-N 2.95Å; F51-S54 PolarHBondContact O-OG 3.07Å; F51-D56 WeakPolarHBondContact CE2-O 3.28Å; F51-F62 HydrophobicContact CD1-CD2 4.39Å; F51-F62 HydrophobicContact CD2-CB 4.08Å; F51-F62 AromaticContact CE1-CD2 3.82Å; F51-F62 HydrophobicContact CE1-CD2 3.82Å; F51-F62 HydrophobicContact CE1-CE2 4.42Å; F51-F62 HydrophobicContact CE2-CB 3.95Å; F51-F62 AromaticContact CE2-CD2 3.99Å; F51-F62 HydrophobicContact CE2-CD2 3.99Å; F51-F62 HydrophobicContact CE2-CG 4.48Å; F51-F62 HydrophobicContact CZ-CB 4.45Å; F51-F62 AromaticContact CZ-CD2 3.62Å; F51-F62 HydrophobicContact CZ-CD2 3.62Å; F51-F62 HydrophobicContact CZ-CE2 4.44Å; F51-Y105 HydrophobicContact CD1-CE1 4.45Å; F51-Y105 HydrophobicContact CE1-CE1 4.3Å; F51-Y105 WeakPolarHBondContact CE1-OH 3.47Å |
| 52 | V | 88.2 | Confident | 85.9 | Confident | 6 Ų | 6 | 70.5 Ų | 70.5 | 4% | 0.036 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -71.4 | -28.5 | 179.2 | -58.3 | 0 | 0 | 0 | 0 | 113 | L15 Q18 R19 W48 K49 | L15-V52 HydrophobicContact CB-CB 4.49Å; L15-V52 HydrophobicContact CD2-CG1 4.27Å; Q18-V52 HydrophobicContact CB-CG1 4.2Å; R19-V52 HydrophobicContact CB-CB 4.06Å; R19-V52 HydrophobicContact CB-CG2 3.83Å; R19-V52 HydrophobicContact CG-CG2 4.12Å; W48-V52 HydrophobicContact CH2-CG2 4.18Å; W48-V52 HydrophobicContact CZ2-CG1 4.03Å; W48-V52 HydrophobicContact CZ2-CG2 4.01Å; W48-V52 PolarHBondContact O-N 2.93Å; K49-V52 WeakPolarHBondContact O-CG2 3.41Å; K49-V52 PolarHBondContact O-N 2.75Å |
| 53 | E | 86.2 | Confident | 85.5 | Confident | 103 Ų | 103 | 66.9 Ų | 66.9 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.2 | -30.8 | 171.5 | -65.6 | -148.3 | 104.4 | 0 | 0 | 112.9 | R19 K49 E50 F51 G55 | R19-E53 IonicContact CZ-OE1 3.79Å; R19-E53 IonicContact NH1-OE1 3.33Å; R19-E53 PolarHBondContact NH1-OE1 3.15Å; R19-E53 IonicContact NH2-OE1 2.7Å; R19-E53 PolarHBondContact NH2-OE1 3.31Å; K49-E53 VanDerWaalsContact O-CG 3.29Å; K49-E53 WeakPolarHBondContact O-CG 3.49Å; K49-E53 PolarHBondContact O-N 3.3Å; E50-E53 PolarHBondContact O-N 2.88Å; F51-E53 PolarHBondContact O-N 3.03Å; E53-G55 VanDerWaalsContact C-N 3.3Å; E53-G55 PolarHBondContact O-N 2.91Å |
| 54 | S | 84.1 | Confident | 85.3 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 41% | 0.406 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69 | -25.5 | -179.2 | 76.9 | 0 | 0 | 0 | 0 | 114 | E50 F51 D56 S59 | E50-S54 WeakPolarHBondContact O-CB 3.5Å; E50-S54 PolarHBondContact O-N 3.24Å; F51-S54 PolarHBondContact O-N 2.95Å; F51-S54 PolarHBondContact O-OG 3.07Å; S54-D56 PolarHBondContact O-N 2.74Å; S54-D56 VanDerWaalsContact O-N 3.12Å; S54-S59 WeakPolarHBondContact OG-CB 3.37Å; S54-S59 PolarHBondContact OG-OG 3.02Å |
| 55 | G | 77.6 | Confident | 85.2 | Confident | 57 Ų | 57 | 64.2 Ų | 64.2 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | trans | 70.4 | -4.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | E53 | E53-G55 VanDerWaalsContact C-N 3.3Å; E53-G55 PolarHBondContact O-N 2.91Å | ||
| 56 | D | 80.4 | Confident | 85.3 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 43% | 0.428 | 35% | 0.35 | S | S | . | . | trans | -102.3 | 120.4 | 176.9 | -175.8 | 4.9 | 0 | 0 | 0 | 111.6 | F51 S54 N58 S59 | F51-D56 WeakPolarHBondContact CE2-O 3.28Å; S54-D56 PolarHBondContact O-N 2.74Å; S54-D56 VanDerWaalsContact O-N 3.12Å; D56-N58 PolarHBondContact O-N 2.78Å; D56-N58 VanDerWaalsContact O-N 3.16Å; D56-N58 PolarHBondContact OD1-N 3.2Å; D56-N58 PolarHBondContact OD1-ND2 3.06Å; D56-S59 WeakPolarHBondContact O-CB 3.35Å; D56-S59 PolarHBondContact O-N 2.98Å | ||
| 57 | Q | 75.9 | Confident | 85.3 | Confident | 138 Ų | 138 | 63.8 Ų | 63.8 | 65% | 0.645 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.5 | 176.5 | -64.7 | -179.9 | -7.1 | 0 | 0 | 113.5 | L15 | L15-Q57 HydrophobicContact CD1-CG 4.07Å; L15-Q57 HydrophobicContact CG-CG 4.24Å |
| 58 | N | 73.9 | Confident | 85.3 | Confident | 142 Ų | 142 | 60.1 Ų | 60.1 | 76% | 0.759 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 8.8 | 176.5 | -47.6 | -90.2 | 0 | 0 | 0 | 112.5 | D56 | D56-N58 PolarHBondContact O-N 2.78Å; D56-N58 VanDerWaalsContact O-N 3.16Å; D56-N58 PolarHBondContact OD1-N 3.2Å; D56-N58 PolarHBondContact OD1-ND2 3.06Å |
| 59 | S | 78.9 | Confident | 85.2 | Confident | 23 Ų | 23 | 62.3 Ų | 62.3 | 16% | 0.161 | 35% | 0.35 | C | S | . | . | trans | -58.2 | 139.7 | 179.4 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | S54 D56 S61 F62 | S54-S59 WeakPolarHBondContact OG-CB 3.37Å; S54-S59 PolarHBondContact OG-OG 3.02Å; D56-S59 WeakPolarHBondContact O-CB 3.35Å; D56-S59 PolarHBondContact O-N 2.98Å; S59-S61 PolarHBondContact O-N 3.36Å; S59-S61 VanDerWaalsContact O-N 3.15Å; S59-S61 PolarHBondContact OG-N 3.46Å; S59-F62 PolarHBondContact O-N 2.98Å; S59-F62 VanDerWaalsContact O-N 3.13Å | ||
| 60 | S | 79.2 | Confident | 85.1 | Confident | 124 Ų | 124 | 62.7 Ų | 62.7 | 87% | 0.867 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.1 | 175.1 | 51.2 | 0 | 0 | 0 | 0 | 113.8 | F62 | S60-F62 VanDerWaalsContact C-N 3.26Å; S60-F62 PolarHBondContact O-N 2.88Å |
| 61 | S | 79.4 | Confident | 85.2 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 18% | 0.175 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 3.2 | 174.6 | -56.5 | 0 | 0 | 0 | 0 | 113.5 | Q47 E50 S59 P63 | Q47-S61 WeakPolarHBondContact CG-O 3.43Å; Q47-S61 PolarHBondContact NE2-O 2.96Å; E50-S61 PolarHBondContact OE2-OG 3.11Å; S59-S61 PolarHBondContact O-N 3.36Å; S59-S61 VanDerWaalsContact O-N 3.15Å; S59-S61 PolarHBondContact OG-N 3.46Å; S61-P63 VanDerWaalsContact O-N 3.16Å |
| 62 | F | 85.9 | Confident | 85.2 | Confident | 108 Ų | 108 | 57.1 Ų | 57.1 | 47% | 0.474 | 33% | 0.327 | S | S | . | . | trans | -49 | 121.8 | 177.3 | 175.2 | -107 | 0 | 0 | 0 | 111.9 | Q47 F51 S59 S60 G64 Y105 | Q47-F62 PolarHBondContact NE2-O 3.25Å; F51-F62 HydrophobicContact CD1-CD2 4.39Å; F51-F62 HydrophobicContact CD2-CB 4.08Å; F51-F62 AromaticContact CE1-CD2 3.82Å; F51-F62 HydrophobicContact CE1-CD2 3.82Å; F51-F62 HydrophobicContact CE1-CE2 4.42Å; F51-F62 HydrophobicContact CE2-CB 3.95Å; F51-F62 AromaticContact CE2-CD2 3.99Å; F51-F62 HydrophobicContact CE2-CD2 3.99Å; F51-F62 HydrophobicContact CE2-CG 4.48Å; F51-F62 HydrophobicContact CZ-CB 4.45Å; F51-F62 AromaticContact CZ-CD2 3.62Å; F51-F62 HydrophobicContact CZ-CD2 3.62Å; F51-F62 HydrophobicContact CZ-CE2 4.44Å; S59-F62 PolarHBondContact O-N 2.98Å; S59-F62 VanDerWaalsContact O-N 3.13Å; S60-F62 VanDerWaalsContact C-N 3.26Å; S60-F62 PolarHBondContact O-N 2.88Å; F62-G64 PolarHBondContact O-N 2.92Å; F62-Y105 HydrophobicContact CD2-CE1 4.42Å; F62-Y105 HydrophobicContact CE2-CD1 4.18Å; F62-Y105 AromaticContact CE2-CE1 3.86Å; F62-Y105 HydrophobicContact CE2-CE1 3.86Å | ||
| 63 | P | 85.6 | Confident | 85.1 | Confident | 11 Ų | 11 | 63.3 Ų | 63.3 | 7% | 0.071 | 36% | 0.355 | C | S | . | . | trans | -80 | -10.8 | -166.4 | 33.2 | -40.2 | 0 | 0 | 0 | 114.8 | W44 Q47 W48 S61 Y105 | W44-P63 HydrophobicContact CZ2-CB 4.05Å; W44-P63 HydrophobicContact CZ2-CG 4.08Å; W44-P63 PolarHBondContact NE1-O 2.93Å; W44-P63 VanDerWaalsContact NE1-O 3.08Å; Q47-P63 HydrophobicContact CG-CB 4.12Å; W48-P63 HydrophobicContact CB-CB 4.03Å; W48-P63 HydrophobicContact CB-CG 3.92Å; S61-P63 VanDerWaalsContact O-N 3.16Å; P63-Y105 HydrophobicContact CG-CD1 3.79Å; P63-Y105 HydrophobicContact CG-CE1 3.53Å | ||
| 64 | G | 88.1 | Confident | 85 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 25% | 0.247 | 35% | 0.348 | C | S | . | . | trans | 68.4 | -155.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F62 Y105 | F62-G64 PolarHBondContact O-N 2.92Å; G64-Y105 WeakPolarHBondContact O-CD1 3.18Å | ||
| 65 | Q | 92.3 | Very high | 84.9 | Confident | 91 Ų | 91 | 62.9 Ų | 62.9 | 43% | 0.425 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -70.4 | 151.2 | 172.6 | -67.3 | 177.3 | -53.6 | 0 | 0 | 110.5 | W44 D67 Y105 M107 V108 | W44-Q65 VanDerWaalsContact NE1-C 3.35Å; W44-Q65 PolarHBondContact NE1-O 3.43Å; Q65-D67 PolarHBondContact O-N 3.36Å; Q65-Y105 WeakPolarHBondContact CA-O 3.46Å; Q65-M107 PolarHBondContact NE2-O 3.5Å; Q65-V108 HydrophobicContact CB-CG2 4.21Å |
| 66 | I | 92.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -59.5 | 121.2 | 171.4 | -60.7 | 163.8 | 0 | 0 | 0 | 109 | V40 W44 W98 L101 G106 M107 V108 | V40-I66 HydrophobicContact CG1-CG2 4.24Å; W44-I66 HydrophobicContact CD2-CG1 4.22Å; W44-I66 HydrophobicContact CE3-CG1 4.26Å; W44-I66 HydrophobicContact CH2-CD1 4.36Å; W44-I66 HydrophobicContact CH2-CG1 3.61Å; W44-I66 HydrophobicContact CZ2-CB 4.44Å; W44-I66 HydrophobicContact CZ2-CG1 3.51Å; W44-I66 HydrophobicContact CZ3-CG1 3.99Å; I66-W98 HydrophobicContact CD1-CE3 4.39Å; I66-W98 HydrophobicContact CD1-CH2 4.03Å; I66-W98 HydrophobicContact CD1-CZ3 3.76Å; I66-W98 HydrophobicContact CG2-CH2 4.18Å; I66-W98 HydrophobicContact CG2-CZ3 4.05Å; I66-L101 HydrophobicContact CD1-CB 4.1Å; I66-G106 WeakPolarHBondContact CB-O 3.44Å; I66-G106 VanDerWaalsContact CG1-O 3.29Å; I66-G106 WeakPolarHBondContact CG1-O 3.39Å; I66-G106 PolarHBondContact N-O 2.93Å; I66-M107 HydrophobicContact CB-CB 4.31Å; I66-M107 HydrophobicContact CB-CG 4.35Å; I66-M107 WeakPolarHBondContact O-CA 3.33Å; I66-M107 WeakPolarHBondContact O-CG 3.35Å; I66-V108 PolarHBondContact O-N 2.89Å |
| 67 | D | 91.2 | Very high | 84.8 | Confident | 62 Ų | 62 | 67.1 Ų | 67.1 | 33% | 0.332 | 37% | 0.365 | S | S | . | . | trans | -125.2 | 115.4 | -179.4 | -174.2 | 2.3 | 0 | 0 | 0 | 110.2 | D41 Q65 T69 V108 Q111 | D41-D67 WeakPolarHBondContact CB-O 3.28Å; Q65-D67 PolarHBondContact O-N 3.36Å; D67-T69 WeakPolarHBondContact OD1-CB 3.43Å; D67-T69 PolarHBondContact OD1-N 3.33Å; D67-T69 PolarHBondContact OD1-OG1 2.9Å; D67-V108 HydrophobicContact CB-CG2 3.69Å; D67-Q111 PolarHBondContact OD1-NE2 2.88Å | ||
| 68 | N | 92.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | trans | -101.4 | 13 | 177.5 | -69.6 | -38.7 | 0 | 0 | 0 | 113 | V40 D41 E70 L71 F72 L114 | V40-N68 WeakPolarHBondContact CA-OD1 3.42Å; D41-N68 PolarHBondContact N-OD1 3.4Å; N68-E70 PolarHBondContact O-N 2.75Å; N68-E70 VanDerWaalsContact O-N 3.08Å; N68-L71 HydrophobicContact CB-CD1 4.32Å; N68-L71 WeakPolarHBondContact O-CB 3.41Å; N68-L71 PolarHBondContact O-N 3.07Å; N68-F72 HydrophobicContact CB-CE2 3.82Å; N68-F72 HydrophobicContact CB-CZ 3.96Å; N68-F72 VanDerWaalsContact O-CD2 3.29Å; N68-F72 WeakPolarHBondContact O-CD2 3.31Å; N68-F72 WeakPolarHBondContact O-CE2 3.47Å; N68-L114 HydrophobicContact CB-CD1 3.95Å | ||
| 69 | T | 89.2 | Confident | 85.7 | Confident | 53 Ų | 53 | 61.7 Ų | 61.7 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -47.4 | -41.6 | -175.7 | -68.2 | 0 | 0 | 0 | 0 | 113.5 | D67 L71 F72 L75 Q111 | D67-T69 WeakPolarHBondContact OD1-CB 3.43Å; D67-T69 PolarHBondContact OD1-N 3.33Å; D67-T69 PolarHBondContact OD1-OG1 2.9Å; T69-L71 VanDerWaalsContact C-N 3.27Å; T69-L71 PolarHBondContact O-N 3.36Å; T69-F72 PolarHBondContact O-N 2.95Å; T69-L75 HydrophobicContact CG2-CD2 4.28Å; T69-Q111 PolarHBondContact OG1-NE2 3.45Å; T69-Q111 VanDerWaalsContact OG1-NE2 3.08Å |
| 70 | E | 88.1 | Confident | 86 | Confident | 85 Ų | 85 | 61.2 Ų | 61.2 | 40% | 0.397 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -73.7 | -12.9 | -177.5 | -74.6 | -83.5 | -144.9 | 0 | 0 | 114.1 | R43 N68 K81 | R43-E70 IonicContact CZ-OE1 3.3Å; R43-E70 VanDerWaalsContact CZ-OE1 3.3Å; R43-E70 IonicContact NH1-OE1 2.67Å; R43-E70 PolarHBondContact NH1-OE1 2.85Å; R43-E70 IonicContact NH2-OE1 3.13Å; R43-E70 PolarHBondContact NH2-OE1 2.86Å; R43-E70 VanDerWaalsContact NH2-OE1 3.13Å; N68-E70 PolarHBondContact O-N 2.75Å; N68-E70 VanDerWaalsContact O-N 3.08Å; E70-K81 PolarHBondContact O-NZ 3.45Å; E70-K81 IonicContact OE2-NZ 3.85Å |
| 71 | L | 90.4 | Very high | 86.4 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -86.7 | -19 | 176.2 | -55 | -174.8 | 0 | 0 | 0 | 113 | V39 D41 N68 T69 L80 K81 L84 D89 F90 L114 | V39-L71 HydrophobicContact CG1-CD1 3.68Å; D41-L71 HydrophobicContact CB-CD1 4.38Å; D41-L71 HydrophobicContact CB-CG 4.28Å; N68-L71 HydrophobicContact CB-CD1 4.32Å; N68-L71 WeakPolarHBondContact O-CB 3.41Å; N68-L71 PolarHBondContact O-N 3.07Å; T69-L71 VanDerWaalsContact C-N 3.27Å; T69-L71 PolarHBondContact O-N 3.36Å; L71-L80 HydrophobicContact CB-CD2 3.79Å; L71-L80 WeakPolarHBondContact O-CA 3.43Å; L71-K81 PolarHBondContact O-N 3.31Å; L71-L84 HydrophobicContact CB-CD1 4.22Å; L71-L84 HydrophobicContact CD2-CD1 4.31Å; L71-L84 HydrophobicContact CD2-CD2 4.42Å; L71-D89 HydrophobicContact CD2-CB 4.44Å; L71-F90 HydrophobicContact CD1-CB 4.11Å; L71-F90 HydrophobicContact CD2-CB 4.09Å; L71-L114 HydrophobicContact CD1-CD1 4.17Å |
| 72 | F | 89.9 | Confident | 86.6 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -86 | 142.4 | -175.3 | -59.2 | -56.7 | 0 | 0 | 0 | 113 | N68 T69 L75 Y78 H79 L80 K81 Q111 P112 L114 | N68-F72 HydrophobicContact CB-CE2 3.82Å; N68-F72 HydrophobicContact CB-CZ 3.96Å; N68-F72 VanDerWaalsContact O-CD2 3.29Å; N68-F72 WeakPolarHBondContact O-CD2 3.31Å; N68-F72 WeakPolarHBondContact O-CE2 3.47Å; T69-F72 PolarHBondContact O-N 2.95Å; F72-L75 HydrophobicContact CB-CD2 4.17Å; F72-L75 HydrophobicContact CD2-CD2 4.01Å; F72-Y78 HydrophobicContact CD1-CD1 4.45Å; F72-Y78 VanDerWaalsContact CD1-O 3.23Å; F72-Y78 WeakPolarHBondContact CD1-O 3.41Å; F72-Y78 AromaticContact CD2-CD1 3.98Å; F72-Y78 HydrophobicContact CD2-CD1 3.98Å; F72-Y78 HydrophobicContact CE1-CD1 4.31Å; F72-Y78 VanDerWaalsContact CE1-O 3.3Å; F72-Y78 WeakPolarHBondContact CE1-O 3.28Å; F72-Y78 AromaticContact CE2-CD1 3.83Å; F72-Y78 HydrophobicContact CE2-CD1 3.83Å; F72-Y78 HydrophobicContact CG-CD1 4.3Å; F72-Y78 HydrophobicContact CZ-CD1 4Å; F72-H79 CarbonylContact C-O 3.59Å; F72-H79 VanDerWaalsContact CA-O 3.22Å; F72-H79 WeakPolarHBondContact CA-O 3.11Å; F72-L80 HydrophobicContact CD1-CD2 4.44Å; F72-L80 HydrophobicContact CE1-CD2 4.48Å; F72-K81 WeakPolarHBondContact O-CE 3.3Å; F72-Q111 HydrophobicContact CE2-CG 4.23Å; F72-P112 HydrophobicContact CZ-CG 4.49Å; F72-L114 HydrophobicContact CE1-CD1 4.25Å; F72-L114 HydrophobicContact CE1-CD2 3.75Å; F72-L114 HydrophobicContact CZ-CD1 4.23Å; F72-L114 HydrophobicContact CZ-CD2 3.97Å; F72-L114 HydrophobicContact CZ-CG 4.49Å |
| 73 | E | 86.4 | Confident | 86.4 | Confident | 137 Ų | 137 | 68.2 Ų | 68.2 | 64% | 0.64 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -74 | -42.3 | 171.2 | -176.6 | 166 | -171.4 | 0 | 0 | 110.8 | H79 K81 | E73-H79 PolarHBondContact N-O 3.11Å; E73-K81 HydrophobicContact CB-CG 4.17Å |
| 74 | D | 83 | Confident | 86.6 | Confident | 61 Ų | 61 | 68.7 Ų | 68.7 | 33% | 0.326 | 34% | 0.338 | S | S | . | . | trans | -141.4 | 159.9 | 172.2 | 83.5 | 82.1 | 0 | 0 | 0 | 111.6 | D76 S77 Y78 | D74-D76 WeakPolarHBondContact OD1-CA 3.39Å; D74-D76 WeakPolarHBondContact OD1-CB 3.43Å; D74-D76 PolarHBondContact OD1-N 3.06Å; D74-S77 VanDerWaalsContact CG-OG 3.31Å; D74-S77 PolarHBondContact OD1-N 3.37Å; D74-S77 PolarHBondContact OD1-OG 2.97Å; D74-S77 WeakPolarHBondContact OD2-CB 3.43Å; D74-S77 PolarHBondContact OD2-OG 2.72Å; D74-Y78 PolarHBondContact O-N 3.45Å | ||
| 75 | L | 81.7 | Confident | 86.6 | Confident | 91 Ų | 91 | 70.7 Ų | 70.7 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 2.1 | -174.5 | -59.1 | 178.5 | 0 | 0 | 0 | 114.2 | T69 F72 | T69-L75 HydrophobicContact CG2-CD2 4.28Å; F72-L75 HydrophobicContact CB-CD2 4.17Å; F72-L75 HydrophobicContact CD2-CD2 4.01Å |
| 76 | D | 79 | Confident | 86.4 | Confident | 164 Ų | 164 | 69.8 Ų | 69.8 | 88% | 0.877 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -32.4 | 175.4 | -67.1 | -44.8 | 0 | 0 | 0 | 111.2 | D74 | D74-D76 WeakPolarHBondContact OD1-CA 3.39Å; D74-D76 WeakPolarHBondContact OD1-CB 3.43Å; D74-D76 PolarHBondContact OD1-N 3.06Å |
| 77 | S | 78.7 | Confident | 86.2 | Confident | 61 Ų | 61 | 73.7 Ų | 73.7 | 43% | 0.427 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -24.5 | 179.5 | 85.4 | 0 | 0 | 0 | 0 | 114.3 | D74 H79 | D74-S77 VanDerWaalsContact CG-OG 3.31Å; D74-S77 PolarHBondContact OD1-N 3.37Å; D74-S77 PolarHBondContact OD1-OG 2.97Å; D74-S77 WeakPolarHBondContact OD2-CB 3.43Å; D74-S77 PolarHBondContact OD2-OG 2.72Å; S77-H79 PolarHBondContact O-N 3.23Å; S77-H79 PolarHBondContact OG-N 3.15Å; S77-H79 VanDerWaalsContact OG-N 3.08Å |
| 78 | Y | 83.4 | Confident | 86.1 | Confident | 75 Ų | 75 | 77.1 Ų | 77.1 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | trans | 55.6 | 29.8 | -169.6 | -55.3 | -70.4 | 0 | 0 | 0 | 114.5 | F72 D74 G110 Q111 P112 | F72-Y78 HydrophobicContact CD1-CD1 4.45Å; F72-Y78 VanDerWaalsContact CD1-O 3.23Å; F72-Y78 WeakPolarHBondContact CD1-O 3.41Å; F72-Y78 AromaticContact CD2-CD1 3.98Å; F72-Y78 HydrophobicContact CD2-CD1 3.98Å; F72-Y78 HydrophobicContact CE1-CD1 4.31Å; F72-Y78 VanDerWaalsContact CE1-O 3.3Å; F72-Y78 WeakPolarHBondContact CE1-O 3.28Å; F72-Y78 AromaticContact CE2-CD1 3.83Å; F72-Y78 HydrophobicContact CE2-CD1 3.83Å; F72-Y78 HydrophobicContact CG-CD1 4.3Å; F72-Y78 HydrophobicContact CZ-CD1 4Å; D74-Y78 PolarHBondContact O-N 3.45Å; Y78-G110 PolarHBondContact OH-O 2.9Å; Y78-Q111 HydrophobicContact CE1-CG 4.2Å; Y78-P112 HydrophobicContact CD2-CG 4.08Å; Y78-P112 VanDerWaalsContact CG-CD 3.47Å; Y78-P112 HydrophobicContact CG-CG 3.87Å | ||
| 79 | H | 83.7 | Confident | 86 | Confident | 92 Ų | 92 | 80.4 Ų | 80.4 | 43% | 0.426 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 138.1 | 169 | -114.3 | 79.4 | 0 | 0 | 0 | 111.3 | F72 E73 S77 Q149 | F72-H79 CarbonylContact C-O 3.59Å; F72-H79 VanDerWaalsContact CA-O 3.22Å; F72-H79 WeakPolarHBondContact CA-O 3.11Å; E73-H79 PolarHBondContact N-O 3.11Å; S77-H79 PolarHBondContact O-N 3.23Å; S77-H79 PolarHBondContact OG-N 3.15Å; S77-H79 VanDerWaalsContact OG-N 3.08Å; H79-Q149 PolarHBondContact NE2-NE2 2.99Å |
| 80 | L | 86.8 | Confident | 86.3 | Confident | 12 Ų | 12 | 78.1 Ų | 78.1 | 6% | 0.063 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -68.8 | 136.6 | 169.1 | -72.8 | -176.3 | 0 | 0 | 0 | 109.9 | L71 F72 L84 L114 R116 V129 Y130 | L71-L80 HydrophobicContact CB-CD2 3.79Å; L71-L80 WeakPolarHBondContact O-CA 3.43Å; F72-L80 HydrophobicContact CD1-CD2 4.44Å; F72-L80 HydrophobicContact CE1-CD2 4.48Å; L80-L84 HydrophobicContact CB-CD1 4.23Å; L80-L84 HydrophobicContact CD2-CD1 4.06Å; L80-L114 HydrophobicContact CD2-CD1 4.07Å; L80-R116 VanDerWaalsContact CD1-NH2 3.28Å; L80-V129 HydrophobicContact CD1-CG1 4.06Å; L80-Y130 HydrophobicContact CB-CE1 3.98Å; L80-Y130 HydrophobicContact CD1-CE1 4.46Å |
| 81 | K | 87.4 | Confident | 86.5 | Confident | 74 Ų | 74 | 75.6 Ų | 75.6 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -49.2 | 143.6 | 165.5 | -71.6 | 166.3 | 173.4 | 156 | 0 | 110.1 | E70 L71 F72 E73 L84 Y130 | E70-K81 PolarHBondContact O-NZ 3.45Å; E70-K81 IonicContact OE2-NZ 3.85Å; L71-K81 PolarHBondContact O-N 3.31Å; F72-K81 WeakPolarHBondContact O-CE 3.3Å; E73-K81 HydrophobicContact CB-CG 4.17Å; K81-L84 HydrophobicContact CB-CD1 4.42Å; K81-L84 HydrophobicContact CB-CD2 4.12Å; K81-L84 HydrophobicContact CB-CG 4.18Å; K81-L84 HydrophobicContact CD-CD2 4.48Å; K81-Y130 WeakPolarHBondContact O-CE1 3.35Å; K81-Y130 PolarHBondContact O-OH 2.84Å |
| 82 | E | 83.4 | Confident | 86.6 | Confident | 131 Ų | 131 | 76.4 Ų | 76.4 | 61% | 0.612 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 149.9 | 169.8 | -77 | -159.3 | 172 | 0 | 0 | 112.1 | L84 | E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 3.35Å |
| 83 | R | 82.2 | Confident | 86.7 | Confident | 200 Ų | 200 | 76.1 Ų | 76.1 | 76% | 0.755 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 23.6 | 163.5 | -54.6 | 152.8 | -154.4 | -111.6 | -2.8 | 116.1 | Y130 | R83-Y130 PolarHBondContact N-OH 3.45Š|
| 84 | L | 89.6 | Confident | 87.1 | Confident | 21 Ų | 21 | 69.8 Ų | 69.8 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | trans | -56.4 | 140.5 | 170.2 | -62.5 | 166.1 | 0 | 0 | 0 | 110 | L71 L80 K81 E82 D89 F90 Y130 | L71-L84 HydrophobicContact CB-CD1 4.22Å; L71-L84 HydrophobicContact CD2-CD1 4.31Å; L71-L84 HydrophobicContact CD2-CD2 4.42Å; L80-L84 HydrophobicContact CB-CD1 4.23Å; L80-L84 HydrophobicContact CD2-CD1 4.06Å; K81-L84 HydrophobicContact CB-CD1 4.42Å; K81-L84 HydrophobicContact CB-CD2 4.12Å; K81-L84 HydrophobicContact CB-CG 4.18Å; K81-L84 HydrophobicContact CD-CD2 4.48Å; E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 3.35Å; L84-D89 WeakPolarHBondContact CA-OD2 3.46Å; L84-D89 HydrophobicContact CB-CB 4.28Å; L84-D89 HydrophobicContact CD2-CB 3.8Å; L84-F90 HydrophobicContact CB-CD1 3.79Å; L84-F90 HydrophobicContact CB-CE1 3.82Å; L84-Y130 VanDerWaalsContact CB-OH 3.25Å; L84-Y130 WeakPolarHBondContact CB-OH 3.34Å; L84-Y130 VanDerWaalsContact CG-OH 3.31Å; L84-Y130 WeakPolarHBondContact CG-OH 3.21Å; L84-Y130 PolarHBondContact N-OH 3.37Å | ||
| 85 | V | 87.4 | Confident | 87.6 | Confident | 66 Ų | 66 | 68.1 Ų | 68.1 | 40% | 0.4 | 34% | 0.336 | S | S | . | . | trans | -107.7 | 127.6 | -175.8 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | N87 E88 D89 | V85-N87 PolarHBondContact O-N 2.76Å; V85-E88 HydrophobicContact CB-CB 3.93Å; V85-E88 HydrophobicContact CB-CG 4.39Å; V85-E88 HydrophobicContact CG1-CB 3.85Å; V85-E88 HydrophobicContact CG1-CG 3.78Å; V85-E88 PolarHBondContact O-N 2.75Å; V85-D89 PolarHBondContact N-OD2 3.49Å; V85-D89 PolarHBondContact O-N 3.08Å | ||
| 86 | E | 88.4 | Confident | 88.1 | Confident | 72 Ų | 72 | 66.2 Ų | 66.2 | 34% | 0.336 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -64.2 | 130.4 | 178.3 | -165.3 | -159 | 130.3 | 0 | 0 | 110.5 | E88 F90 L92 K126 | E86-E88 PolarHBondContact O-N 3.36Å; E86-F90 HydrophobicContact CB-CE1 4.3Å; E86-F90 HydrophobicContact CB-CE2 3.99Å; E86-F90 HydrophobicContact CB-CZ 3.69Å; E86-F90 HydrophobicContact CG-CE2 3.88Å; E86-F90 HydrophobicContact CG-CZ 4.1Å; E86-L92 HydrophobicContact CG-CD1 3.91Å; E86-L92 HydrophobicContact CG-CG 4.14Å; E86-K126 IonicContact OE2-NZ 2.77Å |
| 87 | N | 88 | Confident | 88.7 | Confident | 81 Ų | 81 | 58.4 Ų | 58.4 | 43% | 0.433 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 2.8 | -171.2 | -44.7 | -91.7 | 0 | 0 | 0 | 115.2 | R42 V85 F90 M91 | R42-N87 PolarHBondContact NE-O 2.93Å; R42-N87 PolarHBondContact NH1-O 2.93Å; R42-N87 PolarHBondContact NH2-O 2.63Å; V85-N87 PolarHBondContact O-N 2.76Å; N87-F90 PolarHBondContact N-O 3.11Å; N87-M91 HydrophobicContact CB-SD 4.47Å; N87-M91 WeakPolarHBondContact OD1-CE 3.48Å |
| 88 | E | 88.9 | Confident | 89.5 | Confident | 134 Ų | 134 | 55.7 Ų | 55.7 | 63% | 0.626 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | -54.4 | 167.4 | -66.9 | -164.9 | 162.6 | 0 | 0 | 111.8 | R42 V85 E86 | R42-E88 WeakPolarHBondContact CD-O 3.39Å; R42-E88 PolarHBondContact NH1-O 2.81Å; R42-E88 VanDerWaalsContact NH1-O 3.14Å; V85-E88 HydrophobicContact CB-CB 3.93Å; V85-E88 HydrophobicContact CB-CG 4.39Å; V85-E88 HydrophobicContact CG1-CB 3.85Å; V85-E88 HydrophobicContact CG1-CG 3.78Å; V85-E88 PolarHBondContact O-N 2.75Å; E86-E88 PolarHBondContact O-N 3.36Å |
| 89 | D | 90.9 | Very high | 90 | Very high | 69 Ų | 69 | 57.1 Ų | 57.1 | 37% | 0.369 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -39.6 | 178.8 | -56.7 | -62.6 | 0 | 0 | 0 | 113 | R42 L71 L84 V85 | R42-D89 WeakPolarHBondContact CB-O 3.25Å; R42-D89 PolarHBondContact N-O 3.42Å; L71-D89 HydrophobicContact CD2-CB 4.44Å; L84-D89 WeakPolarHBondContact CA-OD2 3.46Å; L84-D89 HydrophobicContact CB-CB 4.28Å; L84-D89 HydrophobicContact CD2-CB 3.8Å; V85-D89 PolarHBondContact N-OD2 3.49Å; V85-D89 PolarHBondContact O-N 3.08Å |
| 90 | F | 94.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 2% | 0.022 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 160.3 | -175.3 | 70.7 | -87.2 | 0 | 0 | 0 | 113.1 | V39 V40 L71 L84 E86 N87 L92 V129 | V39-F90 HydrophobicContact CG1-CB 3.79Å; V39-F90 HydrophobicContact CG1-CD2 3.77Å; V39-F90 HydrophobicContact CG1-CG 3.84Å; V39-F90 HydrophobicContact CG2-CD2 4.4Å; V40-F90 CarbonylContact O-C 3.53Å; V40-F90 WeakPolarHBondContact O-CA 2.9Å; V40-F90 WeakPolarHBondContact O-CB 3.48Å; L71-F90 HydrophobicContact CD1-CB 4.11Å; L71-F90 HydrophobicContact CD2-CB 4.09Å; L84-F90 HydrophobicContact CB-CD1 3.79Å; L84-F90 HydrophobicContact CB-CE1 3.82Å; E86-F90 HydrophobicContact CB-CE1 4.3Å; E86-F90 HydrophobicContact CB-CE2 3.99Å; E86-F90 HydrophobicContact CB-CZ 3.69Å; E86-F90 HydrophobicContact CG-CE2 3.88Å; E86-F90 HydrophobicContact CG-CZ 4.1Å; N87-F90 PolarHBondContact N-O 3.11Å; F90-L92 HydrophobicContact CD2-CD2 4.24Å; F90-L92 HydrophobicContact CD2-CG 4.32Å; F90-L92 HydrophobicContact CE2-CD1 4.48Å; F90-L92 HydrophobicContact CE2-CD2 3.79Å; F90-L92 HydrophobicContact CE2-CG 3.85Å; F90-V129 HydrophobicContact CE2-CG1 4.49Å; F90-V129 HydrophobicContact CE2-CG2 3.95Å; F90-V129 HydrophobicContact CZ-CG1 4.09Å; F90-V129 HydrophobicContact CZ-CG2 3.88Å |
| 91 | M | 92 | Very high | 90.6 | Very high | 32 Ų | 32 | 55 Ų | 55 | 16% | 0.158 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 146.2 | 171.5 | -62.3 | -58.3 | -59.1 | 0 | 0 | 110.4 | V40 R42 F45 N87 | V40-M91 PolarHBondContact N-O 3.33Å; V40-M91 PolarHBondContact O-N 3.37Å; R42-M91 HydrophobicContact CB-CG 4.33Å; R42-M91 HydrophobicContact CG-CG 4.17Å; R42-M91 HydrophobicContact CG-SD 4.22Å; F45-M91 HydrophobicContact CB-CB 4.33Å; F45-M91 HydrophobicContact CB-CG 3.93Å; F45-M91 HydrophobicContact CD1-CB 4.27Å; F45-M91 HydrophobicContact CD1-CG 3.71Å; F45-M91 HydrophobicContact CD2-CB 4.46Å; F45-M91 HydrophobicContact CE1-CE 4.44Å; F45-M91 HydrophobicContact CE1-CG 4.44Å; F45-M91 HydrophobicContact CG-CB 4.08Å; F45-M91 HydrophobicContact CG-CG 3.84Å; N87-M91 HydrophobicContact CB-SD 4.47Å; N87-M91 WeakPolarHBondContact OD1-CE 3.48Å |
| 92 | L | 92.6 | Very high | 90.8 | Very high | 20 Ų | 20 | 54.1 Ų | 54.1 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 128.9 | 172.5 | -70.3 | 175 | 0 | 0 | 0 | 110.3 | W37 V39 E86 F90 V127 V129 | W37-L92 HydrophobicContact CE3-CB 3.99Å; W37-L92 HydrophobicContact CZ3-CB 4.4Å; V39-L92 HydrophobicContact CG2-CD2 4.05Å; E86-L92 HydrophobicContact CG-CD1 3.91Å; E86-L92 HydrophobicContact CG-CG 4.14Å; F90-L92 HydrophobicContact CD2-CD2 4.24Å; F90-L92 HydrophobicContact CD2-CG 4.32Å; F90-L92 HydrophobicContact CE2-CD1 4.48Å; F90-L92 HydrophobicContact CE2-CD2 3.79Å; F90-L92 HydrophobicContact CE2-CG 3.85Å; L92-V127 HydrophobicContact CD1-CB 3.9Å; L92-V127 HydrophobicContact CD1-CG2 4Å; L92-V127 HydrophobicContact CD2-CB 4.26Å; L92-V127 HydrophobicContact CD2-CG1 3.96Å; L92-V129 HydrophobicContact CD2-CG2 4.18Å |
| 93 | V | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 123.4 | -175 | -177 | 0 | 0 | 0 | 0 | 110.4 | W37 Y38 V40 F45 A97 W98 L101 | W37-V93 CarbonylContact C-O 3.53Å; W37-V93 WeakPolarHBondContact CA-O 3.5Å; Y38-V93 PolarHBondContact N-O 3.11Å; Y38-V93 PolarHBondContact O-N 2.98Å; V40-V93 HydrophobicContact CB-CG2 4.36Å; V40-V93 HydrophobicContact CG2-CB 4.27Å; V40-V93 HydrophobicContact CG2-CG2 3.7Å; F45-V93 HydrophobicContact CD2-CG2 4.29Å; F45-V93 HydrophobicContact CE2-CG2 4.06Å; V93-A97 HydrophobicContact CG1-CB 3.51Å; V93-W98 HydrophobicContact CG1-CB 4.29Å; V93-L101 HydrophobicContact CG1-CD1 4.2Å |
| 94 | P | 94 | Very high | 91.6 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 3% | 0.032 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 148.1 | 175.9 | -20.9 | 27.9 | 0 | 0 | 0 | 112 | L26 S29 W37 A96 A97 W98 | L26-P94 HydrophobicContact CD2-CG 4.38Å; S29-P94 WeakPolarHBondContact OG-CG 3.47Å; W37-P94 HydrophobicContact CD2-CB 4.38Å; W37-P94 HydrophobicContact CD2-CG 4.28Å; W37-P94 HydrophobicContact CE3-CG 3.98Å; W37-P94 HydrophobicContact CH2-CG 3.66Å; W37-P94 HydrophobicContact CZ2-CB 4.36Å; W37-P94 HydrophobicContact CZ2-CG 3.9Å; W37-P94 HydrophobicContact CZ3-CG 3.68Å; P94-A96 PolarHBondContact O-N 3.5Å; P94-A97 WeakPolarHBondContact O-CA 3.43Å; P94-A97 PolarHBondContact O-N 2.82Å; P94-W98 PolarHBondContact O-N 2.93Å |
| 95 | A | 93.4 | Very high | 91.6 | Very high | 25 Ų | 25 | 44.8 Ų | 44.8 | 21% | 0.207 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -49.2 | -39.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S36 Y38 A97 W98 H99 | S36-A95 VanDerWaalsContact O-CB 3.27Å; S36-A95 WeakPolarHBondContact O-CB 3.44Å; S36-A95 PolarHBondContact O-N 3.42Å; Y38-A95 HydrophobicContact CE2-CB 3.88Å; A95-A97 VanDerWaalsContact C-N 3.3Å; A95-A97 PolarHBondContact O-N 3.04Å; A95-W98 PolarHBondContact O-N 2.87Å; A95-H99 PolarHBondContact O-N 2.94Å; A95-H99 PolarHBondContact O-ND1 3.26Å |
| 96 | A | 92.3 | Very high | 91.7 | Very high | 52 Ų | 52 | 42.7 Ų | 42.7 | 43% | 0.43 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.8 | -33 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L25 P94 K100 | L25-A96 HydrophobicContact CD1-CB 4.14Å; L25-A96 HydrophobicContact CD2-CB 3.9Å; P94-A96 PolarHBondContact O-N 3.5Å; A96-K100 WeakPolarHBondContact O-CG 3.36Å |
| 97 | A | 92.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -82.4 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I22 L25 V93 P94 A95 H99 K100 L101 | I22-A97 HydrophobicContact CD1-CB 3.8Å; L25-A97 HydrophobicContact CB-CB 4.11Å; L25-A97 HydrophobicContact CD1-CB 4.15Å; V93-A97 HydrophobicContact CG1-CB 3.51Å; P94-A97 WeakPolarHBondContact O-CA 3.43Å; P94-A97 PolarHBondContact O-N 2.82Å; A95-A97 VanDerWaalsContact C-N 3.3Å; A95-A97 PolarHBondContact O-N 3.04Å; A97-H99 PolarHBondContact O-N 3.24Å; A97-K100 WeakPolarHBondContact O-CB 3.34Å; A97-K100 PolarHBondContact O-N 3.41Å; A97-L101 WeakPolarHBondContact O-CG 3.38Å; A97-L101 PolarHBondContact O-N 2.86Å |
| 98 | W | 94.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.011 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.2 | -50.6 | 175.3 | 169.3 | -105.7 | 0 | 0 | 0 | 112.2 | Y38 V40 I66 V93 P94 A95 K100 L101 L102 M107 A113 | Y38-W98 AromaticContact CD1-CD1 3.64Å; Y38-W98 AromaticContact CD1-CD2 3.8Å; Y38-W98 HydrophobicContact CD1-CD2 3.8Å; Y38-W98 AromaticContact CD1-CE2 3.7Å; Y38-W98 AromaticContact CD1-CG 3.8Å; Y38-W98 HydrophobicContact CD1-CG 3.8Å; Y38-W98 HydrophobicContact CD1-CZ2 4.37Å; Y38-W98 AromaticContact CD1-NE1 3.55Å; Y38-W98 HydrophobicContact CD2-CB 3.4Å; Y38-W98 AromaticContact CD2-CD1 3.49Å; Y38-W98 VanDerWaalsContact CD2-CD1 3.49Å; Y38-W98 HydrophobicContact CD2-CD2 4.14Å; Y38-W98 AromaticContact CD2-CG 3.37Å; Y38-W98 HydrophobicContact CD2-CG 3.37Å; Y38-W98 AromaticContact CE1-CD1 3.65Å; Y38-W98 HydrophobicContact CE1-CG 4.26Å; Y38-W98 AromaticContact CE1-NE1 3.55Å; Y38-W98 HydrophobicContact CE2-CB 4.06Å; Y38-W98 AromaticContact CE2-CD1 3.5Å; Y38-W98 VanDerWaalsContact CE2-CD1 3.5Å; Y38-W98 AromaticContact CE2-CG 3.87Å; Y38-W98 HydrophobicContact CE2-CG 3.87Å; Y38-W98 HydrophobicContact CG-CB 3.77Å; Y38-W98 AromaticContact CG-CD1 3.57Å; Y38-W98 AromaticContact CG-CD2 3.59Å; Y38-W98 HydrophobicContact CG-CD2 3.59Å; Y38-W98 HydrophobicContact CG-CE3 4.2Å; Y38-W98 AromaticContact CG-CG 3.34Å; Y38-W98 HydrophobicContact CG-CG 3.34Å; Y38-W98 AromaticContact CG-NE1 3.94Å; Y38-W98 AromaticContact CZ-CD1 3.6Å; Y38-W98 AromaticContact CZ-NE1 3.94Å; V40-W98 HydrophobicContact CG2-CE3 3.93Å; V40-W98 HydrophobicContact CG2-CZ3 3.85Å; I66-W98 HydrophobicContact CD1-CE3 4.39Å; I66-W98 HydrophobicContact CD1-CH2 4.03Å; I66-W98 HydrophobicContact CD1-CZ3 3.76Å; I66-W98 HydrophobicContact CG2-CH2 4.18Å; I66-W98 HydrophobicContact CG2-CZ3 4.05Å; V93-W98 HydrophobicContact CG1-CB 4.29Å; P94-W98 PolarHBondContact O-N 2.93Å; A95-W98 PolarHBondContact O-N 2.87Å; W98-K100 PolarHBondContact O-N 3.05Å; W98-L101 PolarHBondContact O-N 2.67Å; W98-L102 HydrophobicContact CZ2-CD1 4.25Å; W98-L102 HydrophobicContact CZ2-CD2 4.18Å; W98-L102 WeakPolarHBondContact O-CB 3.24Å; W98-L102 PolarHBondContact O-N 2.88Å; W98-M107 HydrophobicContact CH2-SD 3.93Å; W98-M107 HydrophobicContact CZ2-SD 4.14Å; W98-A113 HydrophobicContact CZ2-CB 3.67Å |
| 99 | H | 93.8 | Very high | 91.6 | Very high | 106 Ų | 106 | 40.2 Ų | 40.2 | 49% | 0.491 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.7 | -31.1 | 179.9 | -72.4 | 103.8 | 0 | 0 | 0 | 112.9 | A95 A97 Q103 | A95-H99 PolarHBondContact O-N 2.94Å; A95-H99 PolarHBondContact O-ND1 3.26Å; A97-H99 PolarHBondContact O-N 3.24Å; H99-Q103 WeakPolarHBondContact O-CB 3.34Å; H99-Q103 PolarHBondContact O-N 3.02Å |
| 100 | K | 92.1 | Very high | 91.1 | Very high | 60 Ų | 60 | 39.7 Ų | 39.7 | 26% | 0.261 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -70.6 | -50.7 | 173.8 | -75 | 172.5 | 177.6 | -70.7 | 0 | 111.7 | E21 I22 L25 A96 A97 W98 L102 Q103 W104 | E21-K100 IonicContact OE2-NZ 2.76Å; E21-K100 PolarHBondContact OE2-NZ 3.34Å; I22-K100 HydrophobicContact CD1-CB 3.93Å; I22-K100 HydrophobicContact CD1-CD 4.14Å; L25-K100 HydrophobicContact CD1-CD 3.75Å; A96-K100 WeakPolarHBondContact O-CG 3.36Å; A97-K100 WeakPolarHBondContact O-CB 3.34Å; A97-K100 PolarHBondContact O-N 3.41Å; W98-K100 PolarHBondContact O-N 3.05Å; K100-L102 VanDerWaalsContact C-N 3.33Å; K100-L102 PolarHBondContact O-N 3.4Å; K100-Q103 PolarHBondContact O-N 3.01Å; K100-Q103 VanDerWaalsContact O-N 3.14Å; K100-W104 HydrophobicContact CB-CD2 4.36Å; K100-W104 HydrophobicContact CB-CE3 4.35Å; K100-W104 HydrophobicContact CB-CH2 3.84Å; K100-W104 HydrophobicContact CB-CZ2 3.82Å; K100-W104 HydrophobicContact CB-CZ3 4.1Å; K100-W104 HydrophobicContact CD-CH2 4.05Å; K100-W104 HydrophobicContact CD-CZ2 4.14Å; K100-W104 HydrophobicContact CG-CH2 4.26Å; K100-W104 HydrophobicContact CG-CZ2 4.02Å; K100-W104 WeakPolarHBondContact O-CB 3.43Å; K100-W104 VanDerWaalsContact O-CD2 3.24Å; K100-W104 PolarHBondContact O-N 3.05Å |
| 101 | L | 91.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.5 | -45.8 | 177.8 | -65.5 | 172.7 | 0 | 0 | 0 | 111.1 | I22 W44 F45 W48 I66 V93 A97 W98 Q103 W104 Y105 | I22-L101 HydrophobicContact CD1-CD2 4.17Å; I22-L101 HydrophobicContact CD1-CG 4.03Å; I22-L101 HydrophobicContact CG1-CD2 4.18Å; W44-L101 HydrophobicContact CH2-CD2 4.35Å; W44-L101 HydrophobicContact CZ3-CD1 4.38Å; F45-L101 HydrophobicContact CE2-CD1 4.46Å; W48-L101 HydrophobicContact CD2-CD2 4.15Å; W48-L101 HydrophobicContact CG-CD2 4.45Å; W48-L101 HydrophobicContact CZ2-CD2 4.15Å; I66-L101 HydrophobicContact CD1-CB 4.1Å; V93-L101 HydrophobicContact CG1-CD1 4.2Å; A97-L101 WeakPolarHBondContact O-CG 3.38Å; A97-L101 PolarHBondContact O-N 2.86Å; W98-L101 PolarHBondContact O-N 2.67Å; L101-Q103 VanDerWaalsContact C-N 3.34Å; L101-Q103 PolarHBondContact O-N 2.84Å; L101-W104 HydrophobicContact CD2-CE3 4.42Å; L101-W104 PolarHBondContact O-N 2.88Å; L101-Y105 PolarHBondContact O-N 2.87Å |
| 102 | L | 91.8 | Very high | 90.5 | Very high | 55 Ų | 55 | 41.2 Ų | 41.2 | 29% | 0.288 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.5 | -36.7 | 176.1 | -175.6 | 64.7 | 0 | 0 | 0 | 112.6 | W98 K100 G106 M107 | W98-L102 HydrophobicContact CZ2-CD1 4.25Å; W98-L102 HydrophobicContact CZ2-CD2 4.18Å; W98-L102 WeakPolarHBondContact O-CB 3.24Å; W98-L102 PolarHBondContact O-N 2.88Å; K100-L102 VanDerWaalsContact C-N 3.33Å; K100-L102 PolarHBondContact O-N 3.4Å; L102-G106 VanDerWaalsContact O-CA 3.29Å; L102-G106 WeakPolarHBondContact O-CA 3.1Å; L102-G106 PolarHBondContact O-N 2.77Å; L102-G106 VanDerWaalsContact O-N 3.08Å; L102-M107 HydrophobicContact CD1-CB 3.73Å |
| 103 | Q | 91.4 | Very high | 90.4 | Very high | 110 Ų | 110 | 42.4 Ų | 42.4 | 51% | 0.514 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.4 | -34.6 | 175.3 | -177.2 | 179.4 | 17.1 | 0 | 0 | 112.9 | H99 K100 L101 | H99-Q103 WeakPolarHBondContact O-CB 3.34Å; H99-Q103 PolarHBondContact O-N 3.02Å; K100-Q103 PolarHBondContact O-N 3.01Å; K100-Q103 VanDerWaalsContact O-N 3.14Å; L101-Q103 VanDerWaalsContact C-N 3.34Å; L101-Q103 PolarHBondContact O-N 2.84Å |
| 104 | W | 91.1 | Very high | 90.3 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -87.5 | -39.1 | -174 | -62.1 | -20.4 | 0 | 0 | 0 | 113.7 | P12 P13 Q18 E21 I22 K100 L101 | P12-W104 HydrophobicContact CB-CB 3.78Å; P12-W104 HydrophobicContact CB-CG 3.8Å; P13-W104 VanDerWaalsContact CD-NE1 3.33Å; P13-W104 HydrophobicContact CG-CH2 4.38Å; P13-W104 HydrophobicContact CG-CZ2 3.7Å; Q18-W104 HydrophobicContact CB-CE3 4.14Å; Q18-W104 HydrophobicContact CB-CH2 4.08Å; Q18-W104 HydrophobicContact CB-CZ3 3.62Å; Q18-W104 HydrophobicContact CG-CD2 4.22Å; Q18-W104 HydrophobicContact CG-CE3 3.77Å; Q18-W104 HydrophobicContact CG-CH2 4.02Å; Q18-W104 HydrophobicContact CG-CZ2 4.45Å; Q18-W104 HydrophobicContact CG-CZ3 3.66Å; E21-W104 HydrophobicContact CB-CH2 4.45Å; I22-W104 HydrophobicContact CD1-CH2 4.25Å; I22-W104 HydrophobicContact CD1-CZ3 3.95Å; I22-W104 HydrophobicContact CG1-CH2 4.14Å; I22-W104 HydrophobicContact CG1-CZ3 3.69Å; K100-W104 HydrophobicContact CB-CD2 4.36Å; K100-W104 HydrophobicContact CB-CE3 4.35Å; K100-W104 HydrophobicContact CB-CH2 3.84Å; K100-W104 HydrophobicContact CB-CZ2 3.82Å; K100-W104 HydrophobicContact CB-CZ3 4.1Å; K100-W104 HydrophobicContact CD-CH2 4.05Å; K100-W104 HydrophobicContact CD-CZ2 4.14Å; K100-W104 HydrophobicContact CG-CH2 4.26Å; K100-W104 HydrophobicContact CG-CZ2 4.02Å; K100-W104 WeakPolarHBondContact O-CB 3.43Å; K100-W104 VanDerWaalsContact O-CD2 3.24Å; K100-W104 PolarHBondContact O-N 3.05Å; L101-W104 HydrophobicContact CD2-CE3 4.42Å; L101-W104 PolarHBondContact O-N 2.88Å |
| 105 | Y | 89.6 | Confident | 90.2 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -112.3 | -23.2 | -172.8 | -66.6 | -84.6 | 0 | 0 | 0 | 113.2 | Q18 W44 W48 F51 F62 P63 G64 Q65 L101 | Q18-Y105 VanDerWaalsContact OE1-CE2 3.31Å; Q18-Y105 PolarHBondContact OE1-OH 2.8Å; W44-Y105 HydrophobicContact CH2-CD2 4.21Å; W44-Y105 HydrophobicContact CH2-CG 4.25Å; W44-Y105 HydrophobicContact CZ2-CD1 4.32Å; W44-Y105 HydrophobicContact CZ2-CD2 4.37Å; W44-Y105 AromaticContact CZ2-CG 3.95Å; W44-Y105 HydrophobicContact CZ2-CG 3.95Å; W48-Y105 AromaticContact CD1-CE2 3.52Å; W48-Y105 AromaticContact CD1-CZ 3.56Å; W48-Y105 AromaticContact NE1-CE2 3.57Å; W48-Y105 AromaticContact NE1-CZ 3.84Å; F51-Y105 HydrophobicContact CD1-CE1 4.45Å; F51-Y105 HydrophobicContact CE1-CE1 4.3Å; F51-Y105 WeakPolarHBondContact CE1-OH 3.47Å; F62-Y105 HydrophobicContact CD2-CE1 4.42Å; F62-Y105 HydrophobicContact CE2-CD1 4.18Å; F62-Y105 AromaticContact CE2-CE1 3.86Å; F62-Y105 HydrophobicContact CE2-CE1 3.86Å; P63-Y105 HydrophobicContact CG-CD1 3.79Å; P63-Y105 HydrophobicContact CG-CE1 3.53Å; G64-Y105 WeakPolarHBondContact O-CD1 3.18Å; Q65-Y105 WeakPolarHBondContact CA-O 3.46Å; L101-Y105 PolarHBondContact O-N 2.87Å |
| 106 | G | 89.6 | Confident | 90.1 | Very high | 22 Ų | 22 | 47.5 Ų | 47.5 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | trans | 69.6 | -172 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I66 L102 | I66-G106 WeakPolarHBondContact CB-O 3.44Å; I66-G106 VanDerWaalsContact CG1-O 3.29Å; I66-G106 WeakPolarHBondContact CG1-O 3.39Å; I66-G106 PolarHBondContact N-O 2.93Å; L102-G106 VanDerWaalsContact O-CA 3.29Å; L102-G106 WeakPolarHBondContact O-CA 3.1Å; L102-G106 PolarHBondContact O-N 2.77Å; L102-G106 VanDerWaalsContact O-N 3.08Å | ||
| 107 | M | 90.9 | Very high | 90.1 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 19% | 0.192 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -136.2 | 153.5 | 179.7 | -176.9 | 172.5 | 61.4 | 0 | 0 | 108.4 | Q65 I66 W98 L102 D109 Q111 A113 | Q65-M107 PolarHBondContact NE2-O 3.5Å; I66-M107 HydrophobicContact CB-CB 4.31Å; I66-M107 HydrophobicContact CB-CG 4.35Å; I66-M107 WeakPolarHBondContact O-CA 3.33Å; I66-M107 WeakPolarHBondContact O-CG 3.35Å; W98-M107 HydrophobicContact CH2-SD 3.93Å; W98-M107 HydrophobicContact CZ2-SD 4.14Å; L102-M107 HydrophobicContact CD1-CB 3.73Å; M107-D109 PolarHBondContact O-N 3.14Å; M107-Q111 WeakPolarHBondContact CE-O 3.47Å; M107-Q111 HydrophobicContact CG-CB 4.41Å; M107-A113 HydrophobicContact CE-CB 4.47Å |
| 108 | V | 89.6 | Confident | 90 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 26% | 0.261 | 27% | 0.269 | S | S | . | . | trans | -58.5 | 131.9 | -180 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | Q65 I66 D67 G110 Q111 | Q65-V108 HydrophobicContact CB-CG2 4.21Å; I66-V108 PolarHBondContact O-N 2.89Å; D67-V108 HydrophobicContact CB-CG2 3.69Å; V108-G110 PolarHBondContact O-N 3.19Å; V108-G110 VanDerWaalsContact O-N 3.11Å; V108-Q111 HydrophobicContact CB-CG 4.29Å; V108-Q111 HydrophobicContact CG1-CG 4.39Å; V108-Q111 PolarHBondContact O-N 3.47Å | ||
| 109 | D | 81.4 | Confident | 89.7 | Confident | 153 Ų | 153 | 49.8 Ų | 49.8 | 82% | 0.818 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 115.3 | -176.8 | -81.3 | -37.9 | 0 | 0 | 0 | 111.6 | M107 | M107-D109 PolarHBondContact O-N 3.14Š|
| 110 | G | 80.5 | Confident | 89.3 | Confident | 58 Ų | 58 | 49.6 Ų | 49.6 | 60% | 0.598 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109 | -24.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y78 V108 | Y78-G110 PolarHBondContact OH-O 2.9Å; V108-G110 PolarHBondContact O-N 3.19Å; V108-G110 VanDerWaalsContact O-N 3.11Å |
| 111 | Q | 87.5 | Confident | 88.8 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 144.2 | 179.7 | -67.6 | -176.6 | 8 | 0 | 0 | 112.2 | D67 T69 F72 Y78 M107 V108 | D67-Q111 PolarHBondContact OD1-NE2 2.88Å; T69-Q111 PolarHBondContact OG1-NE2 3.45Å; T69-Q111 VanDerWaalsContact OG1-NE2 3.08Å; F72-Q111 HydrophobicContact CE2-CG 4.23Å; Y78-Q111 HydrophobicContact CE1-CG 4.2Å; M107-Q111 WeakPolarHBondContact CE-O 3.47Å; M107-Q111 HydrophobicContact CG-CB 4.41Å; V108-Q111 HydrophobicContact CB-CG 4.29Å; V108-Q111 HydrophobicContact CG1-CG 4.39Å; V108-Q111 PolarHBondContact O-N 3.47Å |
| 112 | P | 88.1 | Confident | 88 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 34% | 0.338 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -82 | 149 | 172.1 | 32.7 | -33.8 | 0 | 0 | 0 | 112 | F72 Y78 L114 | F72-P112 HydrophobicContact CZ-CG 4.49Å; Y78-P112 HydrophobicContact CD2-CG 4.08Å; Y78-P112 VanDerWaalsContact CG-CD 3.47Å; Y78-P112 HydrophobicContact CG-CG 3.87Å; P112-L114 HydrophobicContact CG-CD2 4.35Å; P112-L114 PolarHBondContact O-N 2.84Å |
| 113 | A | 89.4 | Confident | 87.2 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 125.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y38 W98 M107 E115 | Y38-A113 HydrophobicContact CD1-CB 4.38Å; Y38-A113 HydrophobicContact CE1-CB 4.21Å; W98-A113 HydrophobicContact CZ2-CB 3.67Å; M107-A113 HydrophobicContact CE-CB 4.47Å; A113-E115 VanDerWaalsContact C-N 3.27Å; A113-E115 PolarHBondContact O-N 3.42Å |
| 114 | L | 90.8 | Very high | 86.8 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | trans | -86.3 | 62.3 | -171.3 | -55.6 | 179.6 | 0 | 0 | 0 | 112.4 | Y38 V39 N68 L71 F72 L80 P112 | Y38-L114 WeakPolarHBondContact CA-O 3.35Å; V39-L114 HydrophobicContact CB-CB 3.84Å; V39-L114 HydrophobicContact CB-CD1 4.2Å; V39-L114 HydrophobicContact CG1-CD1 4.2Å; V39-L114 PolarHBondContact N-O 2.98Å; N68-L114 HydrophobicContact CB-CD1 3.95Å; L71-L114 HydrophobicContact CD1-CD1 4.17Å; F72-L114 HydrophobicContact CE1-CD1 4.25Å; F72-L114 HydrophobicContact CE1-CD2 3.75Å; F72-L114 HydrophobicContact CZ-CD1 4.23Å; F72-L114 HydrophobicContact CZ-CD2 3.97Å; F72-L114 HydrophobicContact CZ-CG 4.49Å; L80-L114 HydrophobicContact CD2-CD1 4.07Å; P112-L114 HydrophobicContact CG-CD2 4.35Å; P112-L114 PolarHBondContact O-N 2.84Å | ||
| 115 | E | 92.8 | Very high | 86.6 | Confident | 78 Ų | 78 | 57.7 Ų | 57.7 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 135.5 | 175.6 | -168.1 | 170.2 | 153 | 0 | 0 | 111.4 | S36 Y38 A113 K117 | S36-E115 WeakPolarHBondContact CB-OE1 3.42Å; S36-E115 PolarHBondContact OG-OE1 3.44Å; Y38-E115 HydrophobicContact CD1-CB 4.03Å; Y38-E115 HydrophobicContact CE1-CB 3.47Å; Y38-E115 VanDerWaalsContact CE1-CB 3.47Å; Y38-E115 HydrophobicContact CE1-CG 3.87Å; Y38-E115 HydrophobicContact CE2-CG 4.45Å; Y38-E115 PolarHBondContact OH-OE2 2.88Å; A113-E115 VanDerWaalsContact C-N 3.27Å; A113-E115 PolarHBondContact O-N 3.42Å; E115-K117 WeakPolarHBondContact OE1-CE 3.37Å; E115-K117 IonicContact OE1-NZ 3.97Å; E115-K117 PolarHBondContact OE1-NZ 2.88Å |
| 116 | R | 91.6 | Very high | 86.6 | Confident | 53 Ų | 53 | 61.3 Ų | 61.3 | 20% | 0.2 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 156.6 | 174.6 | -62.6 | -60.8 | -177.2 | -93.5 | 6.1 | 109.1 | W37 V39 L80 V127 E128 V129 | W37-R116 PolarHBondContact N-O 2.84Å; W37-R116 PolarHBondContact O-N 3.16Å; W37-R116 VanDerWaalsContact O-O 3.06Å; V39-R116 HydrophobicContact CG2-CG 3.79Å; L80-R116 VanDerWaalsContact CD1-NH2 3.28Å; R116-V127 HydrophobicContact CB-CG1 3.48Å; R116-V127 VanDerWaalsContact CB-CG1 3.48Å; R116-E128 WeakPolarHBondContact CD-O 3.28Å; R116-V129 WeakPolarHBondContact CD-O 3.41Å; R116-V129 PolarHBondContact NE-O 2.9Å |
| 117 | K | 91.3 | Very high | 86.6 | Confident | 92 Ų | 92 | 60.5 Ų | 60.5 | 40% | 0.4 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 142.1 | -174.6 | -68.7 | -65.7 | -177.2 | 178.1 | 0 | 111.8 | G34 D35 S36 E115 V119 V127 E128 | G34-K117 WeakPolarHBondContact O-CD 3.42Å; G34-K117 PolarHBondContact O-NZ 2.91Å; G34-K117 VanDerWaalsContact O-NZ 3.17Å; D35-K117 WeakPolarHBondContact O-CA 3.5Å; S36-K117 PolarHBondContact OG-NZ 2.66Å; E115-K117 WeakPolarHBondContact OE1-CE 3.37Å; E115-K117 IonicContact OE1-NZ 3.97Å; E115-K117 PolarHBondContact OE1-NZ 2.88Å; K117-V119 PolarHBondContact O-N 2.96Å; K117-V127 CarbonylContact O-C 3.57Å; K117-V127 WeakPolarHBondContact O-CA 3.25Å; K117-E128 PolarHBondContact O-N 2.67Å |
| 118 | V | 90.1 | Very high | 86.5 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 121.5 | 164.9 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | L31 Q32 G34 D35 W37 L125 K126 V127 | L31-V118 HydrophobicContact CB-CG1 4.06Å; L31-V118 HydrophobicContact CD2-CG1 4.37Å; L31-V118 HydrophobicContact CD2-CG2 3.71Å; Q32-V118 WeakPolarHBondContact O-CB 3.46Å; Q32-V118 WeakPolarHBondContact O-CG1 3.32Å; G34-V118 PolarHBondContact N-O 3.33Å; D35-V118 HydrophobicContact CB-CB 4.37Å; D35-V118 HydrophobicContact CB-CG2 3.82Å; D35-V118 PolarHBondContact O-N 2.84Å; W37-V118 VanDerWaalsContact CD1-CG2 3.48Å; W37-V118 HydrophobicContact CG-CG2 4.37Å; V118-L125 HydrophobicContact CG1-CB 4.28Å; V118-L125 HydrophobicContact CG1-CD2 3.93Å; V118-K126 WeakPolarHBondContact CA-O 3.37Å; V118-V127 HydrophobicContact CG2-CG2 4.06Å |
| 119 | V | 88.8 | Confident | 86.3 | Confident | 8 Ų | 8 | 58 Ų | 58 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 145.6 | 173.8 | -66.1 | 0 | 0 | 0 | 0 | 110.1 | K117 L121 L125 K126 E128 S151 T153 | K117-V119 PolarHBondContact O-N 2.96Å; V119-L121 HydrophobicContact CB-CD2 4.4Å; V119-L121 HydrophobicContact CG2-CD1 4.33Å; V119-L121 HydrophobicContact CG2-CD2 3.79Å; V119-L121 HydrophobicContact CG2-CG 3.93Å; V119-L125 WeakPolarHBondContact O-CA 3.46Å; V119-K126 WeakPolarHBondContact CG2-O 3.45Å; V119-K126 PolarHBondContact N-O 2.63Å; V119-K126 PolarHBondContact O-N 3.05Å; V119-E128 HydrophobicContact CG1-CB 3.82Å; V119-E128 HydrophobicContact CG2-CB 3.86Å; V119-S151 WeakPolarHBondContact CG1-OG 3.23Å; V119-T153 HydrophobicContact CB-CG2 4Å; V119-T153 HydrophobicContact CG1-CG2 4.45Å |
| 120 | D | 85.4 | Confident | 86.6 | Confident | 101 Ų | 101 | 53.9 Ų | 53.9 | 54% | 0.54 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 105.3 | 173.7 | -164 | 16.6 | 0 | 0 | 0 | 108.8 | A33 L125 T153 | A33-D120 HydrophobicContact CB-CB 4.25Å; D120-L125 HydrophobicContact CB-CD2 3.79Å; D120-T153 VanDerWaalsContact O-CG2 3.3Å; D120-T153 WeakPolarHBondContact O-CG2 3.34Å |
| 121 | L | 82.4 | Confident | 86.9 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 20% | 0.199 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 149.6 | 177.1 | -51.6 | 175 | 0 | 0 | 0 | 108.5 | V119 S123 T124 R152 T153 L197 | V119-L121 HydrophobicContact CB-CD2 4.4Å; V119-L121 HydrophobicContact CG2-CD1 4.33Å; V119-L121 HydrophobicContact CG2-CD2 3.79Å; V119-L121 HydrophobicContact CG2-CG 3.93Å; L121-S123 PolarHBondContact O-N 3.3Å; L121-T124 WeakPolarHBondContact CB-O 3.31Å; L121-T124 PolarHBondContact N-O 3.28Å; L121-T124 PolarHBondContact O-N 3.23Å; L121-R152 HydrophobicContact CD2-CB 4.27Å; L121-T153 HydrophobicContact CD2-CG2 4.43Å; L121-L197 HydrophobicContact CD2-CD2 4.15Å |
| 122 | P | 74.6 | Confident | 87 | Confident | 107 Ų | 107 | 52.6 Ų | 52.6 | 70% | 0.695 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -5.3 | -168.4 | -30 | 36.1 | 0 | 0 | 0 | 118.9 | ||
| 123 | S | 73.7 | Confident | 87.1 | Confident | 117 Ų | 117 | 52.8 Ų | 52.8 | 82% | 0.818 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.4 | -16.3 | 175.1 | -56.4 | 0 | 0 | 0 | 0 | 115 | L121 | L121-S123 PolarHBondContact O-N 3.3Š|
| 124 | T | 83.8 | Confident | 87.3 | Confident | 88 Ų | 88 | 50.6 Ų | 50.6 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 135.7 | -176.9 | 51.7 | 0 | 0 | 0 | 0 | 112.3 | L121 | L121-T124 WeakPolarHBondContact CB-O 3.31Å; L121-T124 PolarHBondContact N-O 3.28Å; L121-T124 PolarHBondContact O-N 3.23Å |
| 125 | L | 87.7 | Confident | 87.4 | Confident | 67 Ų | 67 | 53.8 Ų | 53.8 | 35% | 0.351 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 132.7 | 158.9 | -74.4 | 155.4 | 0 | 0 | 0 | 110.1 | L31 A33 V118 V119 D120 | L31-L125 HydrophobicContact CB-CB 4.18Å; A33-L125 HydrophobicContact CB-CD2 3.92Å; V118-L125 HydrophobicContact CG1-CB 4.28Å; V118-L125 HydrophobicContact CG1-CD2 3.93Å; V119-L125 WeakPolarHBondContact O-CA 3.46Å; D120-L125 HydrophobicContact CB-CD2 3.79Å |
| 126 | K | 88.9 | Confident | 87.5 | Confident | 100 Ų | 100 | 50 Ų | 50 | 44% | 0.435 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 151.1 | 176.7 | -171.6 | 170.1 | -178.5 | 171.7 | 0 | 111.7 | E86 V118 V119 E128 | E86-K126 IonicContact OE2-NZ 2.77Å; V118-K126 WeakPolarHBondContact CA-O 3.37Å; V119-K126 WeakPolarHBondContact CG2-O 3.45Å; V119-K126 PolarHBondContact N-O 2.63Å; V119-K126 PolarHBondContact O-N 3.05Å; K126-E128 PolarHBondContact O-N 2.9Å |
| 127 | V | 88.8 | Confident | 87.6 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 121 | 166.9 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | L31 W37 L92 R116 K117 V118 V129 | L31-V127 HydrophobicContact CD2-CG2 3.96Å; W37-V127 HydrophobicContact CB-CG1 4.11Å; W37-V127 HydrophobicContact CB-CG2 3.72Å; W37-V127 HydrophobicContact CD2-CG2 3.98Å; W37-V127 HydrophobicContact CE3-CG2 4.37Å; W37-V127 HydrophobicContact CG-CG2 3.7Å; L92-V127 HydrophobicContact CD1-CB 3.9Å; L92-V127 HydrophobicContact CD1-CG2 4Å; L92-V127 HydrophobicContact CD2-CB 4.26Å; L92-V127 HydrophobicContact CD2-CG1 3.96Å; R116-V127 HydrophobicContact CB-CG1 3.48Å; R116-V127 VanDerWaalsContact CB-CG1 3.48Å; K117-V127 CarbonylContact O-C 3.57Å; K117-V127 WeakPolarHBondContact O-CA 3.25Å; V118-V127 HydrophobicContact CG2-CG2 4.06Å; V127-V129 HydrophobicContact CG1-CG2 4.39Å; V127-V129 PolarHBondContact O-N 2.99Å; V127-V129 VanDerWaalsContact O-N 3.15Å |
| 128 | E | 89.3 | Confident | 87.6 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 92.8 | 174.8 | -177.5 | 160.1 | -114.5 | 0 | 0 | 110.6 | R116 K117 V119 K126 S151 R152 | R116-E128 WeakPolarHBondContact CD-O 3.28Å; K117-E128 PolarHBondContact O-N 2.67Å; V119-E128 HydrophobicContact CG1-CB 3.82Å; V119-E128 HydrophobicContact CG2-CB 3.86Å; K126-E128 PolarHBondContact O-N 2.9Å; E128-S151 WeakPolarHBondContact OE2-CA 3.35Å; E128-S151 WeakPolarHBondContact OE2-CB 3.43Å; E128-S151 PolarHBondContact OE2-OG 3.5Å; E128-R152 VanDerWaalsContact OE1-CB 3.28Å; E128-R152 WeakPolarHBondContact OE1-CB 3.38Å; E128-R152 VanDerWaalsContact OE1-CG 3.23Å; E128-R152 WeakPolarHBondContact OE1-CG 3.38Å; E128-R152 IonicContact OE1-CZ 3.76Å; E128-R152 PolarHBondContact OE1-N 2.84Å; E128-R152 IonicContact OE1-NH1 3.98Å; E128-R152 PolarHBondContact OE1-NH1 2.92Å |
| 129 | V | 86.4 | Confident | 87.5 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -73.3 | -30.2 | -179.2 | 179.2 | 0 | 0 | 0 | 0 | 112.8 | V39 L80 F90 L92 R116 V127 | V39-V129 HydrophobicContact CG2-CG1 4.2Å; V39-V129 HydrophobicContact CG2-CG2 4.46Å; L80-V129 HydrophobicContact CD1-CG1 4.06Å; F90-V129 HydrophobicContact CE2-CG1 4.49Å; F90-V129 HydrophobicContact CE2-CG2 3.95Å; F90-V129 HydrophobicContact CZ-CG1 4.09Å; F90-V129 HydrophobicContact CZ-CG2 3.88Å; L92-V129 HydrophobicContact CD2-CG2 4.18Å; R116-V129 WeakPolarHBondContact CD-O 3.41Å; R116-V129 PolarHBondContact NE-O 2.9Å; V127-V129 HydrophobicContact CG1-CG2 4.39Å; V127-V129 PolarHBondContact O-N 2.99Å; V127-V129 VanDerWaalsContact O-N 3.15Å |
| 130 | Y | 86.4 | Confident | 87.3 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 26% | 0.255 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -128.1 | 106.9 | 178.2 | -61 | -87.7 | 0 | 0 | 0 | 109.8 | L80 K81 R83 L84 R152 | L80-Y130 HydrophobicContact CB-CE1 3.98Å; L80-Y130 HydrophobicContact CD1-CE1 4.46Å; K81-Y130 WeakPolarHBondContact O-CE1 3.35Å; K81-Y130 PolarHBondContact O-OH 2.84Å; R83-Y130 PolarHBondContact N-OH 3.45Å; L84-Y130 VanDerWaalsContact CB-OH 3.25Å; L84-Y130 WeakPolarHBondContact CB-OH 3.34Å; L84-Y130 VanDerWaalsContact CG-OH 3.31Å; L84-Y130 WeakPolarHBondContact CG-OH 3.21Å; L84-Y130 PolarHBondContact N-OH 3.37Å; Y130-R152 PolarHBondContact O-NH1 2.97Å; Y130-R152 PolarHBondContact O-NH2 3.04Å |
| 131 | P | 87.2 | Confident | 87.4 | Confident | 43 Ų | 43 | 51.3 Ų | 51.3 | 28% | 0.279 | 29% | 0.286 | S | S | . | . | trans | -55.9 | 166.3 | 163.7 | -24.2 | 35.5 | 0 | 0 | 0 | 112 | Q149 F150 | P131-Q149 HydrophobicContact CB-CB 4.09Å; P131-F150 WeakPolarHBondContact CB-O 3.47Å | ||
| 132 | V | 89.5 | Confident | 87.5 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 115.7 | 174.4 | -171 | 0 | 0 | 0 | 0 | 108.8 | I134 Q149 F150 R152 V196 | V132-I134 HydrophobicContact CG1-CD1 4.19Å; V132-I134 HydrophobicContact CG1-CG1 3.85Å; V132-Q149 WeakPolarHBondContact O-CA 3.38Å; V132-F150 PolarHBondContact N-O 3.31Å; V132-F150 PolarHBondContact O-N 2.83Å; V132-R152 HydrophobicContact CG2-CG 3.78Å; V132-V196 HydrophobicContact CB-CG1 4.05Å; V132-V196 HydrophobicContact CG1-CG1 4.21Å; V132-V196 HydrophobicContact CG2-CG1 3.84Å |
| 133 | E | 90.9 | Very high | 88.1 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 121.6 | 171.9 | -172.2 | 179.9 | -150.2 | 0 | 0 | 110.3 | S147 A148 Q149 S203 G204 | E133-S147 WeakPolarHBondContact OE1-CB 3.14Å; E133-S147 PolarHBondContact OE1-OG 2.71Å; E133-A148 WeakPolarHBondContact CA-O 3.44Å; E133-Q149 HydrophobicContact CB-CG 4.16Å; E133-Q149 HydrophobicContact CG-CG 4.28Å; E133-S203 PolarHBondContact N-OG 3.21Å; E133-S203 CarbonylContact O-C 3.6Å; E133-S203 VanDerWaalsContact O-CA 3.29Å; E133-S203 WeakPolarHBondContact O-CA 3.08Å; E133-G204 PolarHBondContact O-N 2.81Å |
| 134 | I | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 133.3 | -176 | -57 | -178.8 | 0 | 0 | 0 | 108.9 | V132 L136 S147 A148 F150 I159 V196 L201 V207 | V132-I134 HydrophobicContact CG1-CD1 4.19Å; V132-I134 HydrophobicContact CG1-CG1 3.85Å; I134-L136 HydrophobicContact CB-CD2 4.47Å; I134-L136 HydrophobicContact CG2-CD2 3.9Å; I134-S147 WeakPolarHBondContact O-CA 3.45Å; I134-A148 PolarHBondContact N-O 2.86Å; I134-A148 PolarHBondContact O-N 2.69Å; I134-F150 HydrophobicContact CB-CD2 4.17Å; I134-F150 HydrophobicContact CB-CE2 4.23Å; I134-F150 HydrophobicContact CD1-CD2 3.84Å; I134-F150 HydrophobicContact CD1-CE2 4.47Å; I134-F150 HydrophobicContact CG1-CD2 4.11Å; I134-I159 HydrophobicContact CD1-CD1 3.8Å; I134-V196 HydrophobicContact CD1-CG1 4.39Å; I134-L201 HydrophobicContact CD1-CB 4.18Å; I134-L201 HydrophobicContact CD1-CD1 4.05Å; I134-V207 HydrophobicContact CG2-CB 4.09Å; I134-V207 HydrophobicContact CG2-CG2 3.61Å |
| 135 | F | 93.3 | Very high | 89.1 | Confident | 72 Ų | 72 | 54.7 Ų | 54.7 | 32% | 0.316 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 127.4 | 172.6 | -66 | -54.8 | 0 | 0 | 0 | 110.3 | V145 G204 M205 T206 V207 | F135-V145 HydrophobicContact CB-CG1 3.68Å; F135-V145 HydrophobicContact CD1-CG1 3.86Å; F135-V145 HydrophobicContact CG-CG1 4.02Å; F135-G204 WeakPolarHBondContact CD2-O 3.3Å; F135-M205 PolarHBondContact N-O 2.94Å; F135-T206 HydrophobicContact CB-CG2 4.29Å; F135-T206 CarbonylContact O-C 3.48Å; F135-T206 VanDerWaalsContact O-CA 3.3Å; F135-T206 WeakPolarHBondContact O-CA 3.22Å; F135-V207 PolarHBondContact O-N 3.48Å |
| 136 | L | 94.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131.1 | -175.5 | -54 | -178.9 | 0 | 0 | 0 | 109.5 | I134 V145 T146 A148 F150 I159 M163 F167 V207 | I134-L136 HydrophobicContact CB-CD2 4.47Å; I134-L136 HydrophobicContact CG2-CD2 3.9Å; L136-V145 WeakPolarHBondContact O-CA 3.31Å; L136-T146 WeakPolarHBondContact CA-O 3.29Å; L136-T146 WeakPolarHBondContact CB-O 3.31Å; L136-T146 PolarHBondContact N-O 2.93Å; L136-T146 PolarHBondContact O-N 3.29Å; L136-A148 HydrophobicContact CD1-CB 3.65Å; L136-A148 HydrophobicContact CG-CB 4.39Å; L136-F150 HydrophobicContact CD1-CE2 4.37Å; L136-F150 HydrophobicContact CD1-CZ 4.25Å; L136-F150 HydrophobicContact CD2-CE2 4.36Å; L136-I159 HydrophobicContact CD2-CG2 3.74Å; L136-M163 HydrophobicContact CB-CE 3.95Å; L136-M163 HydrophobicContact CB-CG 4.15Å; L136-M163 HydrophobicContact CD1-CG 3.82Å; L136-M163 HydrophobicContact CD2-CE 4.2Å; L136-M163 HydrophobicContact CD2-CG 3.88Å; L136-M163 HydrophobicContact CD2-SD 3.93Å; L136-M163 HydrophobicContact CG-CG 4.16Å; L136-F167 HydrophobicContact CB-CE2 4.19Å; L136-F167 HydrophobicContact CB-CZ 4.36Å; L136-V207 HydrophobicContact CD2-CB 4.21Å |
| 137 | C | 93.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 167.3 | 170.3 | 69.1 | 0 | 0 | 0 | 0 | 113.1 | N144 V145 M163 V207 M209 | C137-N144 WeakPolarHBondContact CB-O 3.21Å; C137-V145 HydrophobicContact CB-CG2 4.2Å; C137-M163 VanDerWaalsContact O-CE 3.29Å; C137-M163 WeakPolarHBondContact O-CE 3.44Å; C137-V207 PolarHBondContact N-O 2.94Å; C137-V207 VanDerWaalsContact N-O 3.17Å; C137-M209 PolarHBondContact O-N 3Å |
| 138 | L | 91.3 | Very high | 89.7 | Confident | 35 Ų | 35 | 53 Ų | 53 | 18% | 0.183 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 142.3 | 172 | -64.4 | -177.4 | 0 | 0 | 0 | 110.7 | S140 N141 M142 F167 M209 | L138-S140 PolarHBondContact O-N 2.81Å; L138-N141 CarbonylContact O-C 3.52Å; L138-N141 PolarHBondContact O-N 3.23Å; L138-N141 VanDerWaalsContact O-O 3.08Å; L138-M142 PolarHBondContact O-N 2.95Å; L138-F167 HydrophobicContact CD1-CB 4.07Å; L138-F167 HydrophobicContact CD1-CD1 4.3Å; L138-F167 HydrophobicContact CD1-CG 4.15Å; L138-F167 HydrophobicContact CD2-CB 3.93Å; L138-F167 HydrophobicContact CD2-CD2 3.67Å; L138-F167 HydrophobicContact CD2-CE2 4.36Å; L138-F167 HydrophobicContact CD2-CG 3.78Å; L138-F167 HydrophobicContact CG-CB 4.13Å; L138-F167 HydrophobicContact CG-CD1 4.02Å; L138-F167 HydrophobicContact CG-CD2 3.99Å; L138-F167 HydrophobicContact CG-CE1 4.49Å; L138-F167 HydrophobicContact CG-CE2 4.46Å; L138-F167 HydrophobicContact CG-CG 3.77Å; L138-M209 CarbonylContact C-O 3.54Å; L138-M209 WeakPolarHBondContact CA-O 3.47Å; L138-M209 HydrophobicContact CD2-CB 4.35Å; L138-M209 HydrophobicContact CD2-CE 3.52Å |
| 139 | H | 88.6 | Confident | 89.8 | Confident | 66 Ų | 66 | 56.8 Ų | 56.8 | 31% | 0.306 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -29.3 | 170.9 | -177.4 | 88 | 0 | 0 | 0 | 112.9 | N141 I208 M209 E210 | H139-N141 VanDerWaalsContact C-N 3.3Å; H139-I208 HydrophobicContact CB-CG2 3.92Å; H139-M209 PolarHBondContact N-O 3.13Å; H139-E210 HydrophobicContact CB-CB 3.65Å |
| 140 | S | 85.5 | Confident | 90.1 | Very high | 106 Ų | 106 | 56.6 Ų | 56.6 | 74% | 0.741 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -17.4 | 175.4 | 55.1 | 0 | 0 | 0 | 0 | 114.1 | L138 | L138-S140 PolarHBondContact O-N 2.81Š|
| 141 | N | 86.3 | Confident | 90.3 | Very high | 74 Ų | 74 | 54.5 Ų | 54.5 | 40% | 0.396 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 85.8 | 174.9 | -175.7 | -8.8 | 0 | 0 | 0 | 109.7 | L138 H139 E143 N144 | L138-N141 CarbonylContact O-C 3.52Å; L138-N141 PolarHBondContact O-N 3.23Å; L138-N141 VanDerWaalsContact O-O 3.08Å; H139-N141 VanDerWaalsContact C-N 3.3Å; N141-E143 PolarHBondContact O-N 3Å; N141-E143 PolarHBondContact OD1-N 3.45Å; N141-N144 HydrophobicContact CB-CB 4.39Å; N141-N144 PolarHBondContact O-N 3.22Å; N141-N144 PolarHBondContact OD1-N 2.83Å; N141-N144 VanDerWaalsContact OD1-N 3.14Å |
| 142 | M | 85.8 | Confident | 90.4 | Very high | 90 Ų | 90 | 56.2 Ų | 56.2 | 44% | 0.443 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | -9 | -179 | -63.8 | -176.6 | 63.7 | 0 | 0 | 113.6 | L138 I208 | L138-M142 PolarHBondContact O-N 2.95Å; M142-I208 HydrophobicContact CE-CD1 3.65Å; M142-I208 HydrophobicContact CE-CG1 4.4Å |
| 143 | E | 85.9 | Confident | 90.4 | Very high | 186 Ų | 186 | 59.1 Ų | 59.1 | 87% | 0.869 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -28.2 | 175.1 | -60.1 | 179.8 | 175.6 | 0 | 0 | 111.7 | N141 V145 | N141-E143 PolarHBondContact O-N 3Å; N141-E143 PolarHBondContact OD1-N 3.45Å; E143-V145 VanDerWaalsContact C-N 3.32Å; E143-V145 PolarHBondContact O-N 2.84Å |
| 144 | N | 89.6 | Confident | 90.4 | Very high | 78 Ų | 78 | 59 Ų | 59 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 77.6 | 176.2 | -173.5 | 49.4 | 0 | 0 | 0 | 111.3 | C137 N141 | C137-N144 WeakPolarHBondContact CB-O 3.21Å; N141-N144 HydrophobicContact CB-CB 4.39Å; N141-N144 PolarHBondContact O-N 3.22Å; N141-N144 PolarHBondContact OD1-N 2.83Å; N141-N144 VanDerWaalsContact OD1-N 3.14Å |
| 145 | V | 90.1 | Very high | 90.5 | Very high | 68 Ų | 68 | 60.3 Ų | 60.3 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 135.3 | 177.2 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | F135 L136 C137 E143 | F135-V145 HydrophobicContact CB-CG1 3.68Å; F135-V145 HydrophobicContact CD1-CG1 3.86Å; F135-V145 HydrophobicContact CG-CG1 4.02Å; L136-V145 WeakPolarHBondContact O-CA 3.31Å; C137-V145 HydrophobicContact CB-CG2 4.2Å; E143-V145 VanDerWaalsContact C-N 3.32Å; E143-V145 PolarHBondContact O-N 2.84Å |
| 146 | T | 91.7 | Very high | 90.5 | Very high | 53 Ų | 53 | 56.9 Ų | 56.9 | 33% | 0.325 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.8 | 172.7 | -57.6 | 0 | 0 | 0 | 0 | 108.5 | L136 T166 | L136-T146 WeakPolarHBondContact CA-O 3.29Å; L136-T146 WeakPolarHBondContact CB-O 3.31Å; L136-T146 PolarHBondContact N-O 2.93Å; L136-T146 PolarHBondContact O-N 3.29Å; T146-T166 HydrophobicContact CG2-CG2 4.15Å |
| 147 | S | 91.9 | Very high | 90.4 | Very high | 56 Ų | 56 | 62.9 Ų | 62.9 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 150.7 | 173.1 | 70.5 | 0 | 0 | 0 | 0 | 112.1 | E133 I134 | E133-S147 WeakPolarHBondContact OE1-CB 3.14Å; E133-S147 PolarHBondContact OE1-OG 2.71Å; I134-S147 WeakPolarHBondContact O-CA 3.45Å |
| 148 | A | 92.6 | Very high | 90.4 | Very high | 27 Ų | 27 | 65.4 Ų | 65.4 | 22% | 0.223 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 150 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | E133 I134 L136 F150 | E133-A148 WeakPolarHBondContact CA-O 3.44Å; I134-A148 PolarHBondContact N-O 2.86Å; I134-A148 PolarHBondContact O-N 2.69Å; L136-A148 HydrophobicContact CD1-CB 3.65Å; L136-A148 HydrophobicContact CG-CB 4.39Å; A148-F150 HydrophobicContact CB-CE2 3.68Å; A148-F150 HydrophobicContact CB-CZ 3.88Å |
| 149 | Q | 91.6 | Very high | 90.5 | Very high | 97 Ų | 97 | 63.7 Ų | 63.7 | 45% | 0.453 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 132.9 | -178.7 | -69.2 | -177.4 | -2.7 | 0 | 0 | 110.8 | H79 P131 V132 E133 | H79-Q149 PolarHBondContact NE2-NE2 2.99Å; P131-Q149 HydrophobicContact CB-CB 4.09Å; V132-Q149 WeakPolarHBondContact O-CA 3.38Å; E133-Q149 HydrophobicContact CB-CG 4.16Å; E133-Q149 HydrophobicContact CG-CG 4.28Å |
| 150 | F | 93.2 | Very high | 90.8 | Very high | 10 Ų | 10 | 62.3 Ų | 62.3 | 4% | 0.044 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 150.6 | 180 | -58.8 | -83.7 | 0 | 0 | 0 | 110.6 | P131 V132 I134 L136 A148 V158 I159 A162 V196 | P131-F150 WeakPolarHBondContact CB-O 3.47Å; V132-F150 PolarHBondContact N-O 3.31Å; V132-F150 PolarHBondContact O-N 2.83Å; I134-F150 HydrophobicContact CB-CD2 4.17Å; I134-F150 HydrophobicContact CB-CE2 4.23Å; I134-F150 HydrophobicContact CD1-CD2 3.84Å; I134-F150 HydrophobicContact CD1-CE2 4.47Å; I134-F150 HydrophobicContact CG1-CD2 4.11Å; L136-F150 HydrophobicContact CD1-CE2 4.37Å; L136-F150 HydrophobicContact CD1-CZ 4.25Å; L136-F150 HydrophobicContact CD2-CE2 4.36Å; A148-F150 HydrophobicContact CB-CE2 3.68Å; A148-F150 HydrophobicContact CB-CZ 3.88Å; F150-V158 HydrophobicContact CD1-CG1 4.2Å; F150-V158 HydrophobicContact CE1-CG1 4.31Å; F150-I159 HydrophobicContact CD1-CG1 4.05Å; F150-I159 HydrophobicContact CD2-CG1 4.25Å; F150-I159 HydrophobicContact CE1-CB 4.25Å; F150-I159 HydrophobicContact CE1-CG1 4.02Å; F150-I159 HydrophobicContact CE2-CG1 4.21Å; F150-I159 HydrophobicContact CE2-CG2 4.11Å; F150-I159 HydrophobicContact CG-CG1 4.17Å; F150-I159 HydrophobicContact CZ-CB 4.13Å; F150-I159 HydrophobicContact CZ-CG1 4.1Å; F150-I159 HydrophobicContact CZ-CG2 3.92Å; F150-A162 HydrophobicContact CE1-CB 3.92Å; F150-A162 HydrophobicContact CZ-CB 3.93Å; F150-V196 HydrophobicContact CB-CG2 4.17Å |
| 151 | S | 91.3 | Very high | 91.1 | Very high | 21 Ų | 21 | 59.5 Ų | 59.5 | 15% | 0.147 | 31% | 0.313 | C | S | . | . | trans | -71.9 | 150.4 | 171.5 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | V119 E128 T153 D154 V196 | V119-S151 WeakPolarHBondContact CG1-OG 3.23Å; E128-S151 WeakPolarHBondContact OE2-CA 3.35Å; E128-S151 WeakPolarHBondContact OE2-CB 3.43Å; E128-S151 PolarHBondContact OE2-OG 3.5Å; S151-T153 PolarHBondContact O-N 3.37Å; S151-T153 VanDerWaalsContact O-N 3.16Å; S151-T153 PolarHBondContact OG-N 3.23Å; S151-T153 PolarHBondContact OG-OG1 2.65Å; S151-T153 VanDerWaalsContact OG-OG1 3.08Å; S151-D154 WeakPolarHBondContact CB-OD2 3.16Å; S151-D154 PolarHBondContact N-OD2 2.78Å; S151-D154 WeakPolarHBondContact O-CB 3.32Å; S151-D154 PolarHBondContact O-N 2.92Å; S151-D154 VanDerWaalsContact O-N 3.09Å; S151-V196 WeakPolarHBondContact O-CB 3.44Å; S151-V196 WeakPolarHBondContact O-CG2 3.46Å | ||
| 152 | R | 88.8 | Confident | 91.4 | Very high | 79 Ų | 79 | 57.1 Ų | 57.1 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.2 | 169.2 | -78.1 | 172.8 | -169 | 75.3 | 5.9 | 113.1 | L121 E128 Y130 V132 L197 | L121-R152 HydrophobicContact CD2-CB 4.27Å; E128-R152 VanDerWaalsContact OE1-CB 3.28Å; E128-R152 WeakPolarHBondContact OE1-CB 3.38Å; E128-R152 VanDerWaalsContact OE1-CG 3.23Å; E128-R152 WeakPolarHBondContact OE1-CG 3.38Å; E128-R152 IonicContact OE1-CZ 3.76Å; E128-R152 PolarHBondContact OE1-N 2.84Å; E128-R152 IonicContact OE1-NH1 3.98Å; E128-R152 PolarHBondContact OE1-NH1 2.92Å; Y130-R152 PolarHBondContact O-NH1 2.97Å; Y130-R152 PolarHBondContact O-NH2 3.04Å; V132-R152 HydrophobicContact CG2-CG 3.78Å; R152-L197 HydrophobicContact CB-CB 4.2Å; R152-L197 WeakPolarHBondContact O-CB 3.33Å; R152-L197 PolarHBondContact O-N 3.38Å; R152-L197 VanDerWaalsContact O-N 3.1Å |
| 153 | T | 88.9 | Confident | 91.8 | Very high | 66 Ų | 66 | 52.8 Ų | 52.8 | 41% | 0.405 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -3.5 | 178.8 | 50.7 | 0 | 0 | 0 | 0 | 114.4 | V119 D120 L121 S151 | V119-T153 HydrophobicContact CB-CG2 4Å; V119-T153 HydrophobicContact CG1-CG2 4.45Å; D120-T153 VanDerWaalsContact O-CG2 3.3Å; D120-T153 WeakPolarHBondContact O-CG2 3.34Å; L121-T153 HydrophobicContact CD2-CG2 4.43Å; S151-T153 PolarHBondContact O-N 3.37Å; S151-T153 VanDerWaalsContact O-N 3.16Å; S151-T153 PolarHBondContact OG-N 3.23Å; S151-T153 PolarHBondContact OG-OG1 2.65Å; S151-T153 VanDerWaalsContact OG-OG1 3.08Å |
| 154 | D | 92.6 | Very high | 92.1 | Very high | 52 Ų | 52 | 45.5 Ų | 45.5 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -64.9 | 147.6 | 169.6 | -75.9 | -31.2 | 0 | 0 | 0 | 109.7 | S151 V158 S195 V196 | S151-D154 WeakPolarHBondContact CB-OD2 3.16Å; S151-D154 PolarHBondContact N-OD2 2.78Å; S151-D154 WeakPolarHBondContact O-CB 3.32Å; S151-D154 PolarHBondContact O-N 2.92Å; S151-D154 VanDerWaalsContact O-N 3.09Å; D154-V158 HydrophobicContact CB-CB 4.23Å; D154-V158 HydrophobicContact CB-CG1 4.48Å; D154-V158 HydrophobicContact CB-CG2 4.2Å; D154-S195 CarbonylContact O-C 2.98Å; D154-S195 VanDerWaalsContact O-CA 3.26Å; D154-S195 WeakPolarHBondContact O-CA 3.48Å; D154-V196 HydrophobicContact CB-CG2 4.24Å; D154-V196 WeakPolarHBondContact O-CG2 3.32Å; D154-V196 PolarHBondContact O-N 3.26Å |
| 155 | S | 93.4 | Very high | 92.2 | Very high | 28 Ų | 28 | 48.5 Ų | 48.5 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -85.1 | 157.1 | 173.4 | 66.4 | 0 | 0 | 0 | 0 | 112 | Y157 V158 V194 | S155-Y157 PolarHBondContact O-N 2.91Å; S155-Y157 VanDerWaalsContact O-N 3.11Å; S155-V158 WeakPolarHBondContact O-CA 3.27Å; S155-V158 VanDerWaalsContact O-CB 3.27Å; S155-V158 WeakPolarHBondContact O-CB 3.26Å; S155-V158 PolarHBondContact O-N 2.83Å; S155-V194 CarbonylContact C-O 3.6Å; S155-V194 VanDerWaalsContact CA-O 3.27Å; S155-V194 WeakPolarHBondContact CA-O 3.28Å |
| 156 | I | 93.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.3 | -27.3 | 175.2 | -63.4 | -53.6 | 0 | 0 | 0 | 112.3 | V158 I159 Q160 L177 L189 V192 V194 A199 L201 | I156-V158 VanDerWaalsContact C-N 3.28Å; I156-V158 PolarHBondContact O-N 3.35Å; I156-I159 HydrophobicContact CD1-CD1 3.67Å; I156-I159 WeakPolarHBondContact O-CB 3.4Å; I156-I159 PolarHBondContact O-N 2.8Å; I156-Q160 PolarHBondContact O-N 2.87Å; I156-L177 HydrophobicContact CG2-CD1 3.79Å; I156-L189 HydrophobicContact CD1-CD1 4.38Å; I156-L189 HydrophobicContact CG2-CB 4.2Å; I156-L189 HydrophobicContact CG2-CD1 4.28Å; I156-V192 CarbonylContact C-O 3.54Å; I156-V192 HydrophobicContact CG2-CB 4.48Å; I156-V192 HydrophobicContact CG2-CG1 4.39Å; I156-V192 PolarHBondContact N-O 3.43Å; I156-V194 PolarHBondContact N-O 2.86Å; I156-A199 HydrophobicContact CD1-CB 3.72Å; I156-A199 HydrophobicContact CG1-CB 3.98Å; I156-L201 HydrophobicContact CD1-CD1 3.41Å; I156-L201 VanDerWaalsContact CD1-CD1 3.41Å |
| 157 | Y | 92.1 | Very high | 92.3 | Very high | 126 Ų | 126 | 47.7 Ų | 47.7 | 49% | 0.494 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.7 | -31.5 | 170.9 | -179.7 | -94.6 | 0 | 0 | 0 | 113.5 | S155 Q160 T161 V192 | S155-Y157 PolarHBondContact O-N 2.91Å; S155-Y157 VanDerWaalsContact O-N 3.11Å; Y157-Q160 PolarHBondContact O-N 3.38Å; Y157-T161 WeakPolarHBondContact O-CB 3.34Å; Y157-T161 PolarHBondContact O-N 3.25Å; Y157-T161 PolarHBondContact O-OG1 2.62Å; Y157-V192 WeakPolarHBondContact CB-O 3.34Å; Y157-V192 HydrophobicContact CD2-CG2 4.42Å; Y157-V192 PolarHBondContact N-O 2.85Å |
| 158 | V | 93.9 | Very high | 92.3 | Very high | 54 Ų | 54 | 50 Ų | 50 | 33% | 0.327 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 173.2 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | F150 D154 S155 I156 T161 A162 | F150-V158 HydrophobicContact CD1-CG1 4.2Å; F150-V158 HydrophobicContact CE1-CG1 4.31Å; D154-V158 HydrophobicContact CB-CB 4.23Å; D154-V158 HydrophobicContact CB-CG1 4.48Å; D154-V158 HydrophobicContact CB-CG2 4.2Å; S155-V158 WeakPolarHBondContact O-CA 3.27Å; S155-V158 VanDerWaalsContact O-CB 3.27Å; S155-V158 WeakPolarHBondContact O-CB 3.26Å; S155-V158 PolarHBondContact O-N 2.83Å; I156-V158 VanDerWaalsContact C-N 3.28Å; I156-V158 PolarHBondContact O-N 3.35Å; V158-T161 PolarHBondContact O-N 2.88Å; V158-A162 WeakPolarHBondContact O-CB 3.46Å; V158-A162 PolarHBondContact O-N 2.72Å |
| 159 | I | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 173.4 | -48 | -180 | 0 | 0 | 0 | 110.2 | I134 L136 F150 I156 T161 A162 M163 V196 L201 V207 | I134-I159 HydrophobicContact CD1-CD1 3.8Å; L136-I159 HydrophobicContact CD2-CG2 3.74Å; F150-I159 HydrophobicContact CD1-CG1 4.05Å; F150-I159 HydrophobicContact CD2-CG1 4.25Å; F150-I159 HydrophobicContact CE1-CB 4.25Å; F150-I159 HydrophobicContact CE1-CG1 4.02Å; F150-I159 HydrophobicContact CE2-CG1 4.21Å; F150-I159 HydrophobicContact CE2-CG2 4.11Å; F150-I159 HydrophobicContact CG-CG1 4.17Å; F150-I159 HydrophobicContact CZ-CB 4.13Å; F150-I159 HydrophobicContact CZ-CG1 4.1Å; F150-I159 HydrophobicContact CZ-CG2 3.92Å; I156-I159 HydrophobicContact CD1-CD1 3.67Å; I156-I159 WeakPolarHBondContact O-CB 3.4Å; I156-I159 PolarHBondContact O-N 2.8Å; I159-T161 VanDerWaalsContact C-N 3.3Å; I159-T161 PolarHBondContact O-N 3.2Å; I159-A162 PolarHBondContact O-N 2.85Å; I159-M163 HydrophobicContact CG2-CG 4.3Å; I159-M163 HydrophobicContact CG2-SD 4.08Å; I159-M163 VanDerWaalsContact O-CG 3.32Å; I159-M163 WeakPolarHBondContact O-CG 3.41Å; I159-M163 PolarHBondContact O-N 2.83Å; I159-V196 HydrophobicContact CD1-CG2 4.19Å; I159-L201 HydrophobicContact CD1-CD1 3.63Å; I159-V207 HydrophobicContact CG2-CG1 4.41Å |
| 160 | Q | 93 | Very high | 91.8 | Very high | 36 Ų | 36 | 49.3 Ų | 49.3 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.7 | -44 | 178.3 | -172.5 | 177.4 | -13.8 | 0 | 0 | 111.6 | I156 Y157 M163 C164 L177 | I156-Q160 PolarHBondContact O-N 2.87Å; Y157-Q160 PolarHBondContact O-N 3.38Å; Q160-M163 PolarHBondContact O-N 3.2Å; Q160-C164 WeakPolarHBondContact O-CB 3.13Å; Q160-C164 PolarHBondContact O-N 2.85Å; Q160-C164 PolarHBondContact O-SG 3.24Å; Q160-C164 VanDerWaalsContact O-SG 3.33Å; Q160-L177 HydrophobicContact CB-CD1 3.87Å; Q160-L177 HydrophobicContact CB-CG 4.44Å |
| 161 | T | 92.2 | Very high | 91.3 | Very high | 47 Ų | 47 | 55.3 Ų | 55.3 | 29% | 0.288 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 178.4 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | Y157 V158 I159 C164 Q165 | Y157-T161 WeakPolarHBondContact O-CB 3.34Å; Y157-T161 PolarHBondContact O-N 3.25Å; Y157-T161 PolarHBondContact O-OG1 2.62Å; V158-T161 PolarHBondContact O-N 2.88Å; I159-T161 VanDerWaalsContact C-N 3.3Å; I159-T161 PolarHBondContact O-N 3.2Å; T161-C164 PolarHBondContact O-N 2.8Å; T161-Q165 WeakPolarHBondContact O-CG 3.25Å; T161-Q165 PolarHBondContact O-N 3.48Å; T161-Q165 VanDerWaalsContact O-N 3.08Å |
| 162 | A | 93.3 | Very high | 90.6 | Very high | 24 Ų | 24 | 58.4 Ų | 58.4 | 20% | 0.198 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F150 V158 I159 Q165 T166 | F150-A162 HydrophobicContact CE1-CB 3.92Å; F150-A162 HydrophobicContact CZ-CB 3.93Å; V158-A162 WeakPolarHBondContact O-CB 3.46Å; V158-A162 PolarHBondContact O-N 2.72Å; I159-A162 PolarHBondContact O-N 2.85Å; A162-Q165 PolarHBondContact O-N 3.03Å; A162-T166 WeakPolarHBondContact O-CB 3.35Å; A162-T166 PolarHBondContact O-N 3.38Å; A162-T166 PolarHBondContact O-OG1 3.38Å; A162-T166 VanDerWaalsContact O-OG1 3.05Å |
| 163 | M | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 175.7 | -69.9 | -178.6 | 93.6 | 0 | 0 | 112.1 | L136 C137 I159 Q160 Q165 T166 F167 L177 V207 M209 | L136-M163 HydrophobicContact CB-CE 3.95Å; L136-M163 HydrophobicContact CB-CG 4.15Å; L136-M163 HydrophobicContact CD1-CG 3.82Å; L136-M163 HydrophobicContact CD2-CE 4.2Å; L136-M163 HydrophobicContact CD2-CG 3.88Å; L136-M163 HydrophobicContact CD2-SD 3.93Å; L136-M163 HydrophobicContact CG-CG 4.16Å; C137-M163 VanDerWaalsContact O-CE 3.29Å; C137-M163 WeakPolarHBondContact O-CE 3.44Å; I159-M163 HydrophobicContact CG2-CG 4.3Å; I159-M163 HydrophobicContact CG2-SD 4.08Å; I159-M163 VanDerWaalsContact O-CG 3.32Å; I159-M163 WeakPolarHBondContact O-CG 3.41Å; I159-M163 PolarHBondContact O-N 2.83Å; Q160-M163 PolarHBondContact O-N 3.2Å; M163-Q165 VanDerWaalsContact C-N 3.3Å; M163-Q165 PolarHBondContact O-N 2.91Å; M163-T166 PolarHBondContact O-N 3.48Å; M163-F167 HydrophobicContact CB-CD2 4.23Å; M163-F167 HydrophobicContact CB-CE2 4.42Å; M163-F167 HydrophobicContact CE-CE2 4.13Å; M163-F167 HydrophobicContact CG-CE2 4.45Å; M163-F167 WeakPolarHBondContact O-CB 3.44Å; M163-F167 VanDerWaalsContact O-CD2 3.24Å; M163-F167 WeakPolarHBondContact O-CD2 3.03Å; M163-F167 PolarHBondContact O-N 3.07Å; M163-L177 HydrophobicContact SD-CD2 3.61Å; M163-V207 HydrophobicContact CE-CG1 4.27Å; M163-V207 VanDerWaalsContact CE-O 3.25Å; M163-V207 WeakPolarHBondContact CE-O 3.37Å; M163-V207 HydrophobicContact SD-CG1 3.83Å; M163-M209 HydrophobicContact CB-CE 3.68Å; M163-M209 HydrophobicContact CB-SD 3.79Å; M163-M209 HydrophobicContact CE-CB 3.47Å; M163-M209 VanDerWaalsContact CE-CB 3.47Å; M163-M209 HydrophobicContact SD-CB 3.92Å |
| 164 | C | 92.1 | Very high | 90.5 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 22% | 0.216 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 176.3 | -74.7 | 0 | 0 | 0 | 0 | 112.4 | Q160 T161 S168 V169 | Q160-C164 WeakPolarHBondContact O-CB 3.13Å; Q160-C164 PolarHBondContact O-N 2.85Å; Q160-C164 PolarHBondContact O-SG 3.24Å; Q160-C164 VanDerWaalsContact O-SG 3.33Å; T161-C164 PolarHBondContact O-N 2.8Å; C164-S168 WeakPolarHBondContact O-CA 3.38Å; C164-S168 PolarHBondContact O-N 2.78Å; C164-S168 VanDerWaalsContact O-N 3.15Å; C164-V169 HydrophobicContact CB-CB 4.19Å; C164-V169 PolarHBondContact O-N 2.95Å |
| 165 | Q | 91.9 | Very high | 90.4 | Very high | 142 Ų | 142 | 53.5 Ų | 53.5 | 66% | 0.664 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -69.5 | -54.3 | 175 | -69 | 175.4 | 21.4 | 0 | 0 | 111.7 | T161 A162 M163 F167 S168 | T161-Q165 WeakPolarHBondContact O-CG 3.25Å; T161-Q165 PolarHBondContact O-N 3.48Å; T161-Q165 VanDerWaalsContact O-N 3.08Å; A162-Q165 PolarHBondContact O-N 3.03Å; M163-Q165 VanDerWaalsContact C-N 3.3Å; M163-Q165 PolarHBondContact O-N 2.91Å; Q165-F167 VanDerWaalsContact C-N 3.31Å; Q165-F167 PolarHBondContact O-N 3.42Å; Q165-S168 PolarHBondContact O-N 2.86Å; Q165-S168 VanDerWaalsContact O-N 3.09Å |
| 166 | T | 92.2 | Very high | 90.3 | Very high | 73 Ų | 73 | 53.1 Ų | 53.1 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.6 | -42.1 | -178.6 | -64.8 | 0 | 0 | 0 | 0 | 112.4 | T146 A162 M163 | T146-T166 HydrophobicContact CG2-CG2 4.15Å; A162-T166 WeakPolarHBondContact O-CB 3.35Å; A162-T166 PolarHBondContact O-N 3.38Å; A162-T166 PolarHBondContact O-OG1 3.38Å; A162-T166 VanDerWaalsContact O-OG1 3.05Å; M163-T166 PolarHBondContact O-N 3.48Å |
| 167 | F | 92.1 | Very high | 90.2 | Very high | 31 Ų | 31 | 53.1 Ų | 53.1 | 14% | 0.136 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 7.5 | -179.6 | -59.6 | -59.4 | 0 | 0 | 0 | 114.2 | L136 L138 M163 Q165 V169 M209 | L136-F167 HydrophobicContact CB-CE2 4.19Å; L136-F167 HydrophobicContact CB-CZ 4.36Å; L138-F167 HydrophobicContact CD1-CB 4.07Å; L138-F167 HydrophobicContact CD1-CD1 4.3Å; L138-F167 HydrophobicContact CD1-CG 4.15Å; L138-F167 HydrophobicContact CD2-CB 3.93Å; L138-F167 HydrophobicContact CD2-CD2 3.67Å; L138-F167 HydrophobicContact CD2-CE2 4.36Å; L138-F167 HydrophobicContact CD2-CG 3.78Å; L138-F167 HydrophobicContact CG-CB 4.13Å; L138-F167 HydrophobicContact CG-CD1 4.02Å; L138-F167 HydrophobicContact CG-CD2 3.99Å; L138-F167 HydrophobicContact CG-CE1 4.49Å; L138-F167 HydrophobicContact CG-CE2 4.46Å; L138-F167 HydrophobicContact CG-CG 3.77Å; M163-F167 HydrophobicContact CB-CD2 4.23Å; M163-F167 HydrophobicContact CB-CE2 4.42Å; M163-F167 HydrophobicContact CE-CE2 4.13Å; M163-F167 HydrophobicContact CG-CE2 4.45Å; M163-F167 WeakPolarHBondContact O-CB 3.44Å; M163-F167 VanDerWaalsContact O-CD2 3.24Å; M163-F167 WeakPolarHBondContact O-CD2 3.03Å; M163-F167 PolarHBondContact O-N 3.07Å; Q165-F167 VanDerWaalsContact C-N 3.31Å; Q165-F167 PolarHBondContact O-N 3.42Å; F167-V169 VanDerWaalsContact C-N 3.29Å; F167-V169 HydrophobicContact CB-CG2 4.22Å; F167-V169 PolarHBondContact O-N 2.92Å; F167-M209 HydrophobicContact CD2-CE 4.03Å |
| 168 | S | 91 | Very high | 90.2 | Very high | 103 Ų | 103 | 49.7 Ų | 49.7 | 72% | 0.72 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 42.1 | 178.7 | -61 | 0 | 0 | 0 | 0 | 114.1 | C164 Q165 | C164-S168 WeakPolarHBondContact O-CA 3.38Å; C164-S168 PolarHBondContact O-N 2.78Å; C164-S168 VanDerWaalsContact O-N 3.15Å; Q165-S168 PolarHBondContact O-N 2.86Å; Q165-S168 VanDerWaalsContact O-N 3.09Å |
| 169 | V | 88 | Confident | 90.1 | Very high | 25 Ų | 25 | 48.1 Ų | 48.1 | 15% | 0.152 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 132.9 | 179.5 | 178 | 0 | 0 | 0 | 0 | 109.9 | C164 F167 M209 | C164-V169 HydrophobicContact CB-CB 4.19Å; C164-V169 PolarHBondContact O-N 2.95Å; F167-V169 VanDerWaalsContact C-N 3.29Å; F167-V169 HydrophobicContact CB-CG2 4.22Å; F167-V169 PolarHBondContact O-N 2.92Å; V169-M209 HydrophobicContact CG2-CE 3.6Å |
| 170 | P | 86.6 | Confident | 89.8 | Confident | 86 Ų | 86 | 51.6 Ų | 51.6 | 56% | 0.558 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 139.4 | -177.9 | -24.7 | 33.8 | 0 | 0 | 0 | 112.6 | G172 S173 | P170-G172 PolarHBondContact O-N 3.04Å; P170-S173 VanDerWaalsContact O-CB 3.25Å; P170-S173 WeakPolarHBondContact O-CB 3.32Å; P170-S173 PolarHBondContact O-N 2.86Å; P170-S173 VanDerWaalsContact O-N 3.1Å; P170-S173 PolarHBondContact O-OG 2.88Å |
| 171 | P | 81.4 | Confident | 88.9 | Confident | 136 Ų | 136 | 51.7 Ų | 51.7 | 88% | 0.883 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 137.6 | 178.2 | 26.8 | -34.5 | 0 | 0 | 0 | 110.8 | S173 | P171-S173 VanDerWaalsContact C-N 3.32Š|
| 172 | G | 78.4 | Confident | 87.8 | Confident | 85 Ų | 85 | 55.6 Ų | 55.6 | 88% | 0.876 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 1.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P170 | P170-G172 PolarHBondContact O-N 3.04Š|
| 173 | S | 86 | Confident | 86.7 | Confident | 42 Ų | 42 | 59.9 Ų | 59.9 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | trans | -69 | 133.6 | 169.4 | -53.8 | 0 | 0 | 0 | 0 | 110.8 | P170 P171 | P170-S173 VanDerWaalsContact O-CB 3.25Å; P170-S173 WeakPolarHBondContact O-CB 3.32Å; P170-S173 PolarHBondContact O-N 2.86Å; P170-S173 VanDerWaalsContact O-N 3.1Å; P170-S173 PolarHBondContact O-OG 2.88Å; P171-S173 VanDerWaalsContact C-N 3.32Å | ||
| 174 | E | 88.6 | Confident | 85.4 | Confident | 35 Ų | 35 | 63.8 Ų | 63.8 | 16% | 0.164 | 40% | 0.395 | C | S | . | . | trans | -74.9 | 126.2 | 170.3 | -72.2 | 179.9 | -113.3 | 0 | 0 | 111.1 | T211 R212 W218 S274 K301 | E174-T211 CarbonylContact O-C 3.56Å; E174-T211 VanDerWaalsContact O-CA 3.29Å; E174-T211 WeakPolarHBondContact O-CA 3.36Å; E174-T211 WeakPolarHBondContact O-CG2 3.28Å; E174-R212 HydrophobicContact CB-CB 3.98Å; E174-R212 PolarHBondContact O-N 3.34Å; E174-R212 IonicContact OE1-NE 2.72Å; E174-R212 PolarHBondContact OE1-NE 2.88Å; E174-R212 VanDerWaalsContact OE1-NE 3.08Å; E174-R212 IonicContact OE2-CZ 2.72Å; E174-R212 VanDerWaalsContact OE2-CZ 3.25Å; E174-R212 IonicContact OE2-NE 3.34Å; E174-R212 PolarHBondContact OE2-NE 2.74Å; E174-R212 IonicContact OE2-NH2 3.56Å; E174-R212 PolarHBondContact OE2-NH2 3.26Å; E174-W218 HydrophobicContact CB-CH2 4.12Å; E174-S274 PolarHBondContact OE1-OG 2.71Å; E174-K301 WeakPolarHBondContact OE1-CD 3.44Å; E174-K301 WeakPolarHBondContact OE1-CE 3.45Å; E174-K301 IonicContact OE1-NZ 2.63Å; E174-K301 PolarHBondContact OE1-NZ 2.61Å; E174-K301 IonicContact OE2-NZ 3.69Å; E174-K301 PolarHBondContact OE2-NZ 3.2Å | ||
| 175 | C | 90.7 | Very high | 84.7 | Confident | 18 Ų | 18 | 65 Ų | 65 | 12% | 0.122 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 150.9 | 173.3 | -55.3 | 0 | 0 | 0 | 0 | 110.8 | M209 E210 | C175-M209 HydrophobicContact CB-CG 3.92Å; C175-M209 HydrophobicContact CB-SD 3.91Å; C175-E210 CarbonylContact C-O 3.56Å; C175-E210 WeakPolarHBondContact CA-O 3.48Å |
| 176 | R | 91.1 | Very high | 84.2 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 7% | 0.072 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 150.9 | 159.7 | 75.2 | -120.8 | -94.9 | -115.9 | -161.2 | 110.1 | E210 W218 S220 | R176-E210 HydrophobicContact CG-CG 3.68Å; R176-E210 IonicContact CZ-OE2 2.66Å; R176-E210 PolarHBondContact N-O 3.47Å; R176-E210 IonicContact NH2-OE1 2.73Å; R176-E210 PolarHBondContact NH2-OE1 3.18Å; R176-E210 IonicContact NH2-OE2 3.95Å; R176-E210 PolarHBondContact NH2-OE2 2.89Å; R176-E210 PolarHBondContact O-N 2.77Å; R176-E210 VanDerWaalsContact O-N 3.12Å; R176-W218 HydrophobicContact CB-CH2 4.35Å; R176-W218 VanDerWaalsContact CD-CZ3 3.4Å; R176-W218 HydrophobicContact CG-CE3 4.49Å; R176-W218 HydrophobicContact CG-CZ3 4.35Å; R176-S220 PolarHBondContact NH2-OG 3.15Å |
| 177 | L | 92.4 | Very high | 84 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.01 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 144.6 | 176.2 | -62.6 | -172.4 | 0 | 0 | 0 | 111.1 | I156 Q160 M163 L189 V207 M209 | I156-L177 HydrophobicContact CG2-CD1 3.79Å; Q160-L177 HydrophobicContact CB-CD1 3.87Å; Q160-L177 HydrophobicContact CB-CG 4.44Å; M163-L177 HydrophobicContact SD-CD2 3.61Å; L177-L189 HydrophobicContact CB-CB 4.03Å; L177-L189 HydrophobicContact CB-CD1 4.16Å; L177-L189 PolarHBondContact O-N 3.44Å; L177-V207 HydrophobicContact CB-CG1 4.18Å; L177-V207 HydrophobicContact CD1-CG1 4.19Å; L177-V207 HydrophobicContact CD2-CG1 4.12Å; L177-V207 HydrophobicContact CG-CG1 4.4Å; L177-M209 HydrophobicContact CD2-CB 3.59Å; L177-M209 HydrophobicContact CD2-CG 3.76Å; L177-M209 HydrophobicContact CD2-SD 4.23Å |
| 178 | W | 92.2 | Very high | 83.8 | Confident | 53 Ų | 53 | 65.4 Ų | 65.4 | 20% | 0.201 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 139.1 | 171.5 | -56.6 | 86.8 | 0 | 0 | 0 | 109.4 | E187 R188 V207 I208 E210 | W178-E187 CarbonylContact C-O 3.59Å; W178-E187 WeakPolarHBondContact CA-O 3.32Å; W178-R188 HydrophobicContact CD2-CB 4.21Å; W178-R188 HydrophobicContact CD2-CG 4.26Å; W178-R188 HydrophobicContact CE3-CB 3.64Å; W178-R188 HydrophobicContact CE3-CG 4.17Å; W178-R188 HydrophobicContact CH2-CB 4.23Å; W178-R188 HydrophobicContact CH2-CG 4.45Å; W178-R188 HydrophobicContact CZ3-CB 3.65Å; W178-R188 HydrophobicContact CZ3-CG 4.28Å; W178-V207 CarbonylContact O-C 3.49Å; W178-V207 VanDerWaalsContact O-CA 3.29Å; W178-V207 WeakPolarHBondContact O-CA 3.41Å; W178-I208 HydrophobicContact CB-CB 4.41Å; W178-I208 PolarHBondContact N-O 2.86Å; W178-I208 PolarHBondContact O-N 2.99Å; W178-E210 PolarHBondContact NE1-OE2 3.23Å |
| 179 | M | 91.4 | Very high | 83.7 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 10% | 0.103 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 133.3 | 165.7 | 63 | -172 | -73.6 | 0 | 0 | 109.3 | C186 E187 L189 L201 M205 | M179-C186 CarbonylContact O-C 3.5Å; M179-C186 WeakPolarHBondContact O-CA 3.47Å; M179-E187 HydrophobicContact CG-CB 3.89Å; M179-E187 PolarHBondContact N-O 2.86Å; M179-E187 PolarHBondContact O-N 3.16Å; M179-E187 HydrophobicContact SD-CB 4.41Å; M179-L189 HydrophobicContact CB-CD1 4.25Å; M179-L189 HydrophobicContact CB-CD2 4.38Å; M179-L189 HydrophobicContact CB-CG 4.23Å; M179-L189 HydrophobicContact CG-CD2 4.24Å; M179-L189 HydrophobicContact CG-CG 4.38Å; M179-L189 HydrophobicContact SD-CD2 3.77Å; M179-L201 HydrophobicContact CB-CD2 3.82Å; M179-L201 HydrophobicContact CE-CD2 4.1Å; M179-L201 HydrophobicContact SD-CD2 4.33Å; M179-M205 HydrophobicContact CE-SD 4.16Å |
| 180 | K | 87.8 | Confident | 83.5 | Confident | 74 Ų | 74 | 64 Ų | 64 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 119.8 | 173 | -176.9 | -176.3 | 176.6 | -169.7 | 0 | 109.5 | S185 T206 I208 | K180-S185 WeakPolarHBondContact CA-O 3.16Å; K180-T206 PolarHBondContact N-O 3.18Å; K180-I208 HydrophobicContact CB-CD1 4.12Å |
| 181 | S | 73.6 | Confident | 83.5 | Confident | 38 Ų | 38 | 62.1 Ų | 62.1 | 27% | 0.266 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 164 | 175.7 | 174.6 | 0 | 0 | 0 | 0 | 111.7 | D183 S184 S185 | S181-D183 WeakPolarHBondContact CB-OD1 3.49Å; S181-D183 PolarHBondContact O-N 2.74Å; S181-D183 PolarHBondContact OG-OD1 3.21Å; S181-S184 PolarHBondContact O-N 3.02Å; S181-S185 WeakPolarHBondContact CB-OG 3.43Å; S181-S185 PolarHBondContact N-O 3.23Å |
| 182 | S | 69.4 | Low | 83.8 | Confident | 129 Ų | 129 | 57.3 Ų | 57.3 | 90% | 0.902 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21.2 | 178.9 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | S184 | S182-S184 PolarHBondContact O-N 2.91Š|
| 183 | D | 69.1 | Low | 84.2 | Confident | 113 Ų | 113 | 59.2 Ų | 59.2 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 3.8 | 170.7 | 68.6 | -4.8 | 0 | 0 | 0 | 113.6 | S181 S185 | S181-D183 WeakPolarHBondContact CB-OD1 3.49Å; S181-D183 PolarHBondContact O-N 2.74Å; S181-D183 PolarHBondContact OG-OD1 3.21Å; D183-S185 PolarHBondContact O-N 2.78Å; D183-S185 VanDerWaalsContact OD1-CB 3.25Å; D183-S185 WeakPolarHBondContact OD1-CB 3.42Å; D183-S185 PolarHBondContact OD1-N 3.05Å; D183-S185 PolarHBondContact OD1-OG 3.03Å; D183-S185 PolarHBondContact OD2-OG 2.81Å |
| 184 | S | 68.3 | Low | 84.3 | Confident | 82 Ų | 82 | 59.2 Ų | 59.2 | 57% | 0.573 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 66.9 | 8.1 | -173.3 | -56.8 | 0 | 0 | 0 | 0 | 116.3 | S181 S182 | S181-S184 PolarHBondContact O-N 3.02Å; S182-S184 PolarHBondContact O-N 2.91Å |
| 185 | S | 75.8 | Confident | 84.5 | Confident | 58 Ų | 58 | 58.4 Ų | 58.4 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | trans | -65.2 | 150.2 | 164.2 | 68.8 | 0 | 0 | 0 | 0 | 110.7 | K180 S181 D183 | K180-S185 WeakPolarHBondContact CA-O 3.16Å; S181-S185 WeakPolarHBondContact CB-OG 3.43Å; S181-S185 PolarHBondContact N-O 3.23Å; D183-S185 PolarHBondContact O-N 2.78Å; D183-S185 VanDerWaalsContact OD1-CB 3.25Å; D183-S185 WeakPolarHBondContact OD1-CB 3.42Å; D183-S185 PolarHBondContact OD1-N 3.05Å; D183-S185 PolarHBondContact OD1-OG 3.03Å; D183-S185 PolarHBondContact OD2-OG 2.81Å | ||
| 186 | C | 82.9 | Confident | 84.5 | Confident | 65 Ų | 65 | 57.6 Ų | 57.6 | 44% | 0.439 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 109.5 | 178.5 | -67.2 | 0 | 0 | 0 | 0 | 109.2 | M179 | M179-C186 CarbonylContact O-C 3.5Å; M179-C186 WeakPolarHBondContact O-CA 3.47Å |
| 187 | E | 86.5 | Confident | 84.3 | Confident | 133 Ų | 133 | 60 Ų | 60 | 62% | 0.621 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 147.9 | 177.2 | -179.6 | 160.4 | -159.7 | 0 | 0 | 110.7 | W178 M179 | W178-E187 CarbonylContact C-O 3.59Å; W178-E187 WeakPolarHBondContact CA-O 3.32Å; M179-E187 HydrophobicContact CG-CB 3.89Å; M179-E187 PolarHBondContact N-O 2.86Å; M179-E187 PolarHBondContact O-N 3.16Å; M179-E187 HydrophobicContact SD-CB 4.41Å |
| 188 | R | 88.4 | Confident | 84.1 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 21% | 0.211 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 117.4 | -176.1 | -168.2 | 176.4 | 165.4 | -135.1 | -12.6 | 111.1 | W178 R190 E294 | W178-R188 HydrophobicContact CD2-CB 4.21Å; W178-R188 HydrophobicContact CD2-CG 4.26Å; W178-R188 HydrophobicContact CE3-CB 3.64Å; W178-R188 HydrophobicContact CE3-CG 4.17Å; W178-R188 HydrophobicContact CH2-CB 4.23Å; W178-R188 HydrophobicContact CH2-CG 4.45Å; W178-R188 HydrophobicContact CZ3-CB 3.65Å; W178-R188 HydrophobicContact CZ3-CG 4.28Å; R188-R190 HydrophobicContact CB-CG 4.27Å; R188-R190 HydrophobicContact CG-CG 4.01Å; R188-R190 PolarHBondContact O-N 3.23Å; R188-E294 IonicContact CZ-OE1 3.35Å; R188-E294 VanDerWaalsContact CZ-OE1 3.25Å; R188-E294 IonicContact CZ-OE2 2.76Å; R188-E294 IonicContact NH1-OE1 3.61Å; R188-E294 PolarHBondContact NH1-OE1 3.41Å; R188-E294 VanDerWaalsContact NH1-OE1 3.08Å; R188-E294 IonicContact NH1-OE2 3.72Å; R188-E294 PolarHBondContact NH1-OE2 3.45Å; R188-E294 IonicContact NH2-OE1 3.94Å; R188-E294 PolarHBondContact NH2-OE1 2.89Å; R188-E294 IonicContact NH2-OE2 2.69Å |
| 189 | L | 89.4 | Confident | 83.9 | Confident | 18 Ų | 18 | 63 Ų | 63 | 9% | 0.094 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 86.9 | 171.9 | -63.9 | 173.6 | 0 | 0 | 0 | 109 | I156 L177 M179 A199 L201 V207 | I156-L189 HydrophobicContact CD1-CD1 4.38Å; I156-L189 HydrophobicContact CG2-CB 4.2Å; I156-L189 HydrophobicContact CG2-CD1 4.28Å; L177-L189 HydrophobicContact CB-CB 4.03Å; L177-L189 HydrophobicContact CB-CD1 4.16Å; L177-L189 PolarHBondContact O-N 3.44Å; M179-L189 HydrophobicContact CB-CD1 4.25Å; M179-L189 HydrophobicContact CB-CD2 4.38Å; M179-L189 HydrophobicContact CB-CG 4.23Å; M179-L189 HydrophobicContact CG-CD2 4.24Å; M179-L189 HydrophobicContact CG-CG 4.38Å; M179-L189 HydrophobicContact SD-CD2 3.77Å; L189-A199 HydrophobicContact CD2-CB 4.12Å; L189-L201 HydrophobicContact CD1-CD1 4.17Å; L189-V207 HydrophobicContact CD1-CG1 4.3Å; L189-V207 HydrophobicContact CD1-CG2 4.22Å |
| 190 | R | 84.6 | Confident | 83.7 | Confident | 80 Ų | 80 | 66.3 Ų | 66.3 | 30% | 0.302 | 37% | 0.373 | S | S | . | . | trans | -81.5 | -49.7 | -175.1 | -55.4 | -171.5 | -156.3 | 157.1 | -1 | 113.5 | R188 V192 F282 E291 | R188-R190 HydrophobicContact CB-CG 4.27Å; R188-R190 HydrophobicContact CG-CG 4.01Å; R188-R190 PolarHBondContact O-N 3.23Å; R190-V192 PolarHBondContact O-N 2.87Å; R190-F282 HydrophobicContact CB-CD1 4.49Å; R190-F282 HydrophobicContact CB-CE1 3.77Å; R190-F282 HydrophobicContact CB-CZ 4.24Å; R190-E291 IonicContact CZ-OE1 3.65Å; R190-E291 VanDerWaalsContact NH1-CD 3.28Å; R190-E291 IonicContact NH1-OE1 2.76Å; R190-E291 PolarHBondContact NH1-OE1 2.68Å; R190-E291 IonicContact NH2-OE1 2.99Å; R190-E291 PolarHBondContact NH2-OE1 2.89Å | ||
| 191 | N | 85.7 | Confident | 83.8 | Confident | 47 Ų | 47 | 63.1 Ų | 63.1 | 25% | 0.251 | 36% | 0.359 | S | S | . | . | trans | -86.4 | 96.2 | -177.3 | -174.5 | -1.5 | 0 | 0 | 0 | 109.7 | Q193 V194 F282 | N191-Q193 PolarHBondContact O-N 3.08Å; N191-Q193 VanDerWaalsContact O-N 3.17Å; N191-Q193 PolarHBondContact OD1-N 2.75Å; N191-V194 HydrophobicContact CB-CG2 3.69Å; N191-V194 WeakPolarHBondContact ND2-CG2 3.45Å; N191-V194 WeakPolarHBondContact O-CB 3.38Å; N191-V194 WeakPolarHBondContact O-CG2 3.27Å; N191-V194 PolarHBondContact O-N 3.49Å; N191-F282 HydrophobicContact CB-CD1 4.39Å; N191-F282 HydrophobicContact CB-CD2 3.5Å; N191-F282 HydrophobicContact CB-CE2 3.69Å; N191-F282 HydrophobicContact CB-CG 3.88Å; N191-F282 HydrophobicContact CB-CZ 4.22Å | ||
| 192 | V | 86.8 | Confident | 84.5 | Confident | 36 Ų | 36 | 64.4 Ų | 64.4 | 22% | 0.218 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -10.4 | -176.7 | -59.2 | 0 | 0 | 0 | 0 | 114 | I156 Y157 R190 | I156-V192 CarbonylContact C-O 3.54Å; I156-V192 HydrophobicContact CG2-CB 4.48Å; I156-V192 HydrophobicContact CG2-CG1 4.39Å; I156-V192 PolarHBondContact N-O 3.43Å; Y157-V192 WeakPolarHBondContact CB-O 3.34Å; Y157-V192 HydrophobicContact CD2-CG2 4.42Å; Y157-V192 PolarHBondContact N-O 2.85Å; R190-V192 PolarHBondContact O-N 2.87Å |
| 193 | Q | 86.9 | Confident | 85.4 | Confident | 125 Ų | 125 | 62.1 Ų | 62.1 | 58% | 0.584 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -4.9 | 178.4 | -51.7 | -58.9 | -16.3 | 0 | 0 | 113.5 | N191 | N191-Q193 PolarHBondContact O-N 3.08Å; N191-Q193 VanDerWaalsContact O-N 3.17Å; N191-Q193 PolarHBondContact OD1-N 2.75Å |
| 194 | V | 89.4 | Confident | 86.2 | Confident | 41 Ų | 41 | 58.6 Ų | 58.6 | 25% | 0.248 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -72.3 | 148.8 | 174.4 | 179.5 | 0 | 0 | 0 | 0 | 109.8 | S155 I156 N191 D198 A199 | S155-V194 CarbonylContact C-O 3.6Å; S155-V194 VanDerWaalsContact CA-O 3.27Å; S155-V194 WeakPolarHBondContact CA-O 3.28Å; I156-V194 PolarHBondContact N-O 2.86Å; N191-V194 HydrophobicContact CB-CG2 3.69Å; N191-V194 WeakPolarHBondContact ND2-CG2 3.45Å; N191-V194 WeakPolarHBondContact O-CB 3.38Å; N191-V194 WeakPolarHBondContact O-CG2 3.27Å; N191-V194 PolarHBondContact O-N 3.49Å; V194-D198 HydrophobicContact CG1-CB 3.43Å; V194-D198 VanDerWaalsContact CG1-CB 3.43Å; V194-A199 HydrophobicContact CG1-CB 4.15Å |
| 195 | S | 91.6 | Very high | 87.3 | Confident | 19 Ų | 19 | 57 Ų | 57 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -73.6 | 160.7 | 176.7 | 77.6 | 0 | 0 | 0 | 0 | 112.6 | D154 L197 D198 A199 | D154-S195 CarbonylContact O-C 2.98Å; D154-S195 VanDerWaalsContact O-CA 3.26Å; D154-S195 WeakPolarHBondContact O-CA 3.48Å; S195-L197 PolarHBondContact O-N 3.31Å; S195-L197 PolarHBondContact OG-N 3.38Å; S195-D198 WeakPolarHBondContact CB-OD2 3.49Å; S195-D198 PolarHBondContact O-N 2.87Å; S195-D198 WeakPolarHBondContact OG-CB 3.29Å; S195-D198 PolarHBondContact OG-N 3.31Å; S195-D198 PolarHBondContact OG-OD2 3.31Å; S195-A199 VanDerWaalsContact O-CB 3.25Å; S195-A199 WeakPolarHBondContact O-CB 3.4Å; S195-A199 PolarHBondContact O-N 2.83Å |
| 196 | V | 90.5 | Very high | 88 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -40.8 | 170.7 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | V132 I134 F150 S151 D154 I159 L201 | V132-V196 HydrophobicContact CB-CG1 4.05Å; V132-V196 HydrophobicContact CG1-CG1 4.21Å; V132-V196 HydrophobicContact CG2-CG1 3.84Å; I134-V196 HydrophobicContact CD1-CG1 4.39Å; F150-V196 HydrophobicContact CB-CG2 4.17Å; S151-V196 WeakPolarHBondContact O-CB 3.44Å; S151-V196 WeakPolarHBondContact O-CG2 3.46Å; D154-V196 HydrophobicContact CB-CG2 4.24Å; D154-V196 WeakPolarHBondContact O-CG2 3.32Å; D154-V196 PolarHBondContact O-N 3.26Å; I159-V196 HydrophobicContact CD1-CG2 4.19Å; V196-L201 HydrophobicContact CG1-CB 3.99Å; V196-L201 PolarHBondContact O-N 3.05Å |
| 197 | L | 87.8 | Confident | 88.6 | Confident | 69 Ų | 69 | 52.7 Ų | 52.7 | 36% | 0.361 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -50 | 178.3 | 179.3 | 64.4 | 0 | 0 | 0 | 112.8 | L121 R152 S195 A199 C200 | L121-L197 HydrophobicContact CD2-CD2 4.15Å; R152-L197 HydrophobicContact CB-CB 4.2Å; R152-L197 WeakPolarHBondContact O-CB 3.33Å; R152-L197 PolarHBondContact O-N 3.38Å; R152-L197 VanDerWaalsContact O-N 3.1Å; S195-L197 PolarHBondContact O-N 3.31Å; S195-L197 PolarHBondContact OG-N 3.38Å; L197-A199 PolarHBondContact O-N 2.64Å; L197-C200 WeakPolarHBondContact O-CA 3.08Å; L197-C200 PolarHBondContact O-N 3.27Å |
| 198 | D | 87.4 | Confident | 88.9 | Confident | 105 Ų | 105 | 46.7 Ų | 46.7 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -23.1 | -177.4 | -62.3 | -51.9 | 0 | 0 | 0 | 112.2 | V194 S195 C200 | V194-D198 HydrophobicContact CG1-CB 3.43Å; V194-D198 VanDerWaalsContact CG1-CB 3.43Å; S195-D198 WeakPolarHBondContact CB-OD2 3.49Å; S195-D198 PolarHBondContact O-N 2.87Å; S195-D198 WeakPolarHBondContact OG-CB 3.29Å; S195-D198 PolarHBondContact OG-N 3.31Å; S195-D198 PolarHBondContact OG-OD2 3.31Å; D198-C200 PolarHBondContact O-N 2.9Å |
| 199 | A | 87.9 | Confident | 89.1 | Confident | 15 Ų | 15 | 44 Ų | 44 | 12% | 0.124 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 6.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I156 L189 V194 S195 L197 L201 | I156-A199 HydrophobicContact CD1-CB 3.72Å; I156-A199 HydrophobicContact CG1-CB 3.98Å; L189-A199 HydrophobicContact CD2-CB 4.12Å; V194-A199 HydrophobicContact CG1-CB 4.15Å; S195-A199 VanDerWaalsContact O-CB 3.25Å; S195-A199 WeakPolarHBondContact O-CB 3.4Å; S195-A199 PolarHBondContact O-N 2.83Å; L197-A199 PolarHBondContact O-N 2.64Å; A199-L201 HydrophobicContact CB-CD1 4.46Å; A199-L201 HydrophobicContact CB-CG 4.29Å; A199-L201 PolarHBondContact O-N 3.2Å; A199-L201 VanDerWaalsContact O-N 3.11Å |
| 200 | C | 89.1 | Confident | 89.3 | Confident | 90 Ų | 90 | 43.4 Ų | 43.4 | 61% | 0.608 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 19.8 | -179.6 | -64.3 | 0 | 0 | 0 | 0 | 115.2 | L197 D198 S202 | L197-C200 WeakPolarHBondContact O-CA 3.08Å; L197-C200 PolarHBondContact O-N 3.27Å; D198-C200 PolarHBondContact O-N 2.9Å; C200-S202 PolarHBondContact O-N 2.78Å |
| 201 | L | 89.3 | Confident | 89.6 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | trans | -73.9 | 123.1 | -178.9 | -70.2 | 176.2 | 0 | 0 | 0 | 110.7 | I134 I156 I159 M179 L189 V196 A199 M205 V207 | I134-L201 HydrophobicContact CD1-CB 4.18Å; I134-L201 HydrophobicContact CD1-CD1 4.05Å; I156-L201 HydrophobicContact CD1-CD1 3.41Å; I156-L201 VanDerWaalsContact CD1-CD1 3.41Å; I159-L201 HydrophobicContact CD1-CD1 3.63Å; M179-L201 HydrophobicContact CB-CD2 3.82Å; M179-L201 HydrophobicContact CE-CD2 4.1Å; M179-L201 HydrophobicContact SD-CD2 4.33Å; L189-L201 HydrophobicContact CD1-CD1 4.17Å; V196-L201 HydrophobicContact CG1-CB 3.99Å; V196-L201 PolarHBondContact O-N 3.05Å; A199-L201 HydrophobicContact CB-CD1 4.46Å; A199-L201 HydrophobicContact CB-CG 4.29Å; A199-L201 PolarHBondContact O-N 3.2Å; A199-L201 VanDerWaalsContact O-N 3.11Å; L201-M205 HydrophobicContact CD2-SD 4.12Å; L201-V207 HydrophobicContact CD1-CG2 4.2Å; L201-V207 HydrophobicContact CD2-CG2 4.1Å | ||
| 202 | S | 87.8 | Confident | 89.8 | Confident | 64 Ų | 64 | 40.7 Ų | 40.7 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | trans | -115.6 | 159.1 | -177.6 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | C200 G204 M205 | C200-S202 PolarHBondContact O-N 2.78Å; S202-G204 PolarHBondContact O-N 3.24Å; S202-M205 PolarHBondContact N-SD 2.71Å; S202-M205 WeakPolarHBondContact O-CB 3.44Å; S202-M205 WeakPolarHBondContact O-CG 3.32Å; S202-M205 PolarHBondContact O-N 2.9Å; S202-M205 VanDerWaalsContact O-N 3.09Å | ||
| 203 | S | 88.3 | Confident | 90 | Very high | 81 Ų | 81 | 41.4 Ų | 41.4 | 57% | 0.566 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 134 | -179.1 | -129.9 | 0 | 0 | 0 | 0 | 111 | E133 | E133-S203 PolarHBondContact N-OG 3.21Å; E133-S203 CarbonylContact O-C 3.6Å; E133-S203 VanDerWaalsContact O-CA 3.29Å; E133-S203 WeakPolarHBondContact O-CA 3.08Å |
| 204 | G | 86.4 | Confident | 90 | Very high | 40 Ų | 40 | 38.9 Ų | 38.9 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 1.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | E133 F135 S202 | E133-G204 PolarHBondContact O-N 2.81Å; F135-G204 WeakPolarHBondContact CD2-O 3.3Å; S202-G204 PolarHBondContact O-N 3.24Å |
| 205 | M | 90.6 | Very high | 89.8 | Confident | 48 Ų | 48 | 37.2 Ų | 37.2 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | trans | -70.6 | 154.3 | 168 | -72.3 | -172.7 | 172.2 | 0 | 0 | 111.5 | F135 M179 L201 S202 | F135-M205 PolarHBondContact N-O 2.94Å; M179-M205 HydrophobicContact CE-SD 4.16Å; L201-M205 HydrophobicContact CD2-SD 4.12Å; S202-M205 PolarHBondContact N-SD 2.71Å; S202-M205 WeakPolarHBondContact O-CB 3.44Å; S202-M205 WeakPolarHBondContact O-CG 3.32Å; S202-M205 PolarHBondContact O-N 2.9Å; S202-M205 VanDerWaalsContact O-N 3.09Å | ||
| 206 | T | 91.6 | Very high | 89.5 | Confident | 33 Ų | 33 | 36.6 Ų | 36.6 | 20% | 0.202 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 127.1 | 176 | -52.2 | 0 | 0 | 0 | 0 | 111.2 | F135 K180 I208 | F135-T206 HydrophobicContact CB-CG2 4.29Å; F135-T206 CarbonylContact O-C 3.48Å; F135-T206 VanDerWaalsContact O-CA 3.3Å; F135-T206 WeakPolarHBondContact O-CA 3.22Å; K180-T206 PolarHBondContact N-O 3.18Å; T206-I208 HydrophobicContact CG2-CG1 4.28Å |
| 207 | V | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 123.9 | 168 | 176.2 | 0 | 0 | 0 | 0 | 109.4 | I134 F135 L136 C137 I159 M163 L177 W178 L189 L201 | I134-V207 HydrophobicContact CG2-CB 4.09Å; I134-V207 HydrophobicContact CG2-CG2 3.61Å; F135-V207 PolarHBondContact O-N 3.48Å; L136-V207 HydrophobicContact CD2-CB 4.21Å; C137-V207 PolarHBondContact N-O 2.94Å; C137-V207 VanDerWaalsContact N-O 3.17Å; I159-V207 HydrophobicContact CG2-CG1 4.41Å; M163-V207 HydrophobicContact CE-CG1 4.27Å; M163-V207 VanDerWaalsContact CE-O 3.25Å; M163-V207 WeakPolarHBondContact CE-O 3.37Å; M163-V207 HydrophobicContact SD-CG1 3.83Å; L177-V207 HydrophobicContact CB-CG1 4.18Å; L177-V207 HydrophobicContact CD1-CG1 4.19Å; L177-V207 HydrophobicContact CD2-CG1 4.12Å; L177-V207 HydrophobicContact CG-CG1 4.4Å; W178-V207 CarbonylContact O-C 3.49Å; W178-V207 VanDerWaalsContact O-CA 3.29Å; W178-V207 WeakPolarHBondContact O-CA 3.41Å; L189-V207 HydrophobicContact CD1-CG1 4.3Å; L189-V207 HydrophobicContact CD1-CG2 4.22Å; L201-V207 HydrophobicContact CD1-CG2 4.2Å; L201-V207 HydrophobicContact CD2-CG2 4.1Å |
| 208 | I | 93.4 | Very high | 89.5 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.036 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 123.6 | -179.8 | -52.4 | 163.9 | 0 | 0 | 0 | 108.1 | H139 M142 W178 K180 T206 | H139-I208 HydrophobicContact CB-CG2 3.92Å; M142-I208 HydrophobicContact CE-CD1 3.65Å; M142-I208 HydrophobicContact CE-CG1 4.4Å; W178-I208 HydrophobicContact CB-CB 4.41Å; W178-I208 PolarHBondContact N-O 2.86Å; W178-I208 PolarHBondContact O-N 2.99Å; K180-I208 HydrophobicContact CB-CD1 4.12Å; T206-I208 HydrophobicContact CG2-CG1 4.28Å |
| 209 | M | 93.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 136.2 | 172 | -176.8 | 170.5 | 65.4 | 0 | 0 | 110.5 | C137 L138 H139 M163 F167 V169 C175 L177 | C137-M209 PolarHBondContact O-N 3Å; L138-M209 CarbonylContact C-O 3.54Å; L138-M209 WeakPolarHBondContact CA-O 3.47Å; L138-M209 HydrophobicContact CD2-CB 4.35Å; L138-M209 HydrophobicContact CD2-CE 3.52Å; H139-M209 PolarHBondContact N-O 3.13Å; M163-M209 HydrophobicContact CB-CE 3.68Å; M163-M209 HydrophobicContact CB-SD 3.79Å; M163-M209 HydrophobicContact CE-CB 3.47Å; M163-M209 VanDerWaalsContact CE-CB 3.47Å; M163-M209 HydrophobicContact SD-CB 3.92Å; F167-M209 HydrophobicContact CD2-CE 4.03Å; V169-M209 HydrophobicContact CG2-CE 3.6Å; C175-M209 HydrophobicContact CB-CG 3.92Å; C175-M209 HydrophobicContact CB-SD 3.91Å; L177-M209 HydrophobicContact CD2-CB 3.59Å; L177-M209 HydrophobicContact CD2-CG 3.76Å; L177-M209 HydrophobicContact CD2-SD 4.23Å |
| 210 | E | 92.9 | Very high | 89.2 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 148 | 163.6 | 65.9 | 178 | -72.9 | 0 | 0 | 110.6 | H139 C175 R176 W178 W218 P219 S220 | H139-E210 HydrophobicContact CB-CB 3.65Å; C175-E210 CarbonylContact C-O 3.56Å; C175-E210 WeakPolarHBondContact CA-O 3.48Å; R176-E210 HydrophobicContact CG-CG 3.68Å; R176-E210 IonicContact CZ-OE2 2.66Å; R176-E210 PolarHBondContact N-O 3.47Å; R176-E210 IonicContact NH2-OE1 2.73Å; R176-E210 PolarHBondContact NH2-OE1 3.18Å; R176-E210 IonicContact NH2-OE2 3.95Å; R176-E210 PolarHBondContact NH2-OE2 2.89Å; R176-E210 PolarHBondContact O-N 2.77Å; R176-E210 VanDerWaalsContact O-N 3.12Å; W178-E210 PolarHBondContact NE1-OE2 3.23Å; E210-W218 HydrophobicContact CG-CE3 4.24Å; E210-P219 HydrophobicContact CB-CG 4.43Å; E210-P219 WeakPolarHBondContact OE1-CD 3.44Å; E210-S220 PolarHBondContact OE1-N 3.29Å; E210-S220 PolarHBondContact OE1-OG 2.8Å; E210-S220 WeakPolarHBondContact OE2-CB 3.29Å; E210-S220 PolarHBondContact OE2-OG 3.46Å |
| 211 | T | 90.9 | Very high | 88.5 | Confident | 43 Ų | 43 | 31.8 Ų | 31.8 | 26% | 0.264 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 143.5 | 177.7 | -57.3 | 0 | 0 | 0 | 0 | 109.1 | E174 P219 | E174-T211 CarbonylContact O-C 3.56Å; E174-T211 VanDerWaalsContact O-CA 3.29Å; E174-T211 WeakPolarHBondContact O-CA 3.36Å; E174-T211 WeakPolarHBondContact O-CG2 3.28Å; T211-P219 WeakPolarHBondContact O-CD 3.4Å; T211-P219 WeakPolarHBondContact O-CG 3.26Å |
| 212 | R | 90.6 | Very high | 87.4 | Confident | 28 Ų | 28 | 36.3 Ų | 36.3 | 11% | 0.106 | 23% | 0.229 | C | C | . | . | trans | -64.5 | 136.6 | 179.2 | -166.6 | -172.2 | -71.4 | -83.8 | 3.3 | 110.3 | E174 G216 T217 W218 D298 | E174-R212 HydrophobicContact CB-CB 3.98Å; E174-R212 PolarHBondContact O-N 3.34Å; E174-R212 IonicContact OE1-NE 2.72Å; E174-R212 PolarHBondContact OE1-NE 2.88Å; E174-R212 VanDerWaalsContact OE1-NE 3.08Å; E174-R212 IonicContact OE2-CZ 2.72Å; E174-R212 VanDerWaalsContact OE2-CZ 3.25Å; E174-R212 IonicContact OE2-NE 3.34Å; E174-R212 PolarHBondContact OE2-NE 2.74Å; E174-R212 IonicContact OE2-NH2 3.56Å; E174-R212 PolarHBondContact OE2-NH2 3.26Å; R212-G216 WeakPolarHBondContact CD-O 3.19Å; R212-G216 PolarHBondContact NH1-O 2.68Å; R212-T217 WeakPolarHBondContact CG-O 3.49Å; R212-W218 HydrophobicContact CB-CD2 4.48Å; R212-W218 HydrophobicContact CB-CE3 3.93Å; R212-W218 HydrophobicContact CB-CH2 3.96Å; R212-W218 HydrophobicContact CB-CZ2 4.5Å; R212-W218 HydrophobicContact CB-CZ3 3.64Å; R212-W218 HydrophobicContact CG-CD2 4.41Å; R212-W218 HydrophobicContact CG-CE3 4.32Å; R212-W218 HydrophobicContact CG-CZ3 4.41Å; R212-W218 VanDerWaalsContact CZ-CZ2 3.49Å; R212-W218 VanDerWaalsContact N-CZ3 3.33Å; R212-D298 IonicContact CZ-OD1 3.3Å; R212-D298 VanDerWaalsContact CZ-OD1 3.22Å; R212-D298 IonicContact NH1-OD1 2.89Å; R212-D298 PolarHBondContact NH1-OD1 3.31Å; R212-D298 IonicContact NH2-OD1 2.79Å; R212-D298 PolarHBondContact NH2-OD1 3.3Å | ||
| 213 | N | 89.6 | Confident | 85.7 | Confident | 51 Ų | 51 | 37 Ų | 37 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | trans | -69.7 | 151 | 172.8 | -64.5 | -41.9 | 0 | 0 | 0 | 110.5 | D215 G216 T217 | N213-D215 WeakPolarHBondContact CB-OD1 3.16Å; N213-D215 PolarHBondContact O-N 2.87Å; N213-G216 PolarHBondContact O-N 2.75Å; N213-T217 WeakPolarHBondContact CB-O 3.22Å; N213-T217 PolarHBondContact N-O 2.84Å; N213-T217 PolarHBondContact ND2-O 2.78Å; N213-T217 PolarHBondContact ND2-OG1 2.91Å | ||
| 214 | A | 86.6 | Confident | 83.7 | Confident | 72 Ų | 72 | 41 Ų | 41 | 60% | 0.595 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 12.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R307 | A214-R307 VanDerWaalsContact O-CZ 3.3Å; A214-R307 PolarHBondContact O-NE 3.07Å; A214-R307 PolarHBondContact O-NH2 2.84Å |
| 215 | D | 85.3 | Confident | 81.7 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.032 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 6.1 | 164.1 | 74.3 | -17.7 | 0 | 0 | 0 | 112 | N213 T217 R222 S305 R307 H308 | N213-D215 WeakPolarHBondContact CB-OD1 3.16Å; N213-D215 PolarHBondContact O-N 2.87Å; D215-T217 VanDerWaalsContact C-N 3.28Å; D215-T217 PolarHBondContact O-N 3.08Å; D215-T217 VanDerWaalsContact OD1-CB 3.29Å; D215-T217 WeakPolarHBondContact OD1-CB 3.24Å; D215-T217 WeakPolarHBondContact OD1-CG2 3.26Å; D215-T217 PolarHBondContact OD1-N 3.23Å; D215-T217 PolarHBondContact OD1-OG1 2.67Å; D215-T217 VanDerWaalsContact OD2-CG2 3.27Å; D215-T217 WeakPolarHBondContact OD2-CG2 3.28Å; D215-T217 PolarHBondContact OD2-OG1 2.85Å; D215-R222 IonicContact OD2-CZ 3.22Å; D215-R222 IonicContact OD2-NE 3.86Å; D215-R222 IonicContact OD2-NH2 3.71Å; D215-R222 PolarHBondContact OD2-NH2 2.98Å; D215-S305 WeakPolarHBondContact O-CB 3.49Å; D215-S305 PolarHBondContact O-OG 2.83Å; D215-R307 HydrophobicContact CB-CB 3.98Å; D215-R307 HydrophobicContact CB-CG 4.27Å; D215-H308 PolarHBondContact O-CD2 3.27Å; D215-H308 PolarHBondContact O-NE2 2.93Å; D215-H308 IonicContact OD2-CE1 3.36Å; D215-H308 IonicContact OD2-NE2 2.79Å |
| 216 | G | 86.4 | Confident | 79.5 | Confident | 6 Ų | 6 | 49 Ų | 49 | 6% | 0.062 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 83.9 | -12.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R212 N213 | R212-G216 WeakPolarHBondContact CD-O 3.19Å; R212-G216 PolarHBondContact NH1-O 2.68Å; N213-G216 PolarHBondContact O-N 2.75Å |
| 217 | T | 89.3 | Confident | 77.3 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 9% | 0.092 | 30% | 0.298 | C | S | . | . | trans | -79.6 | 159 | -177 | 69.7 | 0 | 0 | 0 | 0 | 112.8 | R212 N213 D215 R222 Q302 | R212-T217 WeakPolarHBondContact CG-O 3.49Å; N213-T217 WeakPolarHBondContact CB-O 3.22Å; N213-T217 PolarHBondContact N-O 2.84Å; N213-T217 PolarHBondContact ND2-O 2.78Å; N213-T217 PolarHBondContact ND2-OG1 2.91Å; D215-T217 VanDerWaalsContact C-N 3.28Å; D215-T217 PolarHBondContact O-N 3.08Å; D215-T217 VanDerWaalsContact OD1-CB 3.29Å; D215-T217 WeakPolarHBondContact OD1-CB 3.24Å; D215-T217 WeakPolarHBondContact OD1-CG2 3.26Å; D215-T217 PolarHBondContact OD1-N 3.23Å; D215-T217 PolarHBondContact OD1-OG1 2.67Å; D215-T217 VanDerWaalsContact OD2-CG2 3.27Å; D215-T217 WeakPolarHBondContact OD2-CG2 3.28Å; D215-T217 PolarHBondContact OD2-OG1 2.85Å; T217-R222 PolarHBondContact OG1-NE 2.97Å; T217-Q302 HydrophobicContact CG2-CG 4.1Å | ||
| 218 | W | 89.2 | Confident | 74.6 | Confident | 11 Ų | 11 | 64.4 Ų | 64.4 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | trans | -95.3 | 133.7 | 167.7 | -69 | 112.8 | 0 | 0 | 0 | 110.8 | E174 R176 E210 R212 S220 S221 D298 | E174-W218 HydrophobicContact CB-CH2 4.12Å; R176-W218 HydrophobicContact CB-CH2 4.35Å; R176-W218 VanDerWaalsContact CD-CZ3 3.4Å; R176-W218 HydrophobicContact CG-CE3 4.49Å; R176-W218 HydrophobicContact CG-CZ3 4.35Å; E210-W218 HydrophobicContact CG-CE3 4.24Å; R212-W218 HydrophobicContact CB-CD2 4.48Å; R212-W218 HydrophobicContact CB-CE3 3.93Å; R212-W218 HydrophobicContact CB-CH2 3.96Å; R212-W218 HydrophobicContact CB-CZ2 4.5Å; R212-W218 HydrophobicContact CB-CZ3 3.64Å; R212-W218 HydrophobicContact CG-CD2 4.41Å; R212-W218 HydrophobicContact CG-CE3 4.32Å; R212-W218 HydrophobicContact CG-CZ3 4.41Å; R212-W218 VanDerWaalsContact CZ-CZ2 3.49Å; R212-W218 VanDerWaalsContact N-CZ3 3.33Å; W218-S220 VanDerWaalsContact C-N 3.31Å; W218-S220 PolarHBondContact O-N 2.76Å; W218-S221 PolarHBondContact O-N 3.12Å; W218-D298 VanDerWaalsContact NE1-CG 3.33Å; W218-D298 PolarHBondContact NE1-OD1 3.38Å; W218-D298 PolarHBondContact NE1-OD2 3.23Å | ||
| 219 | P | 86.1 | Confident | 72.4 | Confident | 36 Ų | 36 | 66.2 Ų | 66.2 | 23% | 0.234 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -43.7 | -48.8 | 174.6 | -33.8 | 35.4 | 0 | 0 | 0 | 115.2 | E210 T211 S221 R222 | E210-P219 HydrophobicContact CB-CG 4.43Å; E210-P219 WeakPolarHBondContact OE1-CD 3.44Å; T211-P219 WeakPolarHBondContact O-CD 3.4Å; T211-P219 WeakPolarHBondContact O-CG 3.26Å; P219-S221 PolarHBondContact O-N 2.9Å; P219-R222 PolarHBondContact O-N 3.42Å |
| 220 | S | 82.1 | Confident | 70.1 | Confident | 50 Ų | 50 | 67.3 Ų | 67.3 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -73.2 | -8.6 | -178.7 | 60.9 | 0 | 0 | 0 | 0 | 114.6 | R176 E210 W218 | R176-S220 PolarHBondContact NH2-OG 3.15Å; E210-S220 PolarHBondContact OE1-N 3.29Å; E210-S220 PolarHBondContact OE1-OG 2.8Å; E210-S220 WeakPolarHBondContact OE2-CB 3.29Å; E210-S220 PolarHBondContact OE2-OG 3.46Å; W218-S220 VanDerWaalsContact C-N 3.31Å; W218-S220 PolarHBondContact O-N 2.76Å |
| 221 | S | 74 | Confident | 67.9 | Low | 66 Ų | 66 | 75.7 Ų | 75.7 | 46% | 0.462 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -101.4 | -2.1 | -178.3 | -55.3 | 0 | 0 | 0 | 0 | 114 | W218 P219 P223 | W218-S221 PolarHBondContact O-N 3.12Å; P219-S221 PolarHBondContact O-N 2.9Å; S221-P223 WeakPolarHBondContact O-CD 3.44Å |
| 222 | R | 66.1 | Low | 65.9 | Low | 102 Ų | 102 | 81 Ų | 81 | 39% | 0.385 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -78.8 | 117.4 | 172.3 | -76.1 | -174.8 | 169.5 | -158.1 | -4.3 | 110.4 | D215 T217 P219 D234 | D215-R222 IonicContact OD2-CZ 3.22Å; D215-R222 IonicContact OD2-NE 3.86Å; D215-R222 IonicContact OD2-NH2 3.71Å; D215-R222 PolarHBondContact OD2-NH2 2.98Å; T217-R222 PolarHBondContact OG1-NE 2.97Å; P219-R222 PolarHBondContact O-N 3.42Å; R222-D234 IonicContact NH1-OD2 2.68Å; R222-D234 IonicContact NH2-OD2 2.66Å; R222-D234 PolarHBondContact NH2-OD2 2.94Å |
| 223 | P | 53.8 | Low | 64 | Low | 79 Ų | 79 | 82.6 Ų | 82.6 | 51% | 0.513 | 43% | 0.431 | S | S | . | . | trans | -65.9 | 135 | 177.8 | -19 | 32.3 | 0 | 0 | 0 | 111.7 | S221 I225 M226 | S221-P223 WeakPolarHBondContact O-CD 3.44Å; P223-I225 PolarHBondContact O-N 3.12Å; P223-I225 VanDerWaalsContact O-N 3.08Å; P223-M226 PolarHBondContact O-N 2.85Å | ||
| 224 | Q | 46.2 | Very low | 62.4 | Low | 164 Ų | 164 | 83.3 Ų | 83.3 | 77% | 0.766 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -57.5 | -30.5 | -175.9 | -69.1 | -163.4 | -3.2 | 0 | 0 | 114 | M226 R227 | Q224-M226 PolarHBondContact O-N 2.89Å; Q224-R227 PolarHBondContact O-N 2.93Å |
| 225 | I | 44.2 | Very low | 61.4 | Low | 161 Ų | 161 | 84 Ų | 84 | 83% | 0.826 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -59.6 | -27.3 | 178.9 | -61.9 | 173.3 | 0 | 0 | 0 | 112.4 | P223 | P223-I225 PolarHBondContact O-N 3.12Å; P223-I225 VanDerWaalsContact O-N 3.08Å |
| 226 | M | 44.7 | Very low | 61.1 | Low | 96 Ų | 96 | 88 Ų | 88 | 47% | 0.473 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -88.8 | 2.7 | -178.6 | -77.2 | -179.9 | 137.4 | 0 | 0 | 114.8 | P223 Q224 N228 S229 A230 | P223-M226 PolarHBondContact O-N 2.85Å; Q224-M226 PolarHBondContact O-N 2.89Å; M226-N228 PolarHBondContact O-N 2.71Å; M226-S229 PolarHBondContact O-N 2.96Å; M226-A230 PolarHBondContact O-N 2.82Å |
| 227 | R | 44.9 | Very low | 61.1 | Low | 193 Ų | 193 | 96.8 Ų | 96.8 | 73% | 0.728 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -59.3 | -31.3 | 175.9 | -82.6 | -171.9 | 172.5 | -178.9 | -1.7 | 113.2 | Q224 S229 | Q224-R227 PolarHBondContact O-N 2.93Å; R227-S229 VanDerWaalsContact C-N 3.33Å; R227-S229 PolarHBondContact O-N 3.49Å |
| 228 | N | 37.8 | Very low | 61.1 | Low | 162 Ų | 162 | 97.1 Ų | 97.1 | 87% | 0.866 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -80.7 | -8.3 | -175.6 | -64.6 | 5.2 | 0 | 0 | 0 | 114.3 | M226 | M226-N228 PolarHBondContact O-N 2.71Š|
| 229 | S | 45.8 | Very low | 61.3 | Low | 46 Ų | 46 | 99.9 Ų | 99.9 | 32% | 0.322 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -118.6 | 5.1 | 174.6 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | M226 R227 E231 E232 Q233 | M226-S229 PolarHBondContact O-N 2.96Å; R227-S229 VanDerWaalsContact C-N 3.33Å; R227-S229 PolarHBondContact O-N 3.49Å; S229-E231 VanDerWaalsContact C-N 3.28Å; S229-E231 PolarHBondContact O-N 3.37Å; S229-E232 PolarHBondContact O-N 2.72Å; S229-Q233 PolarHBondContact O-N 3.02Å |
| 230 | A | 46.3 | Very low | 61.7 | Low | 23 Ų | 23 | 100 Ų | 100 | 19% | 0.19 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -64.6 | -29.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | M226 E232 Q233 D234 | M226-A230 PolarHBondContact O-N 2.82Å; A230-E232 VanDerWaalsContact C-N 3.29Å; A230-E232 PolarHBondContact O-N 2.93Å; A230-Q233 PolarHBondContact O-N 3.24Å; A230-D234 PolarHBondContact O-N 2.94Å |
| 231 | E | 46.3 | Very low | 62.3 | Low | 180 Ų | 180 | 97.6 Ų | 97.6 | 84% | 0.841 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.2 | -31.2 | 178.8 | -62.1 | -169.5 | 163.5 | 0 | 0 | 112.8 | S229 | S229-E231 VanDerWaalsContact C-N 3.28Å; S229-E231 PolarHBondContact O-N 3.37Å |
| 232 | E | 48.7 | Very low | 63.3 | Low | 153 Ų | 153 | 95.6 Ų | 95.6 | 72% | 0.715 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -77.1 | -40.7 | 172.9 | -64.9 | -171.2 | 140.5 | 0 | 0 | 111.5 | S229 A230 S235 | S229-E232 PolarHBondContact O-N 2.72Å; A230-E232 VanDerWaalsContact C-N 3.29Å; A230-E232 PolarHBondContact O-N 2.93Å; E232-S235 WeakPolarHBondContact O-CB 3.38Å; E232-S235 PolarHBondContact O-N 3.37Å; E232-S235 PolarHBondContact O-OG 3.42Å |
| 233 | Q | 51.5 | Low | 64.8 | Low | 63 Ų | 63 | 90.8 Ų | 90.8 | 29% | 0.294 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71.6 | -42.2 | -177 | -74.3 | -173.9 | -36.9 | 0 | 0 | 113.8 | S229 A230 S235 Y236 | S229-Q233 PolarHBondContact O-N 3.02Å; A230-Q233 PolarHBondContact O-N 3.24Å; Q233-S235 PolarHBondContact O-N 2.9Å; Q233-S235 VanDerWaalsContact O-N 3.11Å; Q233-Y236 PolarHBondContact O-N 2.84Å; Q233-Y236 VanDerWaalsContact O-N 3.08Å |
| 234 | D | 55.8 | Low | 66.9 | Low | 66 Ų | 66 | 87 Ų | 87 | 35% | 0.353 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -8.8 | 176.7 | -99.5 | -60.7 | 0 | 0 | 0 | 112.9 | R222 A230 R307 | R222-D234 IonicContact NH1-OD2 2.68Å; R222-D234 IonicContact NH2-OD2 2.66Å; R222-D234 PolarHBondContact NH2-OD2 2.94Å; A230-D234 PolarHBondContact O-N 2.94Å; D234-R307 IonicContact OD1-NH1 3.54Å; D234-R307 PolarHBondContact OD1-NH1 2.8Å |
| 235 | S | 65.5 | Low | 69.3 | Low | 87 Ų | 87 | 79.2 Ų | 79.2 | 61% | 0.608 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -23 | 171.1 | 86.6 | 0 | 0 | 0 | 0 | 114.2 | E232 Q233 | E232-S235 WeakPolarHBondContact O-CB 3.38Å; E232-S235 PolarHBondContact O-N 3.37Å; E232-S235 PolarHBondContact O-OG 3.42Å; Q233-S235 PolarHBondContact O-N 2.9Å; Q233-S235 VanDerWaalsContact O-N 3.11Å |
| 236 | Y | 78.4 | Confident | 71.8 | Confident | 90 Ų | 90 | 73.5 Ų | 73.5 | 35% | 0.353 | 37% | 0.365 | S | S | . | . | trans | -72.3 | 136 | -172 | -175.7 | -98.5 | 0 | 0 | 0 | 112.4 | Q233 R307 | Q233-Y236 PolarHBondContact O-N 2.84Å; Q233-Y236 VanDerWaalsContact O-N 3.08Å; Y236-R307 WeakPolarHBondContact CD1-O 3.44Å | ||
| 237 | R | 86.8 | Confident | 74.1 | Confident | 190 Ų | 190 | 71.2 Ų | 71.2 | 72% | 0.717 | 35% | 0.354 | S | S | * | . | trans | -137 | 81.9 | 179.2 | -66.4 | -63.3 | -177.7 | 132.1 | 3.4 | 110 | G306 | R237-G306 CarbonylContact C-O 3.54Å; R237-G306 WeakPolarHBondContact CA-O 3.49Å | ||
| 238 | G | 88.6 | Confident | 76.4 | Confident | 21 Ų | 21 | 63.8 Ų | 63.8 | 22% | 0.216 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -88.5 | 173.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | G306 | G238-G306 PolarHBondContact N-O 2.98Å; G238-G306 WeakPolarHBondContact O-CA 3.49Å |
| 239 | Q | 93.4 | Very high | 78.8 | Confident | 69 Ų | 69 | 57.7 Ų | 57.7 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 127.4 | 170.1 | 175.4 | 68.4 | 37.4 | 0 | 0 | 109.5 | G241 V242 N939 | Q239-G241 PolarHBondContact O-N 3.28Å; Q239-V242 HydrophobicContact CB-CB 4.06Å; Q239-V242 HydrophobicContact CB-CG2 3.72Å; Q239-V242 HydrophobicContact CG-CB 4.38Å; Q239-V242 HydrophobicContact CG-CG2 3.54Å; Q239-V242 WeakPolarHBondContact O-CB 3.33Å; Q239-V242 PolarHBondContact O-N 3.42Å; Q239-N939 PolarHBondContact NE2-OD1 3.29Å |
| 240 | P | 95.5 | Very high | 80.9 | Confident | 39 Ų | 39 | 58.8 Ų | 58.8 | 25% | 0.253 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 132.8 | 171.5 | -31.8 | 38.6 | 0 | 0 | 0 | 112.8 | V242 W304 N939 | P240-V242 PolarHBondContact O-N 3.04Å; P240-W304 HydrophobicContact CB-CE3 3.74Å; P240-W304 HydrophobicContact CB-CZ3 4.35Å; P240-W304 WeakPolarHBondContact CB-O 3.49Å; P240-W304 WeakPolarHBondContact O-CZ3 3.49Å; P240-N939 PolarHBondContact O-ND2 2.7Å |
| 241 | G | 93.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -14.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q239 C243 M303 W304 | Q239-G241 PolarHBondContact O-N 3.28Å; G241-C243 VanDerWaalsContact C-N 3.26Å; G241-C243 PolarHBondContact O-N 3.47Å; G241-C243 VanDerWaalsContact O-N 3.13Å; G241-M303 PolarHBondContact N-O 2.92Å; G241-W304 VanDerWaalsContact CA-CE2 3.48Å |
| 242 | V | 96.3 | Very high | 85.5 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 15% | 0.145 | 26% | 0.258 | C | S | . | . | trans | -90.2 | 66.2 | 174.2 | -171.8 | 0 | 0 | 0 | 0 | 108.7 | Q239 P240 N939 Y946 V953 | Q239-V242 HydrophobicContact CB-CB 4.06Å; Q239-V242 HydrophobicContact CB-CG2 3.72Å; Q239-V242 HydrophobicContact CG-CB 4.38Å; Q239-V242 HydrophobicContact CG-CG2 3.54Å; Q239-V242 WeakPolarHBondContact O-CB 3.33Å; Q239-V242 PolarHBondContact O-N 3.42Å; P240-V242 PolarHBondContact O-N 3.04Å; V242-N939 HydrophobicContact CG2-CB 4.5Å; V242-Y946 HydrophobicContact CG1-CD1 3.76Å; V242-Y946 HydrophobicContact CG1-CE1 3.67Å; V242-Y946 HydrophobicContact CG1-CG 4.32Å; V242-Y946 HydrophobicContact CG2-CD1 4.37Å; V242-Y946 HydrophobicContact CG2-CD2 4.04Å; V242-Y946 HydrophobicContact CG2-CE1 4Å; V242-Y946 HydrophobicContact CG2-CE2 3.64Å; V242-Y946 HydrophobicContact CG2-CG 4.39Å; V242-V953 HydrophobicContact CG1-CB 4.41Å; V242-V953 HydrophobicContact CG1-CG1 3.72Å | ||
| 243 | C | 96.7 | Very high | 87.7 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | trans | -134.1 | 132 | -172.7 | -168.5 | 0 | 0 | 0 | 0 | 110.8 | G241 Q259 M303 H308 | G241-C243 VanDerWaalsContact C-N 3.26Å; G241-C243 PolarHBondContact O-N 3.47Å; G241-C243 VanDerWaalsContact O-N 3.13Å; C243-Q259 PolarHBondContact O-NE2 2.92Å; C243-M303 HydrophobicContact CB-CB 4.07Å; C243-M303 HydrophobicContact CB-CG 4.28Å; C243-H308 PolarHBondContact SG-O 2.89Å | ||
| 244 | G | 97.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 172.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y309 S310 V311 D950 | G244-Y309 PolarHBondContact N-O 3.15Å; G244-S310 VanDerWaalsContact C-OG 3.31Å; G244-S310 CarbonylContact O-C 3.46Å; G244-S310 VanDerWaalsContact O-CA 3.3Å; G244-S310 WeakPolarHBondContact O-CA 3.3Å; G244-S310 PolarHBondContact O-OG 2.83Å; G244-V311 PolarHBondContact O-N 3.16Å; G244-D950 CarbonylContact C-O 3.56Å; G244-D950 WeakPolarHBondContact CA-O 3.27Å |
| 245 | L | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 115.7 | 171.5 | -70.6 | 172.4 | 0 | 0 | 0 | 110.2 | N247 N255 L258 Q259 I299 M303 S310 V311 P313 D950 S951 | L245-N247 PolarHBondContact O-N 2.79Å; L245-N255 HydrophobicContact CB-CB 3.96Å; L245-N255 WeakPolarHBondContact CB-OD1 3.36Å; L245-N255 HydrophobicContact CD1-CB 4.31Å; L245-N255 PolarHBondContact O-ND2 2.9Å; L245-N255 VanDerWaalsContact O-ND2 3.09Å; L245-L258 HydrophobicContact CD1-CB 3.57Å; L245-L258 HydrophobicContact CD1-CD1 3.91Å; L245-L258 HydrophobicContact CD1-CG 4.42Å; L245-Q259 HydrophobicContact CD1-CG 4.31Å; L245-I299 HydrophobicContact CD2-CG2 4.34Å; L245-M303 HydrophobicContact CD1-CE 4.2Å; L245-M303 HydrophobicContact CD1-SD 4.36Å; L245-M303 HydrophobicContact CD2-CE 4.44Å; L245-M303 HydrophobicContact CD2-CG 4.5Å; L245-M303 HydrophobicContact CD2-SD 4.05Å; L245-M303 HydrophobicContact CG-CE 4.17Å; L245-M303 HydrophobicContact CG-SD 4.38Å; L245-S310 PolarHBondContact N-OG 2.93Å; L245-V311 WeakPolarHBondContact CA-O 3.46Å; L245-V311 HydrophobicContact CD2-CB 4.04Å; L245-V311 HydrophobicContact CD2-CG1 4.4Å; L245-P313 HydrophobicContact CD2-CG 4.47Å; L245-D950 PolarHBondContact N-O 3.49Å; L245-D950 CarbonylContact O-C 3.53Å; L245-D950 VanDerWaalsContact O-CA 3.23Å; L245-D950 WeakPolarHBondContact O-CA 3.3Å; L245-D950 WeakPolarHBondContact O-CB 3.23Å; L245-S951 PolarHBondContact O-N 3.39Å |
| 246 | T | 96.3 | Very high | 93.4 | Very high | 41 Ų | 41 | 32.6 Ų | 32.6 | 25% | 0.252 | 17% | 0.168 | S | C | . | . | trans | -70 | 121.4 | -175.6 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | S310 V311 | T246-S310 PolarHBondContact N-OG 3.46Å; T246-S310 PolarHBondContact OG1-OG 3.13Å; T246-V311 PolarHBondContact N-O 3.4Å | ||
| 247 | N | 93.7 | Very high | 94.3 | Very high | 48 Ų | 48 | 28.4 Ų | 28.4 | 26% | 0.257 | 15% | 0.153 | S | C | . | . | trans | -58.6 | 138.1 | 176 | -159.5 | -42.4 | 0 | 0 | 0 | 111.7 | L245 G249 N250 T251 D950 | L245-N247 PolarHBondContact O-N 2.79Å; N247-G249 PolarHBondContact OD1-N 2.82Å; N247-N250 PolarHBondContact OD1-N 2.84Å; N247-T251 PolarHBondContact OD1-N 2.97Å; N247-T251 PolarHBondContact OD1-OG1 3.05Å; N247-D950 HydrophobicContact CB-CB 4.21Å; N247-D950 WeakPolarHBondContact CB-OD2 3.35Å; N247-D950 PolarHBondContact ND2-OD2 2.91Å | ||
| 248 | L | 91.6 | Very high | 94.9 | Very high | 37 Ų | 37 | 19.4 Ų | 19.4 | 19% | 0.194 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -110.6 | 18.4 | -178.8 | -59.6 | 175.7 | 0 | 0 | 0 | 112.8 | T251 V312 P313 R314 K317 Y330 | L248-T251 HydrophobicContact CB-CG2 3.87Å; L248-T251 PolarHBondContact N-OG1 2.82Å; L248-V312 HydrophobicContact CD2-CG1 3.89Å; L248-P313 HydrophobicContact CD1-CG 4.28Å; L248-R314 HydrophobicContact CD1-CB 4.45Å; L248-R314 HydrophobicContact CD1-CG 3.85Å; L248-R314 HydrophobicContact CD2-CG 3.87Å; L248-K317 HydrophobicContact CD1-CB 3.96Å; L248-K317 HydrophobicContact CD1-CG 4.25Å; L248-Y330 WeakPolarHBondContact O-CD1 3.36Å; L248-Y330 WeakPolarHBondContact O-CE1 3.19Å |
| 249 | G | 88.1 | Confident | 95.3 | Very high | 33 Ų | 33 | 18.5 Ų | 18.5 | 34% | 0.34 | 11% | 0.109 | S | C | . | . | S | Bend | trans | 99.7 | 100.2 | -175 | 0 | 0 | 0 | 0 | 0 | 110.5 | N247 T251 | N247-G249 PolarHBondContact OD1-N 2.82Å; G249-T251 WeakPolarHBondContact O-CG2 3.45Å; G249-T251 PolarHBondContact O-N 2.86Å |
| 250 | N | 90.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 15.2 Ų | 15.2 | 37% | 0.374 | 9% | 0.094 | S | C | . | . | S | Bend | trans | 55 | 28.2 | -175.8 | -64.3 | -32.5 | 0 | 0 | 0 | 114.8 | N247 F253 Y330 Q332 | N247-N250 PolarHBondContact OD1-N 2.84Å; N250-F253 WeakPolarHBondContact O-CD1 3.35Å; N250-F253 VanDerWaalsContact O-CE1 3.25Å; N250-F253 WeakPolarHBondContact O-CE1 3.24Å; N250-Y330 PolarHBondContact ND2-O 2.89Å; N250-Q332 HydrophobicContact CB-CG 4.16Å; N250-Q332 PolarHBondContact OD1-NE2 3Å; N250-Q332 VanDerWaalsContact OD1-NE2 3.12Å |
| 251 | T | 94.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 13.4 Ų | 13.4 | 2% | 0.018 | 8% | 0.082 | C | C | . | . | trans | -97.4 | 16.5 | -179.9 | 71.3 | 0 | 0 | 0 | 0 | 114.3 | N247 L248 G249 F253 M254 N255 K317 | N247-T251 PolarHBondContact OD1-N 2.97Å; N247-T251 PolarHBondContact OD1-OG1 3.05Å; L248-T251 HydrophobicContact CB-CG2 3.87Å; L248-T251 PolarHBondContact N-OG1 2.82Å; G249-T251 WeakPolarHBondContact O-CG2 3.45Å; G249-T251 PolarHBondContact O-N 2.86Å; T251-F253 VanDerWaalsContact C-N 3.27Å; T251-F253 PolarHBondContact O-N 2.93Å; T251-M254 WeakPolarHBondContact O-CB 3.43Å; T251-M254 PolarHBondContact O-N 2.85Å; T251-M254 VanDerWaalsContact O-N 3.1Å; T251-N255 PolarHBondContact O-N 2.89Å; T251-K317 HydrophobicContact CG2-CG 4.39Å | ||
| 252 | C | 95.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.2 | -32.3 | 179.8 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | M254 N255 S256 H932 Y933 D950 | C252-M254 VanDerWaalsContact C-N 3.27Å; C252-M254 PolarHBondContact O-N 3.49Å; C252-N255 PolarHBondContact O-N 2.71Å; C252-S256 WeakPolarHBondContact O-CB 3.26Å; C252-S256 PolarHBondContact O-N 3.43Å; C252-H932 WeakPolarHBondContact CB-ND1 3.49Å; C252-H932 PolarHBondContact SG-ND1 3.38Å; C252-Y933 WeakPolarHBondContact CB-O 3.43Å; C252-D950 WeakPolarHBondContact CA-OD1 3.43Å |
| 253 | F | 95.1 | Very high | 96 | Very high | 9 Ų | 9 | 12.3 Ų | 12.3 | 4% | 0.039 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -56.1 | -41.3 | 171.4 | 74.8 | -84.9 | 0 | 0 | 0 | 112.2 | N250 T251 A257 F327 H333 L338 Y933 | N250-F253 WeakPolarHBondContact O-CD1 3.35Å; N250-F253 VanDerWaalsContact O-CE1 3.25Å; N250-F253 WeakPolarHBondContact O-CE1 3.24Å; T251-F253 VanDerWaalsContact C-N 3.27Å; T251-F253 PolarHBondContact O-N 2.93Å; F253-A257 PolarHBondContact O-N 2.73Å; F253-F327 AromaticContact CE2-CD1 3.84Å; F253-F327 HydrophobicContact CE2-CD1 3.84Å; F253-F327 HydrophobicContact CE2-CE1 4.16Å; F253-F327 HydrophobicContact CZ-CD1 4.08Å; F253-H333 HydrophobicContact CD1-CB 4.01Å; F253-H333 HydrophobicContact CD2-CB 3.81Å; F253-H333 HydrophobicContact CE1-CB 3.89Å; F253-H333 AromaticContact CE1-CD2 3.72Å; F253-H333 HydrophobicContact CE2-CB 3.67Å; F253-H333 HydrophobicContact CG-CB 3.99Å; F253-H333 HydrophobicContact CZ-CB 3.73Å; F253-H333 AromaticContact CZ-CD2 3.67Å; F253-H333 AromaticContact CZ-CG 3.94Å; F253-L338 HydrophobicContact CD2-CB 4.04Å; F253-L338 HydrophobicContact CD2-CD2 3.79Å; F253-L338 HydrophobicContact CD2-CG 4.5Å; F253-L338 HydrophobicContact CE2-CB 4.05Å; F253-L338 HydrophobicContact CE2-CD1 4.47Å; F253-L338 HydrophobicContact CE2-CD2 3.74Å; F253-L338 HydrophobicContact CE2-CG 4.29Å; F253-Y933 HydrophobicContact CB-CD2 3.52Å; F253-Y933 HydrophobicContact CB-CE2 3.55Å; F253-Y933 HydrophobicContact CB-CG 4.14Å |
| 254 | M | 96.6 | Very high | 96 | Very high | 4 Ų | 4 | 12.3 Ų | 12.3 | 2% | 0.02 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -71.1 | -42.2 | 176.6 | -176.8 | -173.1 | 75.5 | 0 | 0 | 111.8 | T251 C252 A257 L258 P313 F316 K317 L338 | T251-M254 WeakPolarHBondContact O-CB 3.43Å; T251-M254 PolarHBondContact O-N 2.85Å; T251-M254 VanDerWaalsContact O-N 3.1Å; C252-M254 VanDerWaalsContact C-N 3.27Å; C252-M254 PolarHBondContact O-N 3.49Å; M254-A257 PolarHBondContact O-N 3.45Å; M254-L258 HydrophobicContact CG-CD1 3.97Å; M254-L258 HydrophobicContact CG-CG 4.45Å; M254-L258 WeakPolarHBondContact O-CB 3.3Å; M254-L258 VanDerWaalsContact O-CG 3.27Å; M254-L258 WeakPolarHBondContact O-CG 3.39Å; M254-L258 PolarHBondContact O-N 3.31Å; M254-P313 HydrophobicContact CE-CB 3.95Å; M254-P313 HydrophobicContact CE-CG 3.58Å; M254-F316 HydrophobicContact CG-CD1 4.42Å; M254-F316 HydrophobicContact CG-CE1 4.12Å; M254-F316 HydrophobicContact SD-CD1 3.8Å; M254-F316 HydrophobicContact SD-CE1 4.04Å; M254-K317 HydrophobicContact CE-CB 4.21Å; M254-K317 HydrophobicContact CE-CG 4.31Å; M254-K317 HydrophobicContact SD-CB 4.22Å; M254-K317 HydrophobicContact SD-CG 4.22Å; M254-L338 HydrophobicContact CB-CD2 3.63Å; M254-L338 HydrophobicContact CG-CD2 3.76Å |
| 255 | N | 97.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 13.3 Ų | 13.3 | 2% | 0.016 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 178.6 | -66.3 | -19.5 | 0 | 0 | 0 | 111.1 | L245 T251 C252 L258 Q259 D950 | L245-N255 HydrophobicContact CB-CB 3.96Å; L245-N255 WeakPolarHBondContact CB-OD1 3.36Å; L245-N255 HydrophobicContact CD1-CB 4.31Å; L245-N255 PolarHBondContact O-ND2 2.9Å; L245-N255 VanDerWaalsContact O-ND2 3.09Å; T251-N255 PolarHBondContact O-N 2.89Å; C252-N255 PolarHBondContact O-N 2.71Å; N255-L258 PolarHBondContact O-N 3.29Å; N255-Q259 VanDerWaalsContact O-CG 3.25Å; N255-Q259 WeakPolarHBondContact O-CG 3.24Å; N255-Q259 PolarHBondContact O-N 3.27Å; N255-D950 PolarHBondContact ND2-OD1 3.08Å |
| 256 | S | 97.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.014 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.3 | -47.9 | 176.5 | -176.3 | 0 | 0 | 0 | 0 | 112.5 | C252 L258 Q259 C260 S922 T934 | C252-S256 WeakPolarHBondContact O-CB 3.26Å; C252-S256 PolarHBondContact O-N 3.43Å; S256-L258 PolarHBondContact O-N 3.28Å; S256-Q259 PolarHBondContact O-N 2.9Å; S256-C260 PolarHBondContact O-N 2.94Å; S256-C260 VanDerWaalsContact O-N 3.17Å; S256-C260 PolarHBondContact O-SG 2.87Å; S256-C260 VanDerWaalsContact O-SG 3.38Å; S256-S922 WeakPolarHBondContact OG-CB 3.25Å; S256-S922 PolarHBondContact OG-OG 2.96Å; S256-T934 PolarHBondContact OG-O 2.84Å |
| 257 | A | 97.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 12.7 Ų | 12.7 | 3% | 0.025 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | F253 M254 C260 L261 L338 | F253-A257 PolarHBondContact O-N 2.73Å; M254-A257 PolarHBondContact O-N 3.45Å; A257-C260 PolarHBondContact O-N 2.81Å; A257-L261 WeakPolarHBondContact O-CG 3.42Å; A257-L261 PolarHBondContact O-N 2.92Å; A257-L261 VanDerWaalsContact O-N 3.09Å; A257-L338 HydrophobicContact CB-CD2 4.3Å |
| 258 | L | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.4 | -39.2 | 176.1 | -77 | 173.6 | 0 | 0 | 0 | 112.8 | L245 M254 N255 S256 L261 S262 Y296 I299 F316 | L245-L258 HydrophobicContact CD1-CB 3.57Å; L245-L258 HydrophobicContact CD1-CD1 3.91Å; L245-L258 HydrophobicContact CD1-CG 4.42Å; M254-L258 HydrophobicContact CG-CD1 3.97Å; M254-L258 HydrophobicContact CG-CG 4.45Å; M254-L258 WeakPolarHBondContact O-CB 3.3Å; M254-L258 VanDerWaalsContact O-CG 3.27Å; M254-L258 WeakPolarHBondContact O-CG 3.39Å; M254-L258 PolarHBondContact O-N 3.31Å; N255-L258 PolarHBondContact O-N 3.29Å; S256-L258 PolarHBondContact O-N 3.28Å; L258-L261 PolarHBondContact O-N 2.93Å; L258-S262 WeakPolarHBondContact O-CB 3.45Å; L258-S262 PolarHBondContact O-N 3.14Å; L258-Y296 HydrophobicContact CD2-CD2 3.83Å; L258-Y296 HydrophobicContact CD2-CE2 3.8Å; L258-I299 HydrophobicContact CD1-CD1 4.14Å; L258-F316 HydrophobicContact CD1-CD1 4.01Å; L258-F316 HydrophobicContact CD1-CE1 3.84Å; L258-F316 HydrophobicContact CD2-CE1 3.81Å; L258-F316 HydrophobicContact CD2-CZ 3.79Å; L258-F316 HydrophobicContact CG-CE1 4.12Å |
| 259 | Q | 98.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 10.5 Ų | 10.5 | 1% | 0.014 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 177.4 | -70.7 | -68.2 | 3.9 | 0 | 0 | 112.3 | C243 L245 N255 S256 S262 N263 M303 S935 F948 | C243-Q259 PolarHBondContact O-NE2 2.92Å; L245-Q259 HydrophobicContact CD1-CG 4.31Å; N255-Q259 VanDerWaalsContact O-CG 3.25Å; N255-Q259 WeakPolarHBondContact O-CG 3.24Å; N255-Q259 PolarHBondContact O-N 3.27Å; S256-Q259 PolarHBondContact O-N 2.9Å; Q259-S262 PolarHBondContact O-N 2.81Å; Q259-N263 PolarHBondContact O-N 3.23Å; Q259-N263 VanDerWaalsContact O-N 3.08Å; Q259-N263 PolarHBondContact O-ND2 3.34Å; Q259-M303 VanDerWaalsContact CD-CE 3.5Å; Q259-S935 WeakPolarHBondContact CB-OG 3.47Å; Q259-F948 HydrophobicContact CG-CB 3.88Å; Q259-F948 HydrophobicContact CG-CD1 4.21Å; Q259-F948 HydrophobicContact CG-CG 4.06Å; Q259-F948 VanDerWaalsContact NE2-CD1 3.32Å |
| 260 | C | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -65.4 | -45.4 | 176.1 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | S256 A257 N263 T264 A920 F970 | S256-C260 PolarHBondContact O-N 2.94Å; S256-C260 VanDerWaalsContact O-N 3.17Å; S256-C260 PolarHBondContact O-SG 2.87Å; S256-C260 VanDerWaalsContact O-SG 3.38Å; A257-C260 PolarHBondContact O-N 2.81Å; C260-N263 PolarHBondContact O-N 3.32Å; C260-T264 PolarHBondContact O-N 3.32Å; C260-T264 PolarHBondContact O-OG1 2.8Å; C260-A920 HydrophobicContact CB-CB 3.95Å; C260-F970 HydrophobicContact CB-CD1 4.27Å; C260-F970 HydrophobicContact CB-CD2 3.75Å; C260-F970 HydrophobicContact CB-CE1 3.99Å; C260-F970 HydrophobicContact CB-CE2 3.44Å; C260-F970 VanDerWaalsContact CB-CE2 3.44Å; C260-F970 HydrophobicContact CB-CG 4.17Å; C260-F970 HydrophobicContact CB-CZ 3.57Å |
| 261 | L | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -65.5 | -39.7 | 175.1 | -71.1 | 169.2 | 0 | 0 | 0 | 112.1 | A257 L258 N263 T264 L267 Y296 L339 L342 L343 F392 F970 | A257-L261 WeakPolarHBondContact O-CG 3.42Å; A257-L261 PolarHBondContact O-N 2.92Å; A257-L261 VanDerWaalsContact O-N 3.09Å; L258-L261 PolarHBondContact O-N 2.93Å; L261-N263 VanDerWaalsContact C-N 3.3Å; L261-N263 PolarHBondContact O-N 3.37Å; L261-T264 VanDerWaalsContact O-CB 3.25Å; L261-T264 WeakPolarHBondContact O-CB 3.49Å; L261-T264 PolarHBondContact O-N 2.64Å; L261-L267 HydrophobicContact CB-CD2 4.41Å; L261-L267 HydrophobicContact CD2-CD2 4.04Å; L261-Y296 HydrophobicContact CB-CE2 4.23Å; L261-Y296 WeakPolarHBondContact CB-OH 3.33Å; L261-Y296 HydrophobicContact CD1-CE2 4.37Å; L261-Y296 PolarHBondContact O-OH 2.99Å; L261-L339 HydrophobicContact CD1-CD1 3.8Å; L261-L339 HydrophobicContact CD2-CD1 3.92Å; L261-L339 HydrophobicContact CG-CD1 3.89Å; L261-L342 HydrophobicContact CD1-CB 4.49Å; L261-L342 HydrophobicContact CD1-CD1 4.35Å; L261-L343 HydrophobicContact CD2-CD2 4.21Å; L261-F392 HydrophobicContact CD2-CZ 4.14Å; L261-F970 HydrophobicContact CD2-CE1 4.08Å; L261-F970 HydrophobicContact CG-CE1 4.44Å |
| 262 | S | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -63.7 | -32.3 | 178.3 | -176.6 | 0 | 0 | 0 | 0 | 113.1 | L258 Q259 T264 T268 I300 W304 | L258-S262 WeakPolarHBondContact O-CB 3.45Å; L258-S262 PolarHBondContact O-N 3.14Å; Q259-S262 PolarHBondContact O-N 2.81Å; S262-T264 VanDerWaalsContact C-N 3.34Å; S262-T268 PolarHBondContact O-OG1 2.85Å; S262-I300 WeakPolarHBondContact OG-CD1 3.4Å; S262-W304 VanDerWaalsContact O-CZ2 3.32Å; S262-W304 WeakPolarHBondContact O-CZ2 3.49Å; S262-W304 PolarHBondContact O-NE1 2.99Å; S262-W304 PolarHBondContact OG-NE1 3Å |
| 263 | N | 97.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.011 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 10.9 | 174.3 | -69.5 | -84.7 | 0 | 0 | 0 | 113.4 | Q259 C260 L261 P265 A937 | Q259-N263 PolarHBondContact O-N 3.23Å; Q259-N263 VanDerWaalsContact O-N 3.08Å; Q259-N263 PolarHBondContact O-ND2 3.34Å; C260-N263 PolarHBondContact O-N 3.32Å; L261-N263 VanDerWaalsContact C-N 3.3Å; L261-N263 PolarHBondContact O-N 3.37Å; N263-P265 VanDerWaalsContact O-CD 3.26Å; N263-P265 WeakPolarHBondContact O-CD 3.12Å; N263-A937 HydrophobicContact CB-CB 3.63Å |
| 264 | T | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -83.6 | 106.7 | 169.7 | -61.5 | 0 | 0 | 0 | 0 | 110 | C260 L261 S262 L267 T268 T391 F392 V867 I919 | C260-T264 PolarHBondContact O-N 3.32Å; C260-T264 PolarHBondContact O-OG1 2.8Å; L261-T264 VanDerWaalsContact O-CB 3.25Å; L261-T264 WeakPolarHBondContact O-CB 3.49Å; L261-T264 PolarHBondContact O-N 2.64Å; S262-T264 VanDerWaalsContact C-N 3.34Å; T264-L267 HydrophobicContact CG2-CB 4.21Å; T264-L267 PolarHBondContact O-N 2.71Å; T264-T268 PolarHBondContact O-N 2.86Å; T264-T268 VanDerWaalsContact O-N 3.1Å; T264-T391 HydrophobicContact CG2-CG2 4.37Å; T264-F392 HydrophobicContact CG2-CE1 4.06Å; T264-F392 HydrophobicContact CG2-CZ 3.84Å; T264-V867 HydrophobicContact CG2-CB 4.29Å; T264-V867 HydrophobicContact CG2-CG1 3.93Å; T264-V867 HydrophobicContact CG2-CG2 3.78Å; T264-I919 HydrophobicContact CG2-CD1 4.41Å | ||
| 265 | P | 95.2 | Very high | 96.3 | Very high | 21 Ų | 21 | 18.1 Ų | 18.1 | 14% | 0.136 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | -163.8 | -22.6 | 33.8 | 0 | 0 | 0 | 115.7 | N263 L267 T268 E269 K940 | N263-P265 VanDerWaalsContact O-CD 3.26Å; N263-P265 WeakPolarHBondContact O-CD 3.12Å; P265-L267 PolarHBondContact O-N 2.78Å; P265-T268 PolarHBondContact O-N 3.23Å; P265-E269 WeakPolarHBondContact O-CB 3.43Å; P265-E269 WeakPolarHBondContact O-CG 3.4Å; P265-E269 PolarHBondContact O-N 3.31Å; P265-K940 HydrophobicContact CB-CB 4.4Å; P265-K940 HydrophobicContact CB-CD 4.03Å; P265-K940 HydrophobicContact CG-CB 4.09Å |
| 266 | P | 95.4 | Very high | 96.1 | Very high | 28 Ų | 28 | 18.1 Ų | 18.1 | 18% | 0.182 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.5 | -43 | -179.3 | -24 | 34.7 | 0 | 0 | 0 | 113 | Y270 T391 E866 V867 | P266-Y270 WeakPolarHBondContact O-CB 3.4Å; P266-Y270 PolarHBondContact O-N 3.44Å; P266-Y270 VanDerWaalsContact O-N 3.14Å; P266-T391 HydrophobicContact CB-CG2 4.22Å; P266-T391 HydrophobicContact CG-CG2 4.46Å; P266-E866 WeakPolarHBondContact CG-OE1 3.43Å; P266-V867 HydrophobicContact CG-CG2 4.35Å |
| 267 | L | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.4 | -48.4 | 179.9 | -171.7 | 67.7 | 0 | 0 | 0 | 111 | L261 T264 P265 Y270 F271 Y296 V387 I388 F392 | L261-L267 HydrophobicContact CB-CD2 4.41Å; L261-L267 HydrophobicContact CD2-CD2 4.04Å; T264-L267 HydrophobicContact CG2-CB 4.21Å; T264-L267 PolarHBondContact O-N 2.71Å; P265-L267 PolarHBondContact O-N 2.78Å; L267-Y270 PolarHBondContact O-N 3.37Å; L267-F271 HydrophobicContact CD1-CD2 4.26Å; L267-F271 HydrophobicContact CD1-CE2 3.75Å; L267-F271 HydrophobicContact CG-CD2 4.2Å; L267-F271 HydrophobicContact CG-CE2 4.06Å; L267-F271 VanDerWaalsContact O-CD2 3.25Å; L267-F271 WeakPolarHBondContact O-CD2 3.39Å; L267-F271 PolarHBondContact O-N 2.84Å; L267-F271 VanDerWaalsContact O-N 3.16Å; L267-Y296 HydrophobicContact CD2-CE1 4.26Å; L267-Y296 HydrophobicContact CG-CE1 4.45Å; L267-V387 HydrophobicContact CD1-CG1 4.12Å; L267-V387 HydrophobicContact CD1-CG2 4.4Å; L267-I388 HydrophobicContact CD1-CD1 3.71Å; L267-F392 HydrophobicContact CD1-CE2 4.42Å; L267-F392 HydrophobicContact CD2-CE2 4.11Å; L267-F392 HydrophobicContact CD2-CZ 4.11Å |
| 268 | T | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.5 | -39.6 | 179.5 | -76.9 | 0 | 0 | 0 | 0 | 112.3 | S262 T264 P265 Y270 F271 L272 I300 W304 | S262-T268 PolarHBondContact O-OG1 2.85Å; T264-T268 PolarHBondContact O-N 2.86Å; T264-T268 VanDerWaalsContact O-N 3.1Å; P265-T268 PolarHBondContact O-N 3.23Å; T268-Y270 PolarHBondContact O-N 2.82Å; T268-F271 PolarHBondContact O-N 2.94Å; T268-L272 HydrophobicContact CG2-CD1 3.65Å; T268-L272 HydrophobicContact CG2-CG 4.22Å; T268-L272 WeakPolarHBondContact O-CB 3.37Å; T268-L272 VanDerWaalsContact O-CG 3.25Å; T268-L272 WeakPolarHBondContact O-CG 3.34Å; T268-L272 PolarHBondContact O-N 3.15Å; T268-I300 HydrophobicContact CG2-CG2 4.05Å; T268-W304 HydrophobicContact CG2-CD2 3.97Å; T268-W304 HydrophobicContact CG2-CG 4.11Å; T268-W304 HydrophobicContact CG2-CZ2 4.27Å |
| 269 | E | 94.9 | Very high | 95.1 | Very high | 39 Ų | 39 | 30.1 Ų | 30.1 | 18% | 0.182 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.9 | -42 | 175.3 | -78.8 | -177.6 | -167.8 | 0 | 0 | 112.4 | P265 L272 Q273 K940 R978 | P265-E269 WeakPolarHBondContact O-CB 3.43Å; P265-E269 WeakPolarHBondContact O-CG 3.4Å; P265-E269 PolarHBondContact O-N 3.31Å; E269-L272 PolarHBondContact O-N 2.91Å; E269-Q273 VanDerWaalsContact O-CB 3.32Å; E269-Q273 WeakPolarHBondContact O-CB 3.46Å; E269-Q273 VanDerWaalsContact O-CG 3.23Å; E269-Q273 WeakPolarHBondContact O-CG 3.49Å; E269-Q273 PolarHBondContact O-N 3.42Å; E269-K940 IonicContact OE1-NZ 3.21Å; E269-R978 IonicContact OE2-CZ 2.75Å; E269-R978 IonicContact OE2-NH1 2.87Å; E269-R978 PolarHBondContact OE2-NH1 2.86Å |
| 270 | Y | 95.8 | Very high | 94.8 | Very high | 25 Ų | 25 | 30.6 Ų | 30.6 | 10% | 0.098 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 175.8 | 167.6 | -90.8 | 0 | 0 | 0 | 112.9 | P266 L267 T268 S274 S275 Y276 E279 L350 V387 | P266-Y270 WeakPolarHBondContact O-CB 3.4Å; P266-Y270 PolarHBondContact O-N 3.44Å; P266-Y270 VanDerWaalsContact O-N 3.14Å; L267-Y270 PolarHBondContact O-N 3.37Å; T268-Y270 PolarHBondContact O-N 2.82Å; Y270-S274 PolarHBondContact O-N 2.85Å; Y270-S275 PolarHBondContact O-N 2.8Å; Y270-Y276 VanDerWaalsContact CE1-CB 3.46Å; Y270-Y276 WeakPolarHBondContact OH-CA 3.24Å; Y270-E279 WeakPolarHBondContact CE2-OE2 3.22Å; Y270-E279 PolarHBondContact OH-OE2 3.21Å; Y270-L350 HydrophobicContact CE1-CD1 3.83Å; Y270-V387 HydrophobicContact CD1-CB 4.24Å; Y270-V387 HydrophobicContact CD1-CG1 4.03Å; Y270-V387 HydrophobicContact CD1-CG2 3.98Å; Y270-V387 HydrophobicContact CD2-CB 4.16Å; Y270-V387 HydrophobicContact CD2-CG2 3.88Å; Y270-V387 HydrophobicContact CE1-CB 4.01Å; Y270-V387 HydrophobicContact CE1-CG1 3.61Å; Y270-V387 HydrophobicContact CE1-CG2 4.27Å; Y270-V387 HydrophobicContact CE2-CB 3.92Å; Y270-V387 HydrophobicContact CE2-CG1 4.41Å; Y270-V387 HydrophobicContact CE2-CG2 4.18Å; Y270-V387 HydrophobicContact CG-CB 4.29Å; Y270-V387 HydrophobicContact CG-CG2 3.75Å |
| 271 | F | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.7 | -39.2 | 175.9 | -79.5 | -70.3 | 0 | 0 | 0 | 112.9 | L267 T268 S274 Y276 Y296 A297 I300 K301 L346 L350 | L267-F271 HydrophobicContact CD1-CD2 4.26Å; L267-F271 HydrophobicContact CD1-CE2 3.75Å; L267-F271 HydrophobicContact CG-CD2 4.2Å; L267-F271 HydrophobicContact CG-CE2 4.06Å; L267-F271 VanDerWaalsContact O-CD2 3.25Å; L267-F271 WeakPolarHBondContact O-CD2 3.39Å; L267-F271 PolarHBondContact O-N 2.84Å; L267-F271 VanDerWaalsContact O-N 3.16Å; T268-F271 PolarHBondContact O-N 2.94Å; F271-S274 PolarHBondContact O-N 2.84Å; F271-S274 VanDerWaalsContact O-N 3.12Å; F271-Y276 AromaticContact CD1-CD1 3.43Å; F271-Y276 HydrophobicContact CD1-CD1 3.43Å; F271-Y276 VanDerWaalsContact CD1-CD1 3.43Å; F271-Y276 HydrophobicContact CD1-CD2 4.35Å; F271-Y276 AromaticContact CD1-CE1 3.89Å; F271-Y276 HydrophobicContact CD1-CE1 3.89Å; F271-Y276 AromaticContact CD1-CG 3.68Å; F271-Y276 HydrophobicContact CD1-CG 3.68Å; F271-Y276 AromaticContact CE1-CD1 4Å; F271-Y276 HydrophobicContact CE1-CD1 4Å; F271-Y276 HydrophobicContact CE1-CD2 4.18Å; F271-Y276 AromaticContact CE1-CG 3.73Å; F271-Y276 HydrophobicContact CE1-CG 3.73Å; F271-Y276 HydrophobicContact CG-CD1 4.38Å; F271-Y296 HydrophobicContact CD1-CD1 4.48Å; F271-Y296 AromaticContact CD2-CD1 3.8Å; F271-Y296 HydrophobicContact CD2-CD1 3.8Å; F271-Y296 AromaticContact CD2-CE1 3.53Å; F271-Y296 HydrophobicContact CD2-CE1 3.53Å; F271-Y296 HydrophobicContact CE1-CD1 4.18Å; F271-Y296 AromaticContact CE2-CD1 3.46Å; F271-Y296 HydrophobicContact CE2-CD1 3.46Å; F271-Y296 VanDerWaalsContact CE2-CD1 3.46Å; F271-Y296 AromaticContact CE2-CE1 3.4Å; F271-Y296 HydrophobicContact CE2-CE1 3.4Å; F271-Y296 VanDerWaalsContact CE2-CE1 3.4Å; F271-Y296 HydrophobicContact CG-CD1 4.31Å; F271-Y296 HydrophobicContact CG-CE1 4.33Å; F271-Y296 AromaticContact CZ-CD1 3.67Å; F271-Y296 HydrophobicContact CZ-CD1 3.67Å; F271-Y296 HydrophobicContact CZ-CE1 4.12Å; F271-A297 HydrophobicContact CD1-CB 3.49Å; F271-A297 VanDerWaalsContact CD1-CB 3.49Å; F271-A297 HydrophobicContact CE1-CB 3.92Å; F271-A297 HydrophobicContact CG-CB 4.41Å; F271-I300 HydrophobicContact CB-CG2 4.23Å; F271-K301 WeakPolarHBondContact O-CE 3.48Å; F271-K301 PolarHBondContact O-NZ 2.8Å; F271-L346 HydrophobicContact CZ-CD2 4.24Å; F271-L350 HydrophobicContact CE1-CD1 4.35Å; F271-L350 HydrophobicContact CZ-CD1 3.8Å |
| 272 | L | 94.3 | Very high | 94.1 | Very high | 64 Ų | 64 | 32.8 Ų | 32.8 | 34% | 0.335 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -70.5 | -30.9 | 178.2 | -66.8 | 175.2 | 0 | 0 | 0 | 113.1 | T268 E269 S274 I300 K301 W304 | T268-L272 HydrophobicContact CG2-CD1 3.65Å; T268-L272 HydrophobicContact CG2-CG 4.22Å; T268-L272 WeakPolarHBondContact O-CB 3.37Å; T268-L272 VanDerWaalsContact O-CG 3.25Å; T268-L272 WeakPolarHBondContact O-CG 3.34Å; T268-L272 PolarHBondContact O-N 3.15Å; E269-L272 PolarHBondContact O-N 2.91Å; L272-S274 PolarHBondContact O-N 3.35Å; L272-I300 HydrophobicContact CD2-CG2 4.19Å; L272-I300 HydrophobicContact CG-CG2 4.26Å; L272-K301 HydrophobicContact CD2-CG 3.99Å; L272-W304 HydrophobicContact CD1-CB 3.79Å; L272-W304 HydrophobicContact CD1-CD2 4.44Å; L272-W304 HydrophobicContact CD1-CG 4.04Å; L272-W304 HydrophobicContact CD2-CB 3.89Å; L272-W304 HydrophobicContact CG-CB 4.44Å |
| 273 | Q | 93.1 | Very high | 93.6 | Very high | 127 Ų | 127 | 37.5 Ų | 37.5 | 59% | 0.593 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -3.2 | 171.5 | -68.7 | 169.1 | 38.1 | 0 | 0 | 112.8 | E269 S275 | E269-Q273 VanDerWaalsContact O-CB 3.32Å; E269-Q273 WeakPolarHBondContact O-CB 3.46Å; E269-Q273 VanDerWaalsContact O-CG 3.23Å; E269-Q273 WeakPolarHBondContact O-CG 3.49Å; E269-Q273 PolarHBondContact O-N 3.42Å; Q273-S275 PolarHBondContact O-N 3.03Å |
| 274 | S | 92.6 | Very high | 93.3 | Very high | 21 Ų | 21 | 37.9 Ų | 37.9 | 15% | 0.147 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 14.6 | -179.2 | -56.3 | 0 | 0 | 0 | 0 | 116.2 | E174 Y270 F271 L272 Y276 L277 K301 | E174-S274 PolarHBondContact OE1-OG 2.71Å; Y270-S274 PolarHBondContact O-N 2.85Å; F271-S274 PolarHBondContact O-N 2.84Å; F271-S274 VanDerWaalsContact O-N 3.12Å; L272-S274 PolarHBondContact O-N 3.35Å; S274-Y276 PolarHBondContact O-N 2.84Å; S274-Y276 VanDerWaalsContact O-N 3.08Å; S274-L277 WeakPolarHBondContact O-CB 3.43Å; S274-L277 WeakPolarHBondContact O-CG 3.48Å; S274-L277 PolarHBondContact O-N 2.81Å; S274-K301 PolarHBondContact OG-NZ 2.81Å |
| 275 | S | 91.4 | Very high | 92.9 | Very high | 42 Ų | 42 | 43.7 Ų | 43.7 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -23.8 | -179.7 | -51.2 | 0 | 0 | 0 | 0 | 113.7 | Y270 Q273 L277 D278 | Y270-S275 PolarHBondContact O-N 2.8Å; Q273-S275 PolarHBondContact O-N 3.03Å; S275-L277 PolarHBondContact O-N 2.79Å; S275-D278 PolarHBondContact O-N 3.18Å |
| 276 | Y | 94.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.2 | -29.4 | 174.1 | 73.2 | -84.6 | 0 | 0 | 0 | 113.7 | Y270 F271 S274 D278 E279 L280 A297 K301 | Y270-Y276 VanDerWaalsContact CE1-CB 3.46Å; Y270-Y276 WeakPolarHBondContact OH-CA 3.24Å; F271-Y276 AromaticContact CD1-CD1 3.43Å; F271-Y276 HydrophobicContact CD1-CD1 3.43Å; F271-Y276 VanDerWaalsContact CD1-CD1 3.43Å; F271-Y276 HydrophobicContact CD1-CD2 4.35Å; F271-Y276 AromaticContact CD1-CE1 3.89Å; F271-Y276 HydrophobicContact CD1-CE1 3.89Å; F271-Y276 AromaticContact CD1-CG 3.68Å; F271-Y276 HydrophobicContact CD1-CG 3.68Å; F271-Y276 AromaticContact CE1-CD1 4Å; F271-Y276 HydrophobicContact CE1-CD1 4Å; F271-Y276 HydrophobicContact CE1-CD2 4.18Å; F271-Y276 AromaticContact CE1-CG 3.73Å; F271-Y276 HydrophobicContact CE1-CG 3.73Å; F271-Y276 HydrophobicContact CG-CD1 4.38Å; S274-Y276 PolarHBondContact O-N 2.84Å; S274-Y276 VanDerWaalsContact O-N 3.08Å; Y276-D278 PolarHBondContact O-N 2.8Å; Y276-E279 PolarHBondContact O-N 3.48Å; Y276-E279 VanDerWaalsContact O-N 3.09Å; Y276-L280 HydrophobicContact CD2-CD1 4.37Å; Y276-L280 HydrophobicContact CD2-CG 4.47Å; Y276-L280 WeakPolarHBondContact O-CG 3.5Å; Y276-L280 PolarHBondContact O-N 3.3Å; Y276-A297 HydrophobicContact CD1-CB 4.41Å; Y276-A297 HydrophobicContact CD2-CB 4.39Å; Y276-A297 HydrophobicContact CE1-CB 3.74Å; Y276-A297 HydrophobicContact CE2-CB 3.74Å; Y276-A297 WeakPolarHBondContact OH-CB 3.26Å; Y276-K301 VanDerWaalsContact CE1-NZ 3.3Å; Y276-K301 PolarHBondContact OH-NZ 3.47Å |
| 277 | L | 90.7 | Very high | 92.3 | Very high | 74 Ų | 74 | 46.9 Ų | 46.9 | 39% | 0.387 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.6 | -33.4 | -177.2 | -67.1 | 175.7 | 0 | 0 | 0 | 112.3 | S274 S275 L280 | S274-L277 WeakPolarHBondContact O-CB 3.43Å; S274-L277 WeakPolarHBondContact O-CG 3.48Å; S274-L277 PolarHBondContact O-N 2.81Å; S275-L277 PolarHBondContact O-N 2.79Å; L277-L280 HydrophobicContact CD2-CD1 4.38Å |
| 278 | D | 88.3 | Confident | 92.1 | Very high | 141 Ų | 141 | 47.8 Ų | 47.8 | 75% | 0.754 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -83 | -23.8 | 178.2 | -60.3 | -47.3 | 0 | 0 | 0 | 112.7 | S275 Y276 | S275-D278 PolarHBondContact O-N 3.18Å; Y276-D278 PolarHBondContact O-N 2.8Å |
| 279 | E | 92.8 | Very high | 91.8 | Very high | 41 Ų | 41 | 53.9 Ų | 53.9 | 19% | 0.192 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -91 | -19.8 | -177.7 | -62.5 | -162.5 | 152.6 | 0 | 0 | 114 | Y270 Y276 R352 K354 | Y270-E279 WeakPolarHBondContact CE2-OE2 3.22Å; Y270-E279 PolarHBondContact OH-OE2 3.21Å; Y276-E279 PolarHBondContact O-N 3.48Å; Y276-E279 VanDerWaalsContact O-N 3.09Å; E279-R352 IonicContact OE1-CZ 2.78Å; E279-R352 IonicContact OE1-NE 2.77Å; E279-R352 PolarHBondContact OE1-NE 2.77Å; E279-R352 IonicContact OE1-NH2 2.85Å; E279-R352 PolarHBondContact OE1-NH2 3.06Å; E279-R352 IonicContact OE2-CZ 3.55Å; E279-R352 IonicContact OE2-NE 2.93Å; E279-R352 IonicContact OE2-NH2 2.67Å; E279-R352 PolarHBondContact OE2-NH2 3.26Å; E279-K354 PolarHBondContact O-NZ 3.13Å |
| 280 | L | 93 | Very high | 91.6 | Very high | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.068 | 28% | 0.28 | C | S | . | . | trans | -42.4 | 135.3 | -178.4 | -82.5 | 169.3 | 0 | 0 | 0 | 113.7 | Y276 L277 F282 A293 E294 D349 L350 K354 | Y276-L280 HydrophobicContact CD2-CD1 4.37Å; Y276-L280 HydrophobicContact CD2-CG 4.47Å; Y276-L280 WeakPolarHBondContact O-CG 3.5Å; Y276-L280 PolarHBondContact O-N 3.3Å; L277-L280 HydrophobicContact CD2-CD1 4.38Å; L280-F282 HydrophobicContact CB-CE2 3.83Å; L280-F282 HydrophobicContact CB-CZ 3.89Å; L280-F282 HydrophobicContact CD1-CE1 4.44Å; L280-F282 HydrophobicContact CD1-CZ 3.82Å; L280-F282 HydrophobicContact CG-CZ 4.4Å; L280-A293 HydrophobicContact CD2-CB 3.97Å; L280-E294 HydrophobicContact CD1-CG 4.23Å; L280-D349 CarbonylContact C-O 3.57Å; L280-D349 WeakPolarHBondContact CA-O 3.42Å; L280-L350 HydrophobicContact CD2-CD2 3.97Å; L280-L350 HydrophobicContact CG-CD2 4.27Å; L280-K354 PolarHBondContact O-NZ 3.05Å | ||
| 281 | N | 91.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | trans | -121.5 | 74.9 | -174.9 | -163.1 | -12.8 | 0 | 0 | 0 | 112.3 | T283 N284 D349 N351 V353 K354 | N281-T283 PolarHBondContact O-N 3.11Å; N281-T283 PolarHBondContact OD1-N 3.42Å; N281-T283 PolarHBondContact OD1-OG1 3.37Å; N281-N284 HydrophobicContact CB-CB 4.21Å; N281-N284 PolarHBondContact O-N 3.07Å; N281-N284 PolarHBondContact OD1-N 2.89Å; N281-N284 VanDerWaalsContact OD1-N 3.17Å; N281-D349 PolarHBondContact N-O 2.93Å; N281-N351 WeakPolarHBondContact CB-O 3.42Å; N281-N351 PolarHBondContact ND2-O 2.88Å; N281-V353 PolarHBondContact ND2-O 2.92Å; N281-K354 HydrophobicContact CB-CD 4.36Å; N281-K354 WeakPolarHBondContact ND2-CD 3.47Å | ||
| 282 | F | 89.9 | Confident | 91.5 | Very high | 45 Ų | 45 | 51.8 Ų | 51.8 | 20% | 0.197 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -17.1 | 176.7 | -54.1 | -77.2 | 0 | 0 | 0 | 114.6 | R190 N191 L280 K289 | R190-F282 HydrophobicContact CB-CD1 4.49Å; R190-F282 HydrophobicContact CB-CE1 3.77Å; R190-F282 HydrophobicContact CB-CZ 4.24Å; N191-F282 HydrophobicContact CB-CD1 4.39Å; N191-F282 HydrophobicContact CB-CD2 3.5Å; N191-F282 HydrophobicContact CB-CE2 3.69Å; N191-F282 HydrophobicContact CB-CG 3.88Å; N191-F282 HydrophobicContact CB-CZ 4.22Å; L280-F282 HydrophobicContact CB-CE2 3.83Å; L280-F282 HydrophobicContact CB-CZ 3.89Å; L280-F282 HydrophobicContact CD1-CE1 4.44Å; L280-F282 HydrophobicContact CD1-CZ 3.82Å; L280-F282 HydrophobicContact CG-CZ 4.4Å; F282-K289 WeakPolarHBondContact CD1-O 3.45Å |
| 283 | T | 87.9 | Confident | 91.6 | Very high | 100 Ų | 100 | 48.7 Ų | 48.7 | 61% | 0.613 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -3.7 | -174.3 | 46.1 | 0 | 0 | 0 | 0 | 114.5 | N281 P285 | N281-T283 PolarHBondContact O-N 3.11Å; N281-T283 PolarHBondContact OD1-N 3.42Å; N281-T283 PolarHBondContact OD1-OG1 3.37Å; T283-P285 WeakPolarHBondContact O-CD 3.12Å |
| 284 | N | 90.4 | Very high | 91.7 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.053 | 24% | 0.239 | C | C | . | . | trans | -68.3 | 120.2 | -178.4 | -169.2 | -7.3 | 0 | 0 | 0 | 110.8 | N281 L286 G287 E348 | N281-N284 HydrophobicContact CB-CB 4.21Å; N281-N284 PolarHBondContact O-N 3.07Å; N281-N284 PolarHBondContact OD1-N 2.89Å; N281-N284 VanDerWaalsContact OD1-N 3.17Å; N284-L286 PolarHBondContact O-N 2.93Å; N284-L286 VanDerWaalsContact O-N 3.16Å; N284-L286 PolarHBondContact OD1-N 2.76Å; N284-L286 VanDerWaalsContact OD1-N 3.1Å; N284-G287 PolarHBondContact O-N 2.81Å; N284-G287 VanDerWaalsContact O-N 3.09Å; N284-E348 WeakPolarHBondContact ND2-CB 3.35Å; N284-E348 PolarHBondContact ND2-O 2.79Å; N284-E348 PolarHBondContact ND2-OE2 2.89Å | ||
| 285 | P | 88.8 | Confident | 91.8 | Very high | 121 Ų | 121 | 42.9 Ų | 42.9 | 79% | 0.786 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -12.8 | 177.4 | 28.6 | -36.2 | 0 | 0 | 0 | 113.7 | T283 | T283-P285 WeakPolarHBondContact O-CD 3.12Š|
| 286 | L | 89.4 | Confident | 92.1 | Very high | 99 Ų | 99 | 40.9 Ų | 40.9 | 52% | 0.518 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -6.3 | 175 | -57.5 | 176.8 | 0 | 0 | 0 | 113.1 | N284 E348 K356 | N284-L286 PolarHBondContact O-N 2.93Å; N284-L286 VanDerWaalsContact O-N 3.16Å; N284-L286 PolarHBondContact OD1-N 2.76Å; N284-L286 VanDerWaalsContact OD1-N 3.1Å; L286-E348 HydrophobicContact CB-CG 4.1Å; L286-E348 WeakPolarHBondContact CD1-OE1 3.4Å; L286-K356 HydrophobicContact CD1-CD 4.15Å |
| 287 | G | 89.5 | Confident | 92.2 | Very high | 17 Ų | 17 | 40.7 Ų | 40.7 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -95.7 | 167.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N284 K289 | N284-G287 PolarHBondContact O-N 2.81Å; N284-G287 VanDerWaalsContact O-N 3.09Å; G287-K289 PolarHBondContact O-N 3.32Å |
| 288 | M | 93.3 | Very high | 92.4 | Very high | 19 Ų | 19 | 38.6 Ų | 38.6 | 9% | 0.094 | 21% | 0.21 | C | C | . | . | trans | -92.5 | 29.7 | 178.2 | -59.8 | 83.3 | -171.9 | 0 | 0 | 111.9 | G290 E291 I292 F323 F341 G345 D349 | M288-G290 PolarHBondContact O-N 3.35Å; M288-E291 VanDerWaalsContact O-CB 3.32Å; M288-E291 WeakPolarHBondContact O-CB 3.23Å; M288-E291 WeakPolarHBondContact O-CG 3.35Å; M288-E291 PolarHBondContact O-N 3.4Å; M288-I292 HydrophobicContact CB-CB 4.39Å; M288-I292 HydrophobicContact CB-CG1 3.72Å; M288-I292 HydrophobicContact CG-CG1 3.67Å; M288-I292 HydrophobicContact SD-CG1 4.11Å; M288-F323 HydrophobicContact CB-CD1 3.95Å; M288-F323 HydrophobicContact CB-CD2 3.87Å; M288-F323 HydrophobicContact CB-CE1 3.88Å; M288-F323 HydrophobicContact CB-CE2 3.82Å; M288-F323 HydrophobicContact CB-CG 3.95Å; M288-F323 HydrophobicContact CB-CZ 3.83Å; M288-F323 HydrophobicContact CG-CB 3.92Å; M288-F323 HydrophobicContact CG-CD1 3.72Å; M288-F323 HydrophobicContact CG-CD2 3.89Å; M288-F323 HydrophobicContact CG-CE1 4.19Å; M288-F323 HydrophobicContact CG-CE2 4.35Å; M288-F323 HydrophobicContact CG-CG 3.56Å; M288-F323 HydrophobicContact CG-CZ 4.49Å; M288-F341 HydrophobicContact CE-CE2 3.72Å; M288-F341 HydrophobicContact CE-CZ 4.15Å; M288-G345 WeakPolarHBondContact SD-CA 3.35Å; M288-D349 VanDerWaalsContact C-OD1 3.24Å; M288-D349 VanDerWaalsContact CA-OD1 3.3Å; M288-D349 WeakPolarHBondContact CA-OD1 3.4Å; M288-D349 PolarHBondContact N-OD1 2.89Å | ||
| 289 | K | 89.9 | Confident | 92.7 | Very high | 128 Ų | 128 | 32.1 Ų | 32.1 | 56% | 0.557 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 31.3 | -177.6 | -51.9 | 176.3 | -177.6 | 176.4 | 0 | 113.7 | F282 G287 E291 D349 | F282-K289 WeakPolarHBondContact CD1-O 3.45Å; G287-K289 PolarHBondContact O-N 3.32Å; K289-E291 VanDerWaalsContact C-N 3.28Å; K289-E291 PolarHBondContact O-N 2.87Å; K289-D349 PolarHBondContact N-OD1 3.18Å |
| 290 | G | 91.2 | Very high | 93 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -4.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | M288 I292 A293 E294 D349 | M288-G290 PolarHBondContact O-N 3.35Å; G290-I292 PolarHBondContact O-N 2.98Å; G290-A293 PolarHBondContact O-N 3.39Å; G290-E294 WeakPolarHBondContact O-CB 3.29Å; G290-E294 VanDerWaalsContact O-CG 3.31Å; G290-E294 WeakPolarHBondContact O-CG 3.41Å; G290-E294 PolarHBondContact O-N 2.96Å; G290-D349 WeakPolarHBondContact CA-OD1 3.46Å; G290-D349 VanDerWaalsContact CA-OD2 3.27Å; G290-D349 WeakPolarHBondContact CA-OD2 3.4Å; G290-D349 VanDerWaalsContact N-CG 3.3Å; G290-D349 PolarHBondContact N-OD1 3.34Å |
| 291 | E | 93.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 30.1 Ų | 30.1 | 9% | 0.093 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.6 | -28.5 | -169.6 | -66 | -168.8 | -165.2 | 0 | 0 | 114.2 | R190 M288 K289 A295 K319 F323 D349 | R190-E291 IonicContact CZ-OE1 3.65Å; R190-E291 VanDerWaalsContact NH1-CD 3.28Å; R190-E291 IonicContact NH1-OE1 2.76Å; R190-E291 PolarHBondContact NH1-OE1 2.68Å; R190-E291 IonicContact NH2-OE1 2.99Å; R190-E291 PolarHBondContact NH2-OE1 2.89Å; M288-E291 VanDerWaalsContact O-CB 3.32Å; M288-E291 WeakPolarHBondContact O-CB 3.23Å; M288-E291 WeakPolarHBondContact O-CG 3.35Å; M288-E291 PolarHBondContact O-N 3.4Å; K289-E291 VanDerWaalsContact C-N 3.28Å; K289-E291 PolarHBondContact O-N 2.87Å; E291-A295 WeakPolarHBondContact O-CB 3.23Å; E291-A295 PolarHBondContact O-N 2.85Å; E291-A295 VanDerWaalsContact O-N 3.17Å; E291-K319 HydrophobicContact CB-CD 4.39Å; E291-K319 WeakPolarHBondContact OE2-CD 3.4Å; E291-K319 WeakPolarHBondContact OE2-CE 3.44Å; E291-K319 IonicContact OE2-NZ 3.71Å; E291-K319 PolarHBondContact OE2-NZ 2.97Å; E291-F323 HydrophobicContact CB-CE2 3.84Å; E291-F323 HydrophobicContact CB-CZ 4.22Å; E291-F323 HydrophobicContact CG-CE2 4.47Å; E291-F323 HydrophobicContact CG-CZ 4.42Å; E291-D349 PolarHBondContact N-OD2 2.91Å |
| 292 | I | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -78.4 | -43.6 | 176.6 | -65.5 | -65.7 | 0 | 0 | 0 | 109.2 | M288 G290 A295 Y296 K319 V320 F323 F341 L342 L346 D349 | M288-I292 HydrophobicContact CB-CB 4.39Å; M288-I292 HydrophobicContact CB-CG1 3.72Å; M288-I292 HydrophobicContact CG-CG1 3.67Å; M288-I292 HydrophobicContact SD-CG1 4.11Å; G290-I292 PolarHBondContact O-N 2.98Å; I292-A295 PolarHBondContact O-N 2.69Å; I292-Y296 VanDerWaalsContact O-CB 3.24Å; I292-Y296 WeakPolarHBondContact O-CB 3.39Å; I292-Y296 PolarHBondContact O-N 2.83Å; I292-K319 HydrophobicContact CD1-CB 4.05Å; I292-V320 HydrophobicContact CD1-CG2 4.23Å; I292-F323 HydrophobicContact CD1-CD2 4.09Å; I292-F323 HydrophobicContact CG1-CD2 4.19Å; I292-F341 HydrophobicContact CD1-CE1 4.36Å; I292-F341 HydrophobicContact CD1-CZ 4.39Å; I292-L342 HydrophobicContact CG2-CD2 4.26Å; I292-L346 HydrophobicContact CG2-CD2 4.13Å; I292-L346 HydrophobicContact CG2-CG 4.4Å; I292-D349 WeakPolarHBondContact CA-OD2 3.5Å; I292-D349 WeakPolarHBondContact CB-OD2 3.3Å; I292-D349 PolarHBondContact N-OD2 2.88Å |
| 293 | A | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L280 G290 A297 L346 D349 L350 | L280-A293 HydrophobicContact CD2-CB 3.97Å; G290-A293 PolarHBondContact O-N 3.39Å; A293-A297 VanDerWaalsContact O-CB 3.29Å; A293-A297 WeakPolarHBondContact O-CB 3.17Å; A293-A297 PolarHBondContact O-N 3.48Å; A293-L346 HydrophobicContact CB-CD2 4.08Å; A293-D349 HydrophobicContact CB-CB 3.68Å; A293-D349 PolarHBondContact N-OD2 3.34Å; A293-L350 HydrophobicContact CB-CD1 4.3Å; A293-L350 HydrophobicContact CB-CD2 3.91Å; A293-L350 HydrophobicContact CB-CG 3.97Å |
| 294 | E | 94 | Very high | 94 | Very high | 17 Ų | 17 | 26 Ų | 26 | 8% | 0.079 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.4 | -45.1 | 175.8 | -72.4 | -170 | 130.1 | 0 | 0 | 112.6 | R188 L280 G290 Y296 A297 D298 | R188-E294 IonicContact CZ-OE1 3.35Å; R188-E294 VanDerWaalsContact CZ-OE1 3.25Å; R188-E294 IonicContact CZ-OE2 2.76Å; R188-E294 IonicContact NH1-OE1 3.61Å; R188-E294 PolarHBondContact NH1-OE1 3.41Å; R188-E294 VanDerWaalsContact NH1-OE1 3.08Å; R188-E294 IonicContact NH1-OE2 3.72Å; R188-E294 PolarHBondContact NH1-OE2 3.45Å; R188-E294 IonicContact NH2-OE1 3.94Å; R188-E294 PolarHBondContact NH2-OE1 2.89Å; R188-E294 IonicContact NH2-OE2 2.69Å; L280-E294 HydrophobicContact CD1-CG 4.23Å; G290-E294 WeakPolarHBondContact O-CB 3.29Å; G290-E294 VanDerWaalsContact O-CG 3.31Å; G290-E294 WeakPolarHBondContact O-CG 3.41Å; G290-E294 PolarHBondContact O-N 2.96Å; E294-Y296 VanDerWaalsContact C-N 3.33Å; E294-Y296 PolarHBondContact O-N 2.88Å; E294-A297 PolarHBondContact O-N 2.76Å; E294-D298 PolarHBondContact O-N 3.36Å |
| 295 | A | 95.5 | Very high | 94.1 | Very high | 8 Ų | 8 | 27 Ų | 27 | 7% | 0.066 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.9 | -32.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E291 I292 I299 F316 K319 | E291-A295 WeakPolarHBondContact O-CB 3.23Å; E291-A295 PolarHBondContact O-N 2.85Å; E291-A295 VanDerWaalsContact O-N 3.17Å; I292-A295 PolarHBondContact O-N 2.69Å; A295-I299 PolarHBondContact O-N 3.27Å; A295-F316 HydrophobicContact CB-CB 4.43Å; A295-F316 HydrophobicContact CB-CD2 3.91Å; A295-K319 HydrophobicContact CB-CG 4.24Å |
| 296 | Y | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68 | -47.7 | 171.2 | -178.9 | -98.4 | 0 | 0 | 0 | 111.2 | L258 L261 L267 F271 I292 E294 D298 I299 I300 F316 L346 | L258-Y296 HydrophobicContact CD2-CD2 3.83Å; L258-Y296 HydrophobicContact CD2-CE2 3.8Å; L261-Y296 HydrophobicContact CB-CE2 4.23Å; L261-Y296 WeakPolarHBondContact CB-OH 3.33Å; L261-Y296 HydrophobicContact CD1-CE2 4.37Å; L261-Y296 PolarHBondContact O-OH 2.99Å; L267-Y296 HydrophobicContact CD2-CE1 4.26Å; L267-Y296 HydrophobicContact CG-CE1 4.45Å; F271-Y296 HydrophobicContact CD1-CD1 4.48Å; F271-Y296 AromaticContact CD2-CD1 3.8Å; F271-Y296 HydrophobicContact CD2-CD1 3.8Å; F271-Y296 AromaticContact CD2-CE1 3.53Å; F271-Y296 HydrophobicContact CD2-CE1 3.53Å; F271-Y296 HydrophobicContact CE1-CD1 4.18Å; F271-Y296 AromaticContact CE2-CD1 3.46Å; F271-Y296 HydrophobicContact CE2-CD1 3.46Å; F271-Y296 VanDerWaalsContact CE2-CD1 3.46Å; F271-Y296 AromaticContact CE2-CE1 3.4Å; F271-Y296 HydrophobicContact CE2-CE1 3.4Å; F271-Y296 VanDerWaalsContact CE2-CE1 3.4Å; F271-Y296 HydrophobicContact CG-CD1 4.31Å; F271-Y296 HydrophobicContact CG-CE1 4.33Å; F271-Y296 AromaticContact CZ-CD1 3.67Å; F271-Y296 HydrophobicContact CZ-CD1 3.67Å; F271-Y296 HydrophobicContact CZ-CE1 4.12Å; I292-Y296 VanDerWaalsContact O-CB 3.24Å; I292-Y296 WeakPolarHBondContact O-CB 3.39Å; I292-Y296 PolarHBondContact O-N 2.83Å; E294-Y296 VanDerWaalsContact C-N 3.33Å; E294-Y296 PolarHBondContact O-N 2.88Å; Y296-D298 VanDerWaalsContact C-N 3.29Å; Y296-D298 PolarHBondContact O-N 3.48Å; Y296-I299 WeakPolarHBondContact O-CB 3.43Å; Y296-I299 PolarHBondContact O-N 3.05Å; Y296-I300 HydrophobicContact CD1-CG1 3.97Å; Y296-I300 HydrophobicContact CE1-CD1 4.14Å; Y296-I300 HydrophobicContact CE1-CG1 3.48Å; Y296-I300 VanDerWaalsContact CE1-CG1 3.48Å; Y296-I300 HydrophobicContact CE2-CD1 4.13Å; Y296-I300 HydrophobicContact CE2-CG1 4.16Å; Y296-I300 HydrophobicContact CG-CG1 4.49Å; Y296-I300 PolarHBondContact O-N 3.35Å; Y296-F316 HydrophobicContact CD2-CE2 4.33Å; Y296-L346 HydrophobicContact CD1-CD1 4.16Å; Y296-L346 HydrophobicContact CD1-CD2 4.23Å; Y296-L346 HydrophobicContact CD2-CD1 4.34Å; Y296-L346 HydrophobicContact CE1-CD1 4.34Å; Y296-L346 HydrophobicContact CG-CD1 4.17Å; Y296-L346 HydrophobicContact CG-CD2 4.14Å |
| 297 | A | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.5 | -41.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F271 Y276 A293 E294 I299 I300 K301 | F271-A297 HydrophobicContact CD1-CB 3.49Å; F271-A297 VanDerWaalsContact CD1-CB 3.49Å; F271-A297 HydrophobicContact CE1-CB 3.92Å; F271-A297 HydrophobicContact CG-CB 4.41Å; Y276-A297 HydrophobicContact CD1-CB 4.41Å; Y276-A297 HydrophobicContact CD2-CB 4.39Å; Y276-A297 HydrophobicContact CE1-CB 3.74Å; Y276-A297 HydrophobicContact CE2-CB 3.74Å; Y276-A297 WeakPolarHBondContact OH-CB 3.26Å; A293-A297 VanDerWaalsContact O-CB 3.29Å; A293-A297 WeakPolarHBondContact O-CB 3.17Å; A293-A297 PolarHBondContact O-N 3.48Å; E294-A297 PolarHBondContact O-N 2.76Å; A297-I299 VanDerWaalsContact C-N 3.32Å; A297-I299 PolarHBondContact O-N 3.36Å; A297-I300 PolarHBondContact O-N 2.93Å; A297-K301 WeakPolarHBondContact O-CB 3.49Å; A297-K301 VanDerWaalsContact O-CG 3.3Å; A297-K301 WeakPolarHBondContact O-CG 3.38Å; A297-K301 PolarHBondContact O-N 2.87Å |
| 298 | D | 94.5 | Very high | 94.4 | Very high | 30 Ų | 30 | 19.6 Ų | 19.6 | 16% | 0.16 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62 | -36.1 | 175.6 | -82.1 | -2.1 | 0 | 0 | 0 | 112.2 | R212 W218 E294 Y296 Q302 | R212-D298 IonicContact CZ-OD1 3.3Å; R212-D298 VanDerWaalsContact CZ-OD1 3.22Å; R212-D298 IonicContact NH1-OD1 2.89Å; R212-D298 PolarHBondContact NH1-OD1 3.31Å; R212-D298 IonicContact NH2-OD1 2.79Å; R212-D298 PolarHBondContact NH2-OD1 3.3Å; W218-D298 VanDerWaalsContact NE1-CG 3.33Å; W218-D298 PolarHBondContact NE1-OD1 3.38Å; W218-D298 PolarHBondContact NE1-OD2 3.23Å; E294-D298 PolarHBondContact O-N 3.36Å; Y296-D298 VanDerWaalsContact C-N 3.29Å; Y296-D298 PolarHBondContact O-N 3.48Å; D298-Q302 WeakPolarHBondContact O-CG 3.47Å; D298-Q302 PolarHBondContact O-N 3.16Å; D298-Q302 PolarHBondContact O-NE2 3.3Å |
| 299 | I | 95.9 | Very high | 94.3 | Very high | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.7 | -51.4 | 173.4 | -75.3 | 178.3 | 0 | 0 | 0 | 111.1 | L245 L258 A295 Y296 A297 K301 Q302 M303 P313 F316 | L245-I299 HydrophobicContact CD2-CG2 4.34Å; L258-I299 HydrophobicContact CD1-CD1 4.14Å; A295-I299 PolarHBondContact O-N 3.27Å; Y296-I299 WeakPolarHBondContact O-CB 3.43Å; Y296-I299 PolarHBondContact O-N 3.05Å; A297-I299 VanDerWaalsContact C-N 3.32Å; A297-I299 PolarHBondContact O-N 3.36Å; I299-K301 VanDerWaalsContact C-N 3.28Å; I299-K301 PolarHBondContact O-N 2.93Å; I299-Q302 PolarHBondContact O-N 3.46Å; I299-Q302 VanDerWaalsContact O-N 3.08Å; I299-M303 HydrophobicContact CG2-CG 4.14Å; I299-M303 HydrophobicContact CG2-SD 3.51Å; I299-M303 VanDerWaalsContact CG2-SD 3.51Å; I299-M303 WeakPolarHBondContact O-CG 3.48Å; I299-M303 PolarHBondContact O-N 2.84Å; I299-P313 HydrophobicContact CD1-CB 3.6Å; I299-F316 HydrophobicContact CD1-CB 3.39Å; I299-F316 HydrophobicContact CD1-CD1 4.02Å; I299-F316 HydrophobicContact CD1-CD2 4.18Å; I299-F316 HydrophobicContact CD1-CG 3.62Å; I299-F316 HydrophobicContact CG1-CB 4.41Å |
| 300 | I | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.9 | -42.9 | -177.8 | -65.1 | -53 | 0 | 0 | 0 | 111.1 | S262 T268 F271 L272 Y296 A297 Q302 M303 W304 | S262-I300 WeakPolarHBondContact OG-CD1 3.4Å; T268-I300 HydrophobicContact CG2-CG2 4.05Å; F271-I300 HydrophobicContact CB-CG2 4.23Å; L272-I300 HydrophobicContact CD2-CG2 4.19Å; L272-I300 HydrophobicContact CG-CG2 4.26Å; Y296-I300 HydrophobicContact CD1-CG1 3.97Å; Y296-I300 HydrophobicContact CE1-CD1 4.14Å; Y296-I300 HydrophobicContact CE1-CG1 3.48Å; Y296-I300 VanDerWaalsContact CE1-CG1 3.48Å; Y296-I300 HydrophobicContact CE2-CD1 4.13Å; Y296-I300 HydrophobicContact CE2-CG1 4.16Å; Y296-I300 HydrophobicContact CG-CG1 4.49Å; Y296-I300 PolarHBondContact O-N 3.35Å; A297-I300 PolarHBondContact O-N 2.93Å; I300-Q302 VanDerWaalsContact C-N 3.32Å; I300-Q302 PolarHBondContact O-N 3.09Å; I300-M303 PolarHBondContact O-N 3Å; I300-W304 WeakPolarHBondContact O-CB 3.29Å; I300-W304 PolarHBondContact O-N 3.03Å |
| 301 | K | 95.8 | Very high | 94.7 | Very high | 11 Ų | 11 | 19.4 Ų | 19.4 | 5% | 0.048 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.9 | -31.4 | 178.2 | -73 | 171.2 | 178.9 | -173.5 | 0 | 113.6 | E174 F271 L272 S274 Y276 A297 I299 S305 | E174-K301 WeakPolarHBondContact OE1-CD 3.44Å; E174-K301 WeakPolarHBondContact OE1-CE 3.45Å; E174-K301 IonicContact OE1-NZ 2.63Å; E174-K301 PolarHBondContact OE1-NZ 2.61Å; E174-K301 IonicContact OE2-NZ 3.69Å; E174-K301 PolarHBondContact OE2-NZ 3.2Å; F271-K301 WeakPolarHBondContact O-CE 3.48Å; F271-K301 PolarHBondContact O-NZ 2.8Å; L272-K301 HydrophobicContact CD2-CG 3.99Å; S274-K301 PolarHBondContact OG-NZ 2.81Å; Y276-K301 VanDerWaalsContact CE1-NZ 3.3Å; Y276-K301 PolarHBondContact OH-NZ 3.47Å; A297-K301 WeakPolarHBondContact O-CB 3.49Å; A297-K301 VanDerWaalsContact O-CG 3.3Å; A297-K301 WeakPolarHBondContact O-CG 3.38Å; A297-K301 PolarHBondContact O-N 2.87Å; I299-K301 VanDerWaalsContact C-N 3.28Å; I299-K301 PolarHBondContact O-N 2.93Å; K301-S305 WeakPolarHBondContact O-CB 3.42Å; K301-S305 PolarHBondContact O-N 3.41Å |
| 302 | Q | 94.8 | Very high | 94.7 | Very high | 42 Ų | 42 | 21.6 Ų | 21.6 | 20% | 0.196 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -72.8 | -49.6 | 171.6 | -72 | 168.5 | 87.1 | 0 | 0 | 111.2 | T217 D298 I299 I300 W304 S305 H308 V311 | T217-Q302 HydrophobicContact CG2-CG 4.1Å; D298-Q302 WeakPolarHBondContact O-CG 3.47Å; D298-Q302 PolarHBondContact O-N 3.16Å; D298-Q302 PolarHBondContact O-NE2 3.3Å; I299-Q302 PolarHBondContact O-N 3.46Å; I299-Q302 VanDerWaalsContact O-N 3.08Å; I300-Q302 VanDerWaalsContact C-N 3.32Å; I300-Q302 PolarHBondContact O-N 3.09Å; Q302-W304 VanDerWaalsContact C-N 3.3Å; Q302-W304 PolarHBondContact O-N 3.01Å; Q302-S305 WeakPolarHBondContact O-CB 3.11Å; Q302-S305 PolarHBondContact O-N 2.85Å; Q302-S305 VanDerWaalsContact O-N 3.16Å; Q302-S305 PolarHBondContact O-OG 3.49Å; Q302-H308 PolarHBondContact O-CD2 3.23Å; Q302-V311 HydrophobicContact CB-CG1 4.3Å; Q302-V311 HydrophobicContact CB-CG2 3.6Å |
| 303 | M | 96.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.5 | -36.1 | -179 | -66.8 | 175.7 | 78.7 | 0 | 0 | 113.3 | G241 C243 L245 Q259 I299 I300 V311 | G241-M303 PolarHBondContact N-O 2.92Å; C243-M303 HydrophobicContact CB-CB 4.07Å; C243-M303 HydrophobicContact CB-CG 4.28Å; L245-M303 HydrophobicContact CD1-CE 4.2Å; L245-M303 HydrophobicContact CD1-SD 4.36Å; L245-M303 HydrophobicContact CD2-CE 4.44Å; L245-M303 HydrophobicContact CD2-CG 4.5Å; L245-M303 HydrophobicContact CD2-SD 4.05Å; L245-M303 HydrophobicContact CG-CE 4.17Å; L245-M303 HydrophobicContact CG-SD 4.38Å; Q259-M303 VanDerWaalsContact CD-CE 3.5Å; I299-M303 HydrophobicContact CG2-CG 4.14Å; I299-M303 HydrophobicContact CG2-SD 3.51Å; I299-M303 VanDerWaalsContact CG2-SD 3.51Å; I299-M303 WeakPolarHBondContact O-CG 3.48Å; I299-M303 PolarHBondContact O-N 2.84Å; I300-M303 PolarHBondContact O-N 3Å; M303-V311 HydrophobicContact CG-CG2 4.25Å |
| 304 | W | 96.6 | Very high | 94.4 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 6% | 0.064 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 7.3 | 179.6 | -68.2 | 85.6 | 0 | 0 | 0 | 113.9 | P240 G241 S262 T268 L272 I300 Q302 G306 N939 K940 D941 | P240-W304 HydrophobicContact CB-CE3 3.74Å; P240-W304 HydrophobicContact CB-CZ3 4.35Å; P240-W304 WeakPolarHBondContact CB-O 3.49Å; P240-W304 WeakPolarHBondContact O-CZ3 3.49Å; G241-W304 VanDerWaalsContact CA-CE2 3.48Å; S262-W304 VanDerWaalsContact O-CZ2 3.32Å; S262-W304 WeakPolarHBondContact O-CZ2 3.49Å; S262-W304 PolarHBondContact O-NE1 2.99Å; S262-W304 PolarHBondContact OG-NE1 3Å; T268-W304 HydrophobicContact CG2-CD2 3.97Å; T268-W304 HydrophobicContact CG2-CG 4.11Å; T268-W304 HydrophobicContact CG2-CZ2 4.27Å; L272-W304 HydrophobicContact CD1-CB 3.79Å; L272-W304 HydrophobicContact CD1-CD2 4.44Å; L272-W304 HydrophobicContact CD1-CG 4.04Å; L272-W304 HydrophobicContact CD2-CB 3.89Å; L272-W304 HydrophobicContact CG-CB 4.44Å; I300-W304 WeakPolarHBondContact O-CB 3.29Å; I300-W304 PolarHBondContact O-N 3.03Å; Q302-W304 VanDerWaalsContact C-N 3.3Å; Q302-W304 PolarHBondContact O-N 3.01Å; W304-G306 VanDerWaalsContact C-N 3.27Å; W304-G306 PolarHBondContact O-N 3.18Å; W304-N939 WeakPolarHBondContact CH2-ND2 3.39Å; W304-K940 HydrophobicContact CH2-CD 4.01Å; W304-K940 HydrophobicContact CH2-CG 3.79Å; W304-K940 HydrophobicContact CZ3-CD 4.16Å; W304-K940 HydrophobicContact CZ3-CG 3.94Å; W304-D941 WeakPolarHBondContact CZ3-OD2 3.35Å |
| 305 | S | 93.8 | Very high | 94.3 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 22% | 0.224 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -70 | -21.8 | 172 | 68.3 | 0 | 0 | 0 | 0 | 114 | D215 K301 Q302 R307 | D215-S305 WeakPolarHBondContact O-CB 3.49Å; D215-S305 PolarHBondContact O-OG 2.83Å; K301-S305 WeakPolarHBondContact O-CB 3.42Å; K301-S305 PolarHBondContact O-N 3.41Å; Q302-S305 WeakPolarHBondContact O-CB 3.11Å; Q302-S305 PolarHBondContact O-N 2.85Å; Q302-S305 VanDerWaalsContact O-N 3.16Å; Q302-S305 PolarHBondContact O-OG 3.49Å; S305-R307 PolarHBondContact O-N 3.34Å; S305-R307 PolarHBondContact OG-N 2.66Å |
| 306 | G | 92.9 | Very high | 94.3 | Very high | 7 Ų | 7 | 33 Ų | 33 | 7% | 0.072 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 68.6 | 9.5 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R237 G238 W304 | R237-G306 CarbonylContact C-O 3.54Å; R237-G306 WeakPolarHBondContact CA-O 3.49Å; G238-G306 PolarHBondContact N-O 2.98Å; G238-G306 WeakPolarHBondContact O-CA 3.49Å; W304-G306 VanDerWaalsContact C-N 3.27Å; W304-G306 PolarHBondContact O-N 3.18Å |
| 307 | R | 91.3 | Very high | 94.1 | Very high | 52 Ų | 52 | 34.1 Ų | 34.1 | 20% | 0.196 | 16% | 0.162 | C | C | . | . | trans | -107.3 | -9.8 | -177.2 | -57.1 | -151.9 | -160 | -169 | -1.2 | 115.8 | A214 D215 D234 Y236 S305 | A214-R307 VanDerWaalsContact O-CZ 3.3Å; A214-R307 PolarHBondContact O-NE 3.07Å; A214-R307 PolarHBondContact O-NH2 2.84Å; D215-R307 HydrophobicContact CB-CB 3.98Å; D215-R307 HydrophobicContact CB-CG 4.27Å; D234-R307 IonicContact OD1-NH1 3.54Å; D234-R307 PolarHBondContact OD1-NH1 2.8Å; Y236-R307 WeakPolarHBondContact CD1-O 3.44Å; S305-R307 PolarHBondContact O-N 3.34Å; S305-R307 PolarHBondContact OG-N 2.66Å | ||
| 308 | H | 89.8 | Confident | 94 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 10% | 0.102 | 19% | 0.191 | C | C | . | . | trans | -113.9 | 135.9 | 177.5 | -57.1 | -71.2 | 0 | 0 | 0 | 110.5 | D215 C243 Q302 V311 | D215-H308 PolarHBondContact O-CD2 3.27Å; D215-H308 PolarHBondContact O-NE2 2.93Å; D215-H308 IonicContact OD2-CE1 3.36Å; D215-H308 IonicContact OD2-NE2 2.79Å; C243-H308 PolarHBondContact SG-O 2.89Å; Q302-H308 PolarHBondContact O-CD2 3.23Å; H308-V311 HydrophobicContact CB-CG2 3.96Å | ||
| 309 | Y | 91.1 | Very high | 93.9 | Very high | 131 Ų | 131 | 40.1 Ų | 40.1 | 51% | 0.514 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -78.5 | -32.3 | 168.1 | 69.5 | -89.9 | 0 | 0 | 0 | 111.4 | G244 | G244-Y309 PolarHBondContact N-O 3.15Š|
| 310 | S | 94 | Very high | 93.9 | Very high | 7 Ų | 7 | 40 Ų | 40 | 5% | 0.049 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 137 | 175 | -176.4 | 0 | 0 | 0 | 0 | 110 | G244 L245 T246 S951 | G244-S310 VanDerWaalsContact C-OG 3.31Å; G244-S310 CarbonylContact O-C 3.46Å; G244-S310 VanDerWaalsContact O-CA 3.3Å; G244-S310 WeakPolarHBondContact O-CA 3.3Å; G244-S310 PolarHBondContact O-OG 2.83Å; L245-S310 PolarHBondContact N-OG 2.93Å; T246-S310 PolarHBondContact N-OG 3.46Å; T246-S310 PolarHBondContact OG1-OG 3.13Å; S310-S951 WeakPolarHBondContact OG-CA 3.5Å; S310-S951 WeakPolarHBondContact OG-CB 3.43Å |
| 311 | V | 94 | Very high | 93.7 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 151.6 | 176 | 172 | 0 | 0 | 0 | 0 | 109.9 | G244 L245 T246 Q302 M303 H308 P313 | G244-V311 PolarHBondContact O-N 3.16Å; L245-V311 WeakPolarHBondContact CA-O 3.46Å; L245-V311 HydrophobicContact CD2-CB 4.04Å; L245-V311 HydrophobicContact CD2-CG1 4.4Å; T246-V311 PolarHBondContact N-O 3.4Å; Q302-V311 HydrophobicContact CB-CG1 4.3Å; Q302-V311 HydrophobicContact CB-CG2 3.6Å; M303-V311 HydrophobicContact CG-CG2 4.25Å; H308-V311 HydrophobicContact CB-CG2 3.96Å; V311-P313 WeakPolarHBondContact O-CD 3.31Å |
| 312 | V | 94.7 | Very high | 93.5 | Very high | 66 Ų | 66 | 45.8 Ų | 45.8 | 40% | 0.4 | 22% | 0.223 | S | C | . | . | trans | -109.3 | 98.3 | -179.6 | -172 | 0 | 0 | 0 | 0 | 109.3 | L248 R314 | L248-V312 HydrophobicContact CD2-CG1 3.89Å; V312-R314 HydrophobicContact CG1-CG 3.99Å; V312-R314 PolarHBondContact O-N 3.5Å | ||
| 313 | P | 94 | Very high | 93.4 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | trans | -76.7 | 37 | -165.9 | 32.3 | -38.2 | 0 | 0 | 0 | 115.1 | L245 L248 M254 I299 V311 V315 F316 K317 | L245-P313 HydrophobicContact CD2-CG 4.47Å; L248-P313 HydrophobicContact CD1-CG 4.28Å; M254-P313 HydrophobicContact CE-CB 3.95Å; M254-P313 HydrophobicContact CE-CG 3.58Å; I299-P313 HydrophobicContact CD1-CB 3.6Å; V311-P313 WeakPolarHBondContact O-CD 3.31Å; P313-V315 PolarHBondContact O-N 3.12Å; P313-F316 PolarHBondContact O-N 3.33Å; P313-K317 WeakPolarHBondContact O-CB 3.34Å; P313-K317 PolarHBondContact O-N 3.01Å | ||
| 314 | R | 92.2 | Very high | 93.2 | Very high | 165 Ų | 165 | 47.2 Ų | 47.2 | 62% | 0.623 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -58 | -50.9 | -174.7 | -82.1 | 170.2 | -175.7 | -172.6 | 1.2 | 113.5 | L248 V312 F316 K317 T318 | L248-R314 HydrophobicContact CD1-CB 4.45Å; L248-R314 HydrophobicContact CD1-CG 3.85Å; L248-R314 HydrophobicContact CD2-CG 3.87Å; V312-R314 HydrophobicContact CG1-CG 3.99Å; V312-R314 PolarHBondContact O-N 3.5Å; R314-F316 VanDerWaalsContact C-N 3.31Å; R314-F316 PolarHBondContact O-N 3.19Å; R314-K317 PolarHBondContact O-N 3.02Å; R314-T318 PolarHBondContact O-N 3.13Å; R314-T318 PolarHBondContact O-OG1 2.89Å |
| 315 | V | 91.7 | Very high | 92.9 | Very high | 95 Ų | 95 | 50.9 Ų | 50.9 | 58% | 0.576 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59.2 | -46 | -178.1 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | P313 T318 K319 | P313-V315 PolarHBondContact O-N 3.12Å; V315-T318 PolarHBondContact O-N 2.84Å; V315-K319 WeakPolarHBondContact O-CG 3.46Å; V315-K319 PolarHBondContact O-N 2.92Å |
| 316 | F | 94.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 176.7 | -175.3 | -100.4 | 0 | 0 | 0 | 112.3 | M254 L258 A295 Y296 I299 P313 R314 T318 K319 V320 L342 | M254-F316 HydrophobicContact CG-CD1 4.42Å; M254-F316 HydrophobicContact CG-CE1 4.12Å; M254-F316 HydrophobicContact SD-CD1 3.8Å; M254-F316 HydrophobicContact SD-CE1 4.04Å; L258-F316 HydrophobicContact CD1-CD1 4.01Å; L258-F316 HydrophobicContact CD1-CE1 3.84Å; L258-F316 HydrophobicContact CD2-CE1 3.81Å; L258-F316 HydrophobicContact CD2-CZ 3.79Å; L258-F316 HydrophobicContact CG-CE1 4.12Å; A295-F316 HydrophobicContact CB-CB 4.43Å; A295-F316 HydrophobicContact CB-CD2 3.91Å; Y296-F316 HydrophobicContact CD2-CE2 4.33Å; I299-F316 HydrophobicContact CD1-CB 3.39Å; I299-F316 HydrophobicContact CD1-CD1 4.02Å; I299-F316 HydrophobicContact CD1-CD2 4.18Å; I299-F316 HydrophobicContact CD1-CG 3.62Å; I299-F316 HydrophobicContact CG1-CB 4.41Å; P313-F316 PolarHBondContact O-N 3.33Å; R314-F316 VanDerWaalsContact C-N 3.31Å; R314-F316 PolarHBondContact O-N 3.19Å; F316-T318 VanDerWaalsContact C-N 3.26Å; F316-T318 PolarHBondContact O-N 3.15Å; F316-K319 PolarHBondContact O-N 3.21Å; F316-V320 HydrophobicContact CD1-CG2 3.91Å; F316-V320 HydrophobicContact CD2-CG2 4.44Å; F316-V320 HydrophobicContact CE1-CG2 3.62Å; F316-V320 HydrophobicContact CE2-CG2 4.18Å; F316-V320 HydrophobicContact CG-CG2 4.32Å; F316-V320 HydrophobicContact CZ-CG2 3.78Å; F316-V320 WeakPolarHBondContact O-CG2 3.45Å; F316-V320 PolarHBondContact O-N 3.33Å; F316-L342 HydrophobicContact CE1-CD1 4.29Å; F316-L342 HydrophobicContact CE1-CD2 4.33Å; F316-L342 HydrophobicContact CE2-CD2 4.22Å; F316-L342 HydrophobicContact CZ-CD1 3.85Å; F316-L342 HydrophobicContact CZ-CD2 3.5Å; F316-L342 HydrophobicContact CZ-CG 4.34Å |
| 317 | K | 94.4 | Very high | 92.5 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 10% | 0.104 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.9 | -40.3 | 175.7 | -161 | -89.2 | 178.6 | 174 | 0 | 111.9 | L248 T251 M254 P313 R314 G321 L328 G329 | L248-K317 HydrophobicContact CD1-CB 3.96Å; L248-K317 HydrophobicContact CD1-CG 4.25Å; T251-K317 HydrophobicContact CG2-CG 4.39Å; M254-K317 HydrophobicContact CE-CB 4.21Å; M254-K317 HydrophobicContact CE-CG 4.31Å; M254-K317 HydrophobicContact SD-CB 4.22Å; M254-K317 HydrophobicContact SD-CG 4.22Å; P313-K317 WeakPolarHBondContact O-CB 3.34Å; P313-K317 PolarHBondContact O-N 3.01Å; R314-K317 PolarHBondContact O-N 3.02Å; K317-G321 PolarHBondContact O-N 3.41Å; K317-L328 PolarHBondContact NZ-O 3.37Å; K317-G329 PolarHBondContact NZ-O 3.29Å |
| 318 | T | 93.4 | Very high | 92.3 | Very high | 97 Ų | 97 | 56.5 Ų | 56.5 | 60% | 0.595 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -66.9 | -37.8 | 174.5 | -60.3 | 0 | 0 | 0 | 0 | 112.7 | R314 V315 F316 H322 | R314-T318 PolarHBondContact O-N 3.13Å; R314-T318 PolarHBondContact O-OG1 2.89Å; V315-T318 PolarHBondContact O-N 2.84Å; F316-T318 VanDerWaalsContact C-N 3.26Å; F316-T318 PolarHBondContact O-N 3.15Å; T318-H322 WeakPolarHBondContact O-CB 3.28Å; T318-H322 PolarHBondContact O-N 2.93Å; T318-H322 VanDerWaalsContact O-N 3.14Å |
| 319 | K | 93.9 | Very high | 91.9 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 26% | 0.261 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.3 | -47 | 175.9 | -66.4 | -54 | -175 | -179.5 | 0 | 112.5 | E291 I292 A295 V315 F316 G321 H322 F323 | E291-K319 HydrophobicContact CB-CD 4.39Å; E291-K319 WeakPolarHBondContact OE2-CD 3.4Å; E291-K319 WeakPolarHBondContact OE2-CE 3.44Å; E291-K319 IonicContact OE2-NZ 3.71Å; E291-K319 PolarHBondContact OE2-NZ 2.97Å; I292-K319 HydrophobicContact CD1-CB 4.05Å; A295-K319 HydrophobicContact CB-CG 4.24Å; V315-K319 WeakPolarHBondContact O-CG 3.46Å; V315-K319 PolarHBondContact O-N 2.92Å; F316-K319 PolarHBondContact O-N 3.21Å; K319-G321 PolarHBondContact O-N 2.84Å; K319-H322 WeakPolarHBondContact O-CB 3.33Å; K319-H322 PolarHBondContact O-N 2.8Å; K319-F323 VanDerWaalsContact O-CD2 3.29Å; K319-F323 WeakPolarHBondContact O-CD2 3.42Å; K319-F323 PolarHBondContact O-N 2.7Å |
| 320 | V | 94.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.9 | -51.2 | 174.5 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | I292 F316 H322 F323 A324 F327 L338 F341 L342 | I292-V320 HydrophobicContact CD1-CG2 4.23Å; F316-V320 HydrophobicContact CD1-CG2 3.91Å; F316-V320 HydrophobicContact CD2-CG2 4.44Å; F316-V320 HydrophobicContact CE1-CG2 3.62Å; F316-V320 HydrophobicContact CE2-CG2 4.18Å; F316-V320 HydrophobicContact CG-CG2 4.32Å; F316-V320 HydrophobicContact CZ-CG2 3.78Å; F316-V320 WeakPolarHBondContact O-CG2 3.45Å; F316-V320 PolarHBondContact O-N 3.33Å; V320-H322 PolarHBondContact O-N 2.86Å; V320-F323 PolarHBondContact O-N 2.95Å; V320-A324 PolarHBondContact O-N 2.91Å; V320-F327 HydrophobicContact CG1-CB 3.89Å; V320-F327 HydrophobicContact CG1-CD2 3.7Å; V320-F327 HydrophobicContact CG1-CG 4.13Å; V320-L338 HydrophobicContact CG1-CD1 3.7Å; V320-F341 HydrophobicContact CB-CE1 4.44Å; V320-F341 HydrophobicContact CG1-CD1 4.34Å; V320-F341 HydrophobicContact CG1-CE1 4Å; V320-F341 HydrophobicContact CG2-CE1 4.34Å; V320-L342 HydrophobicContact CG2-CD2 4.08Å |
| 321 | G | 92.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 65.1 Ų | 65.1 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.2 | -16.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K317 K319 L328 | K317-G321 PolarHBondContact O-N 3.41Å; K319-G321 PolarHBondContact O-N 2.84Å; G321-L328 WeakPolarHBondContact O-CD1 3.4Å |
| 322 | H | 92.8 | Very high | 90.3 | Very high | 129 Ų | 129 | 66.3 Ų | 66.3 | 60% | 0.597 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -80 | -39.6 | 175.2 | 178.9 | 49.2 | 0 | 0 | 0 | 112.3 | T318 K319 V320 | T318-H322 WeakPolarHBondContact O-CB 3.28Å; T318-H322 PolarHBondContact O-N 2.93Å; T318-H322 VanDerWaalsContact O-N 3.14Å; K319-H322 WeakPolarHBondContact O-CB 3.33Å; K319-H322 PolarHBondContact O-N 2.8Å; V320-H322 PolarHBondContact O-N 2.86Å |
| 323 | F | 93.2 | Very high | 90 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 30% | 0.298 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -92.7 | -31.5 | -178.8 | -66.7 | -72.8 | 0 | 0 | 0 | 113.4 | M288 E291 I292 K319 V320 F341 | M288-F323 HydrophobicContact CB-CD1 3.95Å; M288-F323 HydrophobicContact CB-CD2 3.87Å; M288-F323 HydrophobicContact CB-CE1 3.88Å; M288-F323 HydrophobicContact CB-CE2 3.82Å; M288-F323 HydrophobicContact CB-CG 3.95Å; M288-F323 HydrophobicContact CB-CZ 3.83Å; M288-F323 HydrophobicContact CG-CB 3.92Å; M288-F323 HydrophobicContact CG-CD1 3.72Å; M288-F323 HydrophobicContact CG-CD2 3.89Å; M288-F323 HydrophobicContact CG-CE1 4.19Å; M288-F323 HydrophobicContact CG-CE2 4.35Å; M288-F323 HydrophobicContact CG-CG 3.56Å; M288-F323 HydrophobicContact CG-CZ 4.49Å; E291-F323 HydrophobicContact CB-CE2 3.84Å; E291-F323 HydrophobicContact CB-CZ 4.22Å; E291-F323 HydrophobicContact CG-CE2 4.47Å; E291-F323 HydrophobicContact CG-CZ 4.42Å; I292-F323 HydrophobicContact CD1-CD2 4.09Å; I292-F323 HydrophobicContact CG1-CD2 4.19Å; K319-F323 VanDerWaalsContact O-CD2 3.29Å; K319-F323 WeakPolarHBondContact O-CD2 3.42Å; K319-F323 PolarHBondContact O-N 2.7Å; V320-F323 PolarHBondContact O-N 2.95Å; F323-F341 HydrophobicContact CB-CE2 4.5Å; F323-F341 HydrophobicContact CB-CZ 4.07Å |
| 324 | A | 91.8 | Very high | 89.8 | Confident | 5 Ų | 5 | 65.4 Ų | 65.4 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -119.8 | 92.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | V320 Q326 F327 F341 | V320-A324 PolarHBondContact O-N 2.91Å; A324-Q326 PolarHBondContact O-N 3.44Å; A324-Q326 VanDerWaalsContact O-N 3.13Å; A324-F327 HydrophobicContact CB-CD2 3.6Å; A324-F327 HydrophobicContact CB-CE2 3.9Å; A324-F327 PolarHBondContact O-N 3.1Å; A324-F341 HydrophobicContact CB-CD1 4.26Å; A324-F341 HydrophobicContact CB-CD2 3.78Å; A324-F341 HydrophobicContact CB-CE1 4.07Å; A324-F341 HydrophobicContact CB-CE2 3.56Å; A324-F341 HydrophobicContact CB-CG 4.14Å; A324-F341 HydrophobicContact CB-CZ 3.72Å |
| 325 | S | 90.2 | Very high | 89.8 | Confident | 94 Ų | 94 | 57.7 Ų | 57.7 | 66% | 0.657 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -63.6 | -20.1 | -170.7 | 59.4 | 0 | 0 | 0 | 0 | 114 | F327 L328 | S325-F327 PolarHBondContact O-N 3.39Å; S325-L328 VanDerWaalsContact O-CB 3.27Å; S325-L328 WeakPolarHBondContact O-CB 3.5Å; S325-L328 PolarHBondContact O-N 3.32Å |
| 326 | Q | 88.4 | Confident | 89.9 | Confident | 91 Ų | 91 | 54.6 Ų | 54.6 | 43% | 0.425 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -58.9 | -35.9 | 172.5 | 64.9 | -98 | 58.4 | 0 | 0 | 112.1 | A324 L328 H333 E337 | A324-Q326 PolarHBondContact O-N 3.44Å; A324-Q326 VanDerWaalsContact O-N 3.13Å; Q326-L328 VanDerWaalsContact C-N 3.33Å; Q326-L328 PolarHBondContact O-N 3.43Å; Q326-H333 PolarHBondContact O-CE1 3.34Å; Q326-H333 PolarHBondContact O-NE2 2.91Å; Q326-E337 WeakPolarHBondContact CG-OE1 3.45Å; Q326-E337 PolarHBondContact NE2-OE1 2.88Å |
| 327 | F | 90.1 | Very high | 89.8 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -88.3 | 5.3 | -177.2 | -52 | -54.7 | 0 | 0 | 0 | 113.8 | F253 V320 A324 S325 G329 H333 E337 L338 F341 | F253-F327 AromaticContact CE2-CD1 3.84Å; F253-F327 HydrophobicContact CE2-CD1 3.84Å; F253-F327 HydrophobicContact CE2-CE1 4.16Å; F253-F327 HydrophobicContact CZ-CD1 4.08Å; V320-F327 HydrophobicContact CG1-CB 3.89Å; V320-F327 HydrophobicContact CG1-CD2 3.7Å; V320-F327 HydrophobicContact CG1-CG 4.13Å; A324-F327 HydrophobicContact CB-CD2 3.6Å; A324-F327 HydrophobicContact CB-CE2 3.9Å; A324-F327 PolarHBondContact O-N 3.1Å; S325-F327 PolarHBondContact O-N 3.39Å; F327-G329 VanDerWaalsContact C-N 3.3Å; F327-G329 PolarHBondContact O-N 3.04Å; F327-H333 HydrophobicContact CD1-CB 4.15Å; F327-H333 AromaticContact CD1-CG 3.81Å; F327-H333 AromaticContact CD1-ND1 3.81Å; F327-H333 HydrophobicContact CE1-CB 4.1Å; F327-E337 HydrophobicContact CZ-CB 4.39Å; F327-E337 HydrophobicContact CZ-CG 3.97Å; F327-L338 HydrophobicContact CD2-CD1 3.89Å; F327-L338 HydrophobicContact CE1-CB 4.22Å; F327-L338 HydrophobicContact CE2-CB 4.43Å; F327-L338 HydrophobicContact CE2-CD1 3.81Å; F327-L338 HydrophobicContact CG-CD1 4.33Å; F327-L338 HydrophobicContact CZ-CB 3.97Å; F327-L338 HydrophobicContact CZ-CD1 4.18Å; F327-F341 HydrophobicContact CE2-CB 4.21Å; F327-F341 HydrophobicContact CE2-CD1 4.3Å; F327-F341 HydrophobicContact CE2-CG 4.27Å |
| 328 | L | 86.3 | Confident | 89.8 | Confident | 113 Ų | 113 | 57 Ų | 57 | 59% | 0.592 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -62.4 | -37.3 | 179.5 | -173.1 | 79.1 | 0 | 0 | 0 | 112.1 | K317 G321 S325 Q326 | K317-L328 PolarHBondContact NZ-O 3.37Å; G321-L328 WeakPolarHBondContact O-CD1 3.4Å; S325-L328 VanDerWaalsContact O-CB 3.27Å; S325-L328 WeakPolarHBondContact O-CB 3.5Å; S325-L328 PolarHBondContact O-N 3.32Å; Q326-L328 VanDerWaalsContact C-N 3.33Å; Q326-L328 PolarHBondContact O-N 3.43Å |
| 329 | G | 81.9 | Confident | 89.9 | Confident | 34 Ų | 34 | 52.6 Ų | 52.6 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -77 | -158.4 | -170 | 0 | 0 | 0 | 0 | 0 | 115.9 | K317 F327 | K317-G329 PolarHBondContact NZ-O 3.29Å; F327-G329 VanDerWaalsContact C-N 3.3Å; F327-G329 PolarHBondContact O-N 3.04Å |
| 330 | Y | 81.4 | Confident | 90 | Very high | 158 Ų | 158 | 51.4 Ų | 51.4 | 62% | 0.62 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -128.3 | 34.2 | 176.5 | -55 | -82.3 | 0 | 0 | 0 | 110.7 | L248 N250 | L248-Y330 WeakPolarHBondContact O-CD1 3.36Å; L248-Y330 WeakPolarHBondContact O-CE1 3.19Å; N250-Y330 PolarHBondContact ND2-O 2.89Å |
| 331 | Q | 82.3 | Confident | 90 | Very high | 148 Ų | 148 | 52.9 Ų | 52.9 | 69% | 0.692 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -89.7 | 164.3 | 174.5 | -60.1 | -172.8 | 19.5 | 0 | 0 | 109.3 | H333 | Q331-H333 PolarHBondContact O-CD2 2.81Š|
| 332 | Q | 81.4 | Confident | 90.2 | Very high | 29 Ų | 29 | 52.8 Ų | 52.8 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | trans | -75.4 | 141 | 167.6 | -73.2 | -68.2 | -6.9 | 0 | 0 | 109.7 | N250 G931 | N250-Q332 HydrophobicContact CB-CG 4.16Å; N250-Q332 PolarHBondContact OD1-NE2 3Å; N250-Q332 VanDerWaalsContact OD1-NE2 3.12Å; Q332-G931 VanDerWaalsContact CD-O 3.27Å; Q332-G931 PolarHBondContact NE2-O 2.84Å | ||
| 333 | H | 88.3 | Confident | 90.4 | Very high | 27 Ų | 27 | 46.7 Ų | 46.7 | 13% | 0.125 | 24% | 0.24 | C | C | . | . | trans | -131.1 | 168.7 | -177.8 | -68.7 | -84 | 0 | 0 | 0 | 111 | F253 Q326 F327 Q331 Y933 | F253-H333 HydrophobicContact CD1-CB 4.01Å; F253-H333 HydrophobicContact CD2-CB 3.81Å; F253-H333 HydrophobicContact CE1-CB 3.89Å; F253-H333 AromaticContact CE1-CD2 3.72Å; F253-H333 HydrophobicContact CE2-CB 3.67Å; F253-H333 HydrophobicContact CG-CB 3.99Å; F253-H333 HydrophobicContact CZ-CB 3.73Å; F253-H333 AromaticContact CZ-CD2 3.67Å; F253-H333 AromaticContact CZ-CG 3.94Å; Q326-H333 PolarHBondContact O-CE1 3.34Å; Q326-H333 PolarHBondContact O-NE2 2.91Å; F327-H333 HydrophobicContact CD1-CB 4.15Å; F327-H333 AromaticContact CD1-CG 3.81Å; F327-H333 AromaticContact CD1-ND1 3.81Å; F327-H333 HydrophobicContact CE1-CB 4.1Å; Q331-H333 PolarHBondContact O-CD2 2.81Å; H333-Y933 VanDerWaalsContact O-CE2 3.24Å; H333-Y933 WeakPolarHBondContact O-CE2 3.46Å; H333-Y933 PolarHBondContact O-OH 2.96Å; H333-Y933 VanDerWaalsContact O-OH 3.06Å | ||
| 334 | D | 90 | Very high | 90.6 | Very high | 23 Ų | 23 | 47.6 Ų | 47.6 | 12% | 0.123 | 25% | 0.247 | C | C | . | . | trans | -79.5 | 125.6 | 174.3 | -163.5 | -43.1 | 0 | 0 | 0 | 110.4 | Q336 E337 L338 Y933 Y967 | D334-Q336 PolarHBondContact O-N 3.14Å; D334-Q336 WeakPolarHBondContact OD1-CA 3.49Å; D334-Q336 VanDerWaalsContact OD1-CB 3.28Å; D334-Q336 WeakPolarHBondContact OD1-CB 3.43Å; D334-Q336 PolarHBondContact OD1-N 2.99Å; D334-E337 HydrophobicContact CB-CB 3.91Å; D334-E337 PolarHBondContact O-N 3.38Å; D334-L338 PolarHBondContact O-N 2.71Å; D334-Y933 WeakPolarHBondContact CA-OH 3.29Å; D334-Y967 PolarHBondContact OD1-OH 3.21Å; D334-Y967 PolarHBondContact OD2-OH 3.33Å; D334-Y967 VanDerWaalsContact OD2-OH 3.09Å | ||
| 335 | S | 92.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.3 | -25.6 | 176.7 | 66.4 | 0 | 0 | 0 | 0 | 112.6 | L339 Y933 | S335-L339 WeakPolarHBondContact O-CB 3.47Å; S335-L339 PolarHBondContact O-N 3.21Å; S335-Y933 PolarHBondContact N-OH 3.42Å; S335-Y933 WeakPolarHBondContact OG-CE1 3.1Å |
| 336 | Q | 93.4 | Very high | 91.2 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -75 | -39.6 | 175.4 | -171.7 | -92.9 | -81.1 | 0 | 0 | 111.9 | D334 L338 L339 S340 Y417 H871 Y967 V968 | D334-Q336 PolarHBondContact O-N 3.14Å; D334-Q336 WeakPolarHBondContact OD1-CA 3.49Å; D334-Q336 VanDerWaalsContact OD1-CB 3.28Å; D334-Q336 WeakPolarHBondContact OD1-CB 3.43Å; D334-Q336 PolarHBondContact OD1-N 2.99Å; Q336-L338 VanDerWaalsContact C-N 3.35Å; Q336-L339 PolarHBondContact O-N 2.74Å; Q336-S340 PolarHBondContact O-N 2.75Å; Q336-Y417 PolarHBondContact NE2-OH 3.5Å; Q336-H871 HydrophobicContact CG-CB 3.96Å; Q336-H871 PolarHBondContact OE1-CE1 3.09Å; Q336-H871 PolarHBondContact OE1-ND1 3Å; Q336-Y967 HydrophobicContact CB-CE1 4.37Å; Q336-V968 HydrophobicContact CB-CG2 4.44Å |
| 337 | E | 93 | Very high | 91.6 | Very high | 77 Ų | 77 | 38.9 Ų | 38.9 | 36% | 0.36 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.6 | -49.5 | 175.3 | -171.7 | -163.1 | 170 | 0 | 0 | 110 | Q326 F327 D334 S340 F341 | Q326-E337 WeakPolarHBondContact CG-OE1 3.45Å; Q326-E337 PolarHBondContact NE2-OE1 2.88Å; F327-E337 HydrophobicContact CZ-CB 4.39Å; F327-E337 HydrophobicContact CZ-CG 3.97Å; D334-E337 HydrophobicContact CB-CB 3.91Å; D334-E337 PolarHBondContact O-N 3.38Å; E337-S340 PolarHBondContact O-N 2.74Å; E337-F341 PolarHBondContact O-N 3.29Å; E337-F341 VanDerWaalsContact O-N 3.07Å |
| 338 | L | 94.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 174.3 | 178.5 | 73 | 0 | 0 | 0 | 111.9 | F253 M254 A257 V320 F327 D334 Q336 S340 F341 L342 | F253-L338 HydrophobicContact CD2-CB 4.04Å; F253-L338 HydrophobicContact CD2-CD2 3.79Å; F253-L338 HydrophobicContact CD2-CG 4.5Å; F253-L338 HydrophobicContact CE2-CB 4.05Å; F253-L338 HydrophobicContact CE2-CD1 4.47Å; F253-L338 HydrophobicContact CE2-CD2 3.74Å; F253-L338 HydrophobicContact CE2-CG 4.29Å; M254-L338 HydrophobicContact CB-CD2 3.63Å; M254-L338 HydrophobicContact CG-CD2 3.76Å; A257-L338 HydrophobicContact CB-CD2 4.3Å; V320-L338 HydrophobicContact CG1-CD1 3.7Å; F327-L338 HydrophobicContact CD2-CD1 3.89Å; F327-L338 HydrophobicContact CE1-CB 4.22Å; F327-L338 HydrophobicContact CE2-CB 4.43Å; F327-L338 HydrophobicContact CE2-CD1 3.81Å; F327-L338 HydrophobicContact CG-CD1 4.33Å; F327-L338 HydrophobicContact CZ-CB 3.97Å; F327-L338 HydrophobicContact CZ-CD1 4.18Å; D334-L338 PolarHBondContact O-N 2.71Å; Q336-L338 VanDerWaalsContact C-N 3.35Å; L338-S340 VanDerWaalsContact C-N 3.25Å; L338-S340 PolarHBondContact O-N 2.8Å; L338-F341 HydrophobicContact CD1-CD1 4.26Å; L338-F341 PolarHBondContact O-N 2.73Å; L338-F341 VanDerWaalsContact O-N 3.14Å; L338-L342 HydrophobicContact CD1-CD1 4.23Å; L338-L342 HydrophobicContact CD1-CD2 4.46Å; L338-L342 HydrophobicContact CD1-CG 4.08Å; L338-L342 HydrophobicContact CD2-CD1 4.18Å; L338-L342 HydrophobicContact CG-CD1 3.91Å; L338-L342 HydrophobicContact CG-CG 4.11Å; L338-L342 WeakPolarHBondContact O-CG 3.38Å; L338-L342 PolarHBondContact O-N 3.04Å |
| 339 | L | 95.8 | Very high | 92.4 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.2 | -38.6 | 179.5 | 178.1 | 60 | 0 | 0 | 0 | 111.7 | L261 S335 Q336 L342 L343 I869 V968 F970 | L261-L339 HydrophobicContact CD1-CD1 3.8Å; L261-L339 HydrophobicContact CD2-CD1 3.92Å; L261-L339 HydrophobicContact CG-CD1 3.89Å; S335-L339 WeakPolarHBondContact O-CB 3.47Å; S335-L339 PolarHBondContact O-N 3.21Å; Q336-L339 PolarHBondContact O-N 2.74Å; L339-L342 PolarHBondContact O-N 2.89Å; L339-L343 HydrophobicContact CD1-CD1 4.13Å; L339-L343 HydrophobicContact CD1-CG 4.19Å; L339-L343 HydrophobicContact CG-CD1 4.08Å; L339-L343 WeakPolarHBondContact O-CB 3.22Å; L339-L343 VanDerWaalsContact O-CG 3.28Å; L339-L343 WeakPolarHBondContact O-CG 3.45Å; L339-L343 PolarHBondContact O-N 2.84Å; L339-I869 HydrophobicContact CD2-CD1 4.47Å; L339-I869 HydrophobicContact CD2-CG2 3.97Å; L339-V968 HydrophobicContact CD2-CG1 4.03Å; L339-F970 HydrophobicContact CD1-CZ 3.96Å; L339-F970 HydrophobicContact CD2-CE2 3.95Å; L339-F970 HydrophobicContact CD2-CZ 3.67Å; L339-F970 HydrophobicContact CG-CZ 4.48Å |
| 340 | S | 94.8 | Very high | 93.1 | Very high | 35 Ų | 35 | 32.1 Ų | 32.1 | 25% | 0.245 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.1 | -47.7 | 173.4 | -169.7 | 0 | 0 | 0 | 0 | 111.7 | Q336 E337 L338 L342 L343 D344 Y417 | Q336-S340 PolarHBondContact O-N 2.75Å; E337-S340 PolarHBondContact O-N 2.74Å; L338-S340 VanDerWaalsContact C-N 3.25Å; L338-S340 PolarHBondContact O-N 2.8Å; S340-L342 VanDerWaalsContact C-N 3.31Å; S340-L342 PolarHBondContact O-N 3.5Å; S340-L343 PolarHBondContact O-N 3.03Å; S340-D344 WeakPolarHBondContact O-CB 3.1Å; S340-D344 PolarHBondContact O-N 3.44Å; S340-Y417 PolarHBondContact OG-OH 3.3Å |
| 341 | F | 96.1 | Very high | 93.9 | Very high | 34 Ų | 34 | 24.6 Ų | 24.6 | 15% | 0.149 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.1 | -39.4 | 175.9 | 168.7 | -99.4 | 0 | 0 | 0 | 112.4 | M288 I292 V320 F323 A324 F327 E337 L338 G345 | M288-F341 HydrophobicContact CE-CE2 3.72Å; M288-F341 HydrophobicContact CE-CZ 4.15Å; I292-F341 HydrophobicContact CD1-CE1 4.36Å; I292-F341 HydrophobicContact CD1-CZ 4.39Å; V320-F341 HydrophobicContact CB-CE1 4.44Å; V320-F341 HydrophobicContact CG1-CD1 4.34Å; V320-F341 HydrophobicContact CG1-CE1 4Å; V320-F341 HydrophobicContact CG2-CE1 4.34Å; F323-F341 HydrophobicContact CB-CE2 4.5Å; F323-F341 HydrophobicContact CB-CZ 4.07Å; A324-F341 HydrophobicContact CB-CD1 4.26Å; A324-F341 HydrophobicContact CB-CD2 3.78Å; A324-F341 HydrophobicContact CB-CE1 4.07Å; A324-F341 HydrophobicContact CB-CE2 3.56Å; A324-F341 HydrophobicContact CB-CG 4.14Å; A324-F341 HydrophobicContact CB-CZ 3.72Å; F327-F341 HydrophobicContact CE2-CB 4.21Å; F327-F341 HydrophobicContact CE2-CD1 4.3Å; F327-F341 HydrophobicContact CE2-CG 4.27Å; E337-F341 PolarHBondContact O-N 3.29Å; E337-F341 VanDerWaalsContact O-N 3.07Å; L338-F341 HydrophobicContact CD1-CD1 4.26Å; L338-F341 PolarHBondContact O-N 2.73Å; L338-F341 VanDerWaalsContact O-N 3.14Å; F341-G345 PolarHBondContact O-N 2.92Å |
| 342 | L | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -72.7 | -38.4 | 179.4 | -68.2 | -178.3 | 0 | 0 | 0 | 112.7 | L261 I292 F316 V320 L338 L339 S340 L346 | L261-L342 HydrophobicContact CD1-CB 4.49Å; L261-L342 HydrophobicContact CD1-CD1 4.35Å; I292-L342 HydrophobicContact CG2-CD2 4.26Å; F316-L342 HydrophobicContact CE1-CD1 4.29Å; F316-L342 HydrophobicContact CE1-CD2 4.33Å; F316-L342 HydrophobicContact CE2-CD2 4.22Å; F316-L342 HydrophobicContact CZ-CD1 3.85Å; F316-L342 HydrophobicContact CZ-CD2 3.5Å; F316-L342 HydrophobicContact CZ-CG 4.34Å; V320-L342 HydrophobicContact CG2-CD2 4.08Å; L338-L342 HydrophobicContact CD1-CD1 4.23Å; L338-L342 HydrophobicContact CD1-CD2 4.46Å; L338-L342 HydrophobicContact CD1-CG 4.08Å; L338-L342 HydrophobicContact CD2-CD1 4.18Å; L338-L342 HydrophobicContact CG-CD1 3.91Å; L338-L342 HydrophobicContact CG-CG 4.11Å; L338-L342 WeakPolarHBondContact O-CG 3.38Å; L338-L342 PolarHBondContact O-N 3.04Å; L339-L342 PolarHBondContact O-N 2.89Å; S340-L342 VanDerWaalsContact C-N 3.31Å; S340-L342 PolarHBondContact O-N 3.5Å; L342-L346 WeakPolarHBondContact O-CB 3.41Å; L342-L346 WeakPolarHBondContact O-CG 3.07Å; L342-L346 PolarHBondContact O-N 3.32Å |
| 343 | L | 97.4 | Very high | 95 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 174.6 | -72 | 167.4 | 0 | 0 | 0 | 111.2 | L261 L339 S340 H347 I388 F392 C416 Y417 I869 | L261-L343 HydrophobicContact CD2-CD2 4.21Å; L339-L343 HydrophobicContact CD1-CD1 4.13Å; L339-L343 HydrophobicContact CD1-CG 4.19Å; L339-L343 HydrophobicContact CG-CD1 4.08Å; L339-L343 WeakPolarHBondContact O-CB 3.22Å; L339-L343 VanDerWaalsContact O-CG 3.28Å; L339-L343 WeakPolarHBondContact O-CG 3.45Å; L339-L343 PolarHBondContact O-N 2.84Å; S340-L343 PolarHBondContact O-N 3.03Å; L343-H347 VanDerWaalsContact O-CB 3.29Å; L343-H347 WeakPolarHBondContact O-CB 3.37Å; L343-H347 PolarHBondContact O-N 3.21Å; L343-I388 HydrophobicContact CD2-CG2 4.29Å; L343-F392 HydrophobicContact CD2-CD1 4.47Å; L343-F392 HydrophobicContact CD2-CD2 3.78Å; L343-F392 HydrophobicContact CD2-CE2 3.84Å; L343-F392 HydrophobicContact CD2-CG 4.1Å; L343-F392 HydrophobicContact CD2-CZ 4.21Å; L343-C416 HydrophobicContact CD1-CB 4.48Å; L343-Y417 HydrophobicContact CD1-CD1 4.22Å; L343-I869 HydrophobicContact CD1-CD1 3.8Å; L343-I869 HydrophobicContact CD2-CD1 4.41Å |
| 344 | D | 96.4 | Very high | 94.9 | Very high | 87 Ų | 87 | 24.4 Ų | 24.4 | 47% | 0.465 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -67 | -47.9 | 177.7 | -170 | 65.8 | 0 | 0 | 0 | 112.1 | S340 L346 H347 E348 | S340-D344 WeakPolarHBondContact O-CB 3.1Å; S340-D344 PolarHBondContact O-N 3.44Å; D344-L346 PolarHBondContact O-N 3.21Å; D344-H347 WeakPolarHBondContact O-CA 3.37Å; D344-H347 WeakPolarHBondContact O-CB 3.44Å; D344-H347 PolarHBondContact O-N 2.95Å; D344-E348 PolarHBondContact O-N 3.45Å |
| 345 | G | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -39.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | M288 F341 H347 D349 | M288-G345 WeakPolarHBondContact SD-CA 3.35Å; F341-G345 PolarHBondContact O-N 2.92Å; G345-H347 VanDerWaalsContact C-N 3.33Å; G345-D349 VanDerWaalsContact O-CB 3.29Å; G345-D349 WeakPolarHBondContact O-CB 3.35Å; G345-D349 PolarHBondContact O-N 2.8Å |
| 346 | L | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.8 | -29.7 | 171.4 | -68.2 | 175.1 | 0 | 0 | 0 | 112.3 | F271 I292 A293 Y296 L342 D344 L350 I388 | F271-L346 HydrophobicContact CZ-CD2 4.24Å; I292-L346 HydrophobicContact CG2-CD2 4.13Å; I292-L346 HydrophobicContact CG2-CG 4.4Å; A293-L346 HydrophobicContact CB-CD2 4.08Å; Y296-L346 HydrophobicContact CD1-CD1 4.16Å; Y296-L346 HydrophobicContact CD1-CD2 4.23Å; Y296-L346 HydrophobicContact CD2-CD1 4.34Å; Y296-L346 HydrophobicContact CE1-CD1 4.34Å; Y296-L346 HydrophobicContact CG-CD1 4.17Å; Y296-L346 HydrophobicContact CG-CD2 4.14Å; L342-L346 WeakPolarHBondContact O-CB 3.41Å; L342-L346 WeakPolarHBondContact O-CG 3.07Å; L342-L346 PolarHBondContact O-N 3.32Å; D344-L346 PolarHBondContact O-N 3.21Å; L346-L350 WeakPolarHBondContact O-CB 3.29Å; L346-L350 WeakPolarHBondContact O-CG 3.31Å; L346-L350 PolarHBondContact O-N 2.8Å; L346-I388 HydrophobicContact CB-CD1 3.92Å; L346-I388 HydrophobicContact CB-CG1 3.93Å |
| 347 | H | 97.6 | Very high | 94.2 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.028 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.8 | -51 | 173.4 | 169.3 | 53.9 | 0 | 0 | 0 | 110.4 | L343 D344 G345 L350 N351 N384 S386 I388 V389 | L343-H347 VanDerWaalsContact O-CB 3.29Å; L343-H347 WeakPolarHBondContact O-CB 3.37Å; L343-H347 PolarHBondContact O-N 3.21Å; D344-H347 WeakPolarHBondContact O-CA 3.37Å; D344-H347 WeakPolarHBondContact O-CB 3.44Å; D344-H347 PolarHBondContact O-N 2.95Å; G345-H347 VanDerWaalsContact C-N 3.33Å; H347-L350 CarbonylContact O-C 3.45Å; H347-L350 PolarHBondContact O-N 3.04Å; H347-N351 PolarHBondContact O-N 3.34Å; H347-N384 WeakPolarHBondContact NE2-CB 3.46Å; H347-S386 PolarHBondContact ND1-OG 2.87Å; H347-S386 PolarHBondContact O-OG 3.45Å; H347-I388 HydrophobicContact CB-CB 3.96Å; H347-I388 HydrophobicContact CB-CG1 4.23Å; H347-I388 HydrophobicContact CB-CG2 4.07Å; H347-V389 VanDerWaalsContact CE1-CG2 3.46Å; H347-V389 WeakPolarHBondContact CE1-CG2 3.21Å; H347-V389 WeakPolarHBondContact ND1-CG2 3.48Å |
| 348 | E | 97 | Very high | 93.9 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -76.8 | -35.2 | -172.5 | -65.6 | -70 | -154.3 | 0 | 0 | 113.4 | N284 L286 D344 L350 N351 K356 | N284-E348 WeakPolarHBondContact ND2-CB 3.35Å; N284-E348 PolarHBondContact ND2-O 2.79Å; N284-E348 PolarHBondContact ND2-OE2 2.89Å; L286-E348 HydrophobicContact CB-CG 4.1Å; L286-E348 WeakPolarHBondContact CD1-OE1 3.4Å; D344-E348 PolarHBondContact O-N 3.45Å; E348-L350 PolarHBondContact O-N 2.91Å; E348-N351 PolarHBondContact O-N 3.33Å; E348-N351 PolarHBondContact OE2-ND2 2.94Å; E348-N351 VanDerWaalsContact OE2-ND2 3.08Å; E348-K356 IonicContact OE1-NZ 3.37Å; E348-K356 PolarHBondContact OE1-NZ 3.07Å; E348-K356 VanDerWaalsContact OE2-CE 3.22Å; E348-K356 WeakPolarHBondContact OE2-CE 3.42Å; E348-K356 IonicContact OE2-NZ 3.25Å; E348-K356 PolarHBondContact OE2-NZ 3.01Å |
| 349 | D | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -24.8 | 171.4 | -90.1 | -6.1 | 0 | 0 | 0 | 112.9 | L280 N281 M288 K289 G290 E291 I292 A293 G345 | L280-D349 CarbonylContact C-O 3.57Å; L280-D349 WeakPolarHBondContact CA-O 3.42Å; N281-D349 PolarHBondContact N-O 2.93Å; M288-D349 VanDerWaalsContact C-OD1 3.24Å; M288-D349 VanDerWaalsContact CA-OD1 3.3Å; M288-D349 WeakPolarHBondContact CA-OD1 3.4Å; M288-D349 PolarHBondContact N-OD1 2.89Å; K289-D349 PolarHBondContact N-OD1 3.18Å; G290-D349 WeakPolarHBondContact CA-OD1 3.46Å; G290-D349 VanDerWaalsContact CA-OD2 3.27Å; G290-D349 WeakPolarHBondContact CA-OD2 3.4Å; G290-D349 VanDerWaalsContact N-CG 3.3Å; G290-D349 PolarHBondContact N-OD1 3.34Å; E291-D349 PolarHBondContact N-OD2 2.91Å; I292-D349 WeakPolarHBondContact CA-OD2 3.5Å; I292-D349 WeakPolarHBondContact CB-OD2 3.3Å; I292-D349 PolarHBondContact N-OD2 2.88Å; A293-D349 HydrophobicContact CB-CB 3.68Å; A293-D349 PolarHBondContact N-OD2 3.34Å; G345-D349 VanDerWaalsContact O-CB 3.29Å; G345-D349 WeakPolarHBondContact O-CB 3.35Å; G345-D349 PolarHBondContact O-N 2.8Å |
| 350 | L | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 13.8 | -176.9 | -59.5 | 174 | 0 | 0 | 0 | 113.3 | Y270 F271 L280 A293 L346 H347 E348 R352 S386 V387 | Y270-L350 HydrophobicContact CE1-CD1 3.83Å; F271-L350 HydrophobicContact CE1-CD1 4.35Å; F271-L350 HydrophobicContact CZ-CD1 3.8Å; L280-L350 HydrophobicContact CD2-CD2 3.97Å; L280-L350 HydrophobicContact CG-CD2 4.27Å; A293-L350 HydrophobicContact CB-CD1 4.3Å; A293-L350 HydrophobicContact CB-CD2 3.91Å; A293-L350 HydrophobicContact CB-CG 3.97Å; L346-L350 WeakPolarHBondContact O-CB 3.29Å; L346-L350 WeakPolarHBondContact O-CG 3.31Å; L346-L350 PolarHBondContact O-N 2.8Å; H347-L350 CarbonylContact O-C 3.45Å; H347-L350 PolarHBondContact O-N 3.04Å; E348-L350 PolarHBondContact O-N 2.91Å; L350-R352 PolarHBondContact O-N 3.35Å; L350-S386 WeakPolarHBondContact O-CB 3.21Å; L350-V387 HydrophobicContact CD1-CG1 3.89Å |
| 351 | N | 96.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -69.1 | 117.9 | -177.2 | -161.4 | -18.2 | 0 | 0 | 0 | 110.6 | N281 H347 E348 V353 K354 K356 R383 D385 | N281-N351 WeakPolarHBondContact CB-O 3.42Å; N281-N351 PolarHBondContact ND2-O 2.88Å; H347-N351 PolarHBondContact O-N 3.34Å; E348-N351 PolarHBondContact O-N 3.33Å; E348-N351 PolarHBondContact OE2-ND2 2.94Å; E348-N351 VanDerWaalsContact OE2-ND2 3.08Å; N351-V353 PolarHBondContact O-N 2.83Å; N351-V353 WeakPolarHBondContact OD1-CB 3.26Å; N351-V353 PolarHBondContact OD1-N 2.99Å; N351-V353 VanDerWaalsContact OD1-N 3.09Å; N351-K354 PolarHBondContact O-NZ 3.41Å; N351-K356 WeakPolarHBondContact ND2-CE 3.42Å; N351-K356 PolarHBondContact ND2-NZ 3.24Å; N351-K356 VanDerWaalsContact ND2-NZ 3.13Å; N351-R383 PolarHBondContact ND2-O 2.95Å; N351-R383 VanDerWaalsContact ND2-O 3.07Å; N351-D385 PolarHBondContact OD1-N 2.9Å; N351-D385 VanDerWaalsContact OD1-N 3.11Å; N351-D385 PolarHBondContact OD1-O 3.08Å | ||
| 352 | R | 94.9 | Very high | 91.7 | Very high | 72 Ų | 72 | 56.3 Ų | 56.3 | 27% | 0.272 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -64.3 | -30.4 | 176.5 | -59.8 | 163.5 | -175.4 | 133.1 | 7.9 | 110.8 | E279 L350 K354 D385 D390 | E279-R352 IonicContact OE1-CZ 2.78Å; E279-R352 IonicContact OE1-NE 2.77Å; E279-R352 PolarHBondContact OE1-NE 2.77Å; E279-R352 IonicContact OE1-NH2 2.85Å; E279-R352 PolarHBondContact OE1-NH2 3.06Å; E279-R352 IonicContact OE2-CZ 3.55Å; E279-R352 IonicContact OE2-NE 2.93Å; E279-R352 IonicContact OE2-NH2 2.67Å; E279-R352 PolarHBondContact OE2-NH2 3.26Å; L350-R352 PolarHBondContact O-N 3.35Å; R352-K354 PolarHBondContact O-N 2.76Å; R352-K354 VanDerWaalsContact O-N 3.16Å; R352-D385 HydrophobicContact CB-CB 4.32Å; R352-D385 VanDerWaalsContact CB-O 3.25Å; R352-D385 WeakPolarHBondContact CB-O 3.44Å; R352-D385 WeakPolarHBondContact CD-O 3.38Å; R352-D385 WeakPolarHBondContact CG-O 3.1Å; R352-D385 IonicContact CZ-OD1 3.61Å; R352-D385 PolarHBondContact N-O 3.44Å; R352-D385 IonicContact NH1-OD1 2.71Å; R352-D385 PolarHBondContact NH1-OD1 3.36Å; R352-D390 IonicContact CZ-OD2 3.55Å; R352-D390 VanDerWaalsContact CZ-OD2 3.23Å; R352-D390 IonicContact NH1-OD1 2.81Å; R352-D390 PolarHBondContact NH1-OD1 2.81Å; R352-D390 IonicContact NH1-OD2 3.5Å; R352-D390 PolarHBondContact NH1-OD2 3.36Å; R352-D390 IonicContact NH2-OD2 3.62Å; R352-D390 PolarHBondContact NH2-OD2 3.45Å |
| 353 | V | 93.1 | Very high | 91.1 | Very high | 25 Ų | 25 | 57.6 Ų | 57.6 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | trans | -72.6 | 104.7 | 175.4 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | N281 N351 N355 K356 R382 D385 | N281-V353 PolarHBondContact ND2-O 2.92Å; N351-V353 PolarHBondContact O-N 2.83Å; N351-V353 WeakPolarHBondContact OD1-CB 3.26Å; N351-V353 PolarHBondContact OD1-N 2.99Å; N351-V353 VanDerWaalsContact OD1-N 3.09Å; V353-N355 VanDerWaalsContact CG1-O 3.27Å; V353-N355 WeakPolarHBondContact CG1-O 3.11Å; V353-K356 HydrophobicContact CG1-CG 4.4Å; V353-R382 WeakPolarHBondContact CG1-O 3.42Å; V353-D385 HydrophobicContact CG2-CB 3.97Å | ||
| 354 | K | 86.5 | Confident | 90.7 | Very high | 103 Ų | 103 | 57.8 Ų | 57.8 | 45% | 0.448 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -81.8 | -20.1 | 179.2 | -50.4 | -53.6 | 179.8 | -173.3 | 0 | 113.7 | E279 L280 N281 N351 R352 | E279-K354 PolarHBondContact O-NZ 3.13Å; L280-K354 PolarHBondContact O-NZ 3.05Å; N281-K354 HydrophobicContact CB-CD 4.36Å; N281-K354 WeakPolarHBondContact ND2-CD 3.47Å; N351-K354 PolarHBondContact O-NZ 3.41Å; R352-K354 PolarHBondContact O-N 2.76Å; R352-K354 VanDerWaalsContact O-N 3.16Å |
| 355 | N | 86.4 | Confident | 90.1 | Very high | 124 Ų | 124 | 59.5 Ų | 59.5 | 66% | 0.663 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -127.9 | 110.3 | 174.4 | -179.9 | 14.3 | 0 | 0 | 0 | 110.7 | V353 E357 | V353-N355 VanDerWaalsContact CG1-O 3.27Å; V353-N355 WeakPolarHBondContact CG1-O 3.11Å; N355-E357 PolarHBondContact O-N 3.25Å |
| 356 | K | 88.4 | Confident | 89.6 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 17% | 0.174 | 32% | 0.315 | C | S | . | . | trans | -87 | 85.7 | 179.5 | -63.3 | -161.6 | -177.4 | -153.8 | 0 | 111.4 | L286 E348 N351 V353 R383 N384 | L286-K356 HydrophobicContact CD1-CD 4.15Å; E348-K356 IonicContact OE1-NZ 3.37Å; E348-K356 PolarHBondContact OE1-NZ 3.07Å; E348-K356 VanDerWaalsContact OE2-CE 3.22Å; E348-K356 WeakPolarHBondContact OE2-CE 3.42Å; E348-K356 IonicContact OE2-NZ 3.25Å; E348-K356 PolarHBondContact OE2-NZ 3.01Å; N351-K356 WeakPolarHBondContact ND2-CE 3.42Å; N351-K356 PolarHBondContact ND2-NZ 3.24Å; N351-K356 VanDerWaalsContact ND2-NZ 3.13Å; V353-K356 HydrophobicContact CG1-CG 4.4Å; K356-R383 VanDerWaalsContact CE-O 3.24Å; K356-R383 WeakPolarHBondContact CE-O 3.33Å; K356-R383 PolarHBondContact NZ-O 3.35Å; K356-N384 PolarHBondContact NZ-OD1 2.67Å | ||
| 357 | E | 85.3 | Confident | 89.3 | Confident | 100 Ų | 100 | 67.3 Ų | 67.3 | 47% | 0.467 | 33% | 0.33 | S | S | . | . | trans | -51.6 | 143.3 | 171.2 | -63.4 | -176.5 | 133.7 | 0 | 0 | 111.6 | N355 R382 R383 | N355-E357 PolarHBondContact O-N 3.25Å; E357-R382 IonicContact OE2-CZ 2.74Å; E357-R382 IonicContact OE2-NH2 3.26Å; E357-R382 PolarHBondContact OE2-NH2 3.36Å; E357-R383 WeakPolarHBondContact O-CD 3.45Å; E357-R383 PolarHBondContact O-NE 3.47Å | ||
| 358 | Y | 86.5 | Confident | 89.1 | Confident | 198 Ų | 198 | 70.4 Ų | 70.4 | 78% | 0.776 | 35% | 0.35 | S | S | * | . | trans | -71.4 | 130.2 | 170.5 | 178.6 | -92.5 | 0 | 0 | 0 | 109.7 | E360 | Y358-E360 HydrophobicContact CE1-CB 4.25Š| ||
| 359 | I | 85.4 | Confident | 88.8 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 12% | 0.123 | 36% | 0.362 | C | S | . | . | trans | -126.5 | 118.4 | 176.1 | -57.4 | 178.7 | 0 | 0 | 0 | 107.6 | L361 N379 R382 R383 | I359-L361 PolarHBondContact O-N 3.46Å; I359-N379 HydrophobicContact CD1-CB 4.16Å; I359-N379 HydrophobicContact CG2-CB 4.12Å; I359-R382 HydrophobicContact CD1-CB 4.03Å; I359-R383 HydrophobicContact CD1-CG 3.98Å; I359-R383 HydrophobicContact CG1-CG 4.48Å | ||
| 360 | E | 83.9 | Confident | 88.6 | Confident | 106 Ų | 106 | 75.3 Ų | 75.3 | 50% | 0.495 | 38% | 0.375 | S | S | . | . | trans | -64.7 | 117.6 | 169.7 | 178.5 | -172.1 | -121 | 0 | 0 | 109.1 | Y358 R362 | Y358-E360 HydrophobicContact CE1-CB 4.25Å; E360-R362 HydrophobicContact CG-CG 4.46Å; E360-R362 IonicContact OE2-CZ 2.67Å; E360-R362 VanDerWaalsContact OE2-CZ 3.26Å; E360-R362 IonicContact OE2-NE 3.36Å; E360-R362 PolarHBondContact OE2-NE 3.08Å; E360-R362 IonicContact OE2-NH2 2.66Å; E360-R362 PolarHBondContact OE2-NH2 3.11Å | ||
| 361 | L | 82.8 | Confident | 88.3 | Confident | 129 Ų | 129 | 80.8 Ų | 80.8 | 68% | 0.675 | 40% | 0.4 | S | S | * | . | trans | -76.2 | 137.9 | 171.2 | -65.4 | 178.4 | 0 | 0 | 0 | 109.6 | I359 | I359-L361 PolarHBondContact O-N 3.46Š| ||
| 362 | R | 82.2 | Confident | 88.2 | Confident | 156 Ų | 156 | 81 Ų | 81 | 59% | 0.589 | 40% | 0.402 | S | S | * | . | trans | -120.7 | 144.3 | -175.7 | -67 | -179.8 | 174.2 | 178 | -2.2 | 110.9 | E360 | E360-R362 HydrophobicContact CG-CG 4.46Å; E360-R362 IonicContact OE2-CZ 2.67Å; E360-R362 VanDerWaalsContact OE2-CZ 3.26Å; E360-R362 IonicContact OE2-NE 3.36Å; E360-R362 PolarHBondContact OE2-NE 3.08Å; E360-R362 IonicContact OE2-NH2 2.66Å; E360-R362 PolarHBondContact OE2-NH2 3.11Å | ||
| 363 | D | 86 | Confident | 88.1 | Confident | 26 Ų | 26 | 77.8 Ų | 77.8 | 14% | 0.139 | 39% | 0.39 | C | S | . | . | trans | -60.2 | 160.2 | 169.3 | -159.1 | -33.6 | 0 | 0 | 0 | 110.1 | D365 R367 K407 S409 V410 | D363-D365 PolarHBondContact O-N 3.07Å; D363-D365 PolarHBondContact OD1-N 3.48Å; D363-R367 PolarHBondContact O-NH2 3.16Å; D363-K407 WeakPolarHBondContact OD2-CE 3.31Å; D363-K407 IonicContact OD2-NZ 3.79Å; D363-K407 PolarHBondContact OD2-NZ 2.8Å; D363-S409 WeakPolarHBondContact OD2-CA 3.49Å; D363-S409 WeakPolarHBondContact OD2-CB 3.45Å; D363-S409 PolarHBondContact OD2-OG 2.91Å; D363-V410 PolarHBondContact OD1-N 3.29Å | ||
| 364 | A | 87.4 | Confident | 88.1 | Confident | 6 Ų | 6 | 81 Ų | 81 | 5% | 0.05 | 40% | 0.404 | C | S | . | . | trans | -60.2 | -37.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G366 R367 V372 V410 | A364-G366 PolarHBondContact O-N 3.09Å; A364-G366 VanDerWaalsContact O-N 3.11Å; A364-R367 VanDerWaalsContact O-CB 3.23Å; A364-R367 WeakPolarHBondContact O-CB 3.11Å; A364-R367 WeakPolarHBondContact O-CG 3.43Å; A364-R367 PolarHBondContact O-N 3.13Å; A364-R367 PolarHBondContact O-NE 3.08Å; A364-V372 HydrophobicContact CB-CG1 4.28Å; A364-V372 HydrophobicContact CB-CG2 3.9Å; A364-V410 HydrophobicContact CB-CB 3.8Å; A364-V410 HydrophobicContact CB-CG1 4.08Å; A364-V410 PolarHBondContact N-O 2.84Å | ||
| 365 | D | 85.6 | Confident | 88.4 | Confident | 123 Ų | 123 | 78.7 Ų | 78.7 | 66% | 0.658 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 37 | -177.2 | -76.9 | -30.6 | 0 | 0 | 0 | 113.6 | D363 K407 | D363-D365 PolarHBondContact O-N 3.07Å; D363-D365 PolarHBondContact OD1-N 3.48Å; D365-K407 IonicContact OD1-NZ 2.78Å |
| 366 | G | 83.9 | Confident | 88.8 | Confident | 83 Ų | 83 | 73.6 Ų | 73.6 | 86% | 0.856 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | 4.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | A364 | A364-G366 PolarHBondContact O-N 3.09Å; A364-G366 VanDerWaalsContact O-N 3.11Å |
| 367 | R | 92.1 | Very high | 89.1 | Confident | 82 Ų | 82 | 75.5 Ų | 75.5 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | trans | -69.7 | 157.2 | 171 | -62.8 | 177.6 | -66.5 | 151.8 | -5.7 | 111.7 | D363 A364 V372 E375 | D363-R367 PolarHBondContact O-NH2 3.16Å; A364-R367 VanDerWaalsContact O-CB 3.23Å; A364-R367 WeakPolarHBondContact O-CB 3.11Å; A364-R367 WeakPolarHBondContact O-CG 3.43Å; A364-R367 PolarHBondContact O-N 3.13Å; A364-R367 PolarHBondContact O-NE 3.08Å; R367-V372 HydrophobicContact CB-CG2 3.72Å; R367-E375 IonicContact CZ-OE2 2.71Å; R367-E375 IonicContact NH1-OE2 2.93Å; R367-E375 PolarHBondContact NH1-OE2 3.07Å; R367-E375 IonicContact NH2-OE2 2.66Å | ||
| 368 | P | 92.6 | Very high | 89.5 | Confident | 71 Ų | 71 | 77.7 Ų | 77.7 | 46% | 0.461 | 38% | 0.38 | S | S | . | . | trans | -63.4 | 135.9 | 178.4 | -20.8 | 33.5 | 0 | 0 | 0 | 112.7 | Q370 E371 V372 | P368-Q370 PolarHBondContact O-N 2.82Å; P368-Q370 VanDerWaalsContact O-N 3.11Å; P368-E371 HydrophobicContact CB-CG 4.31Å; P368-E371 HydrophobicContact CG-CG 4.35Å; P368-E371 PolarHBondContact O-N 2.81Å; P368-V372 PolarHBondContact O-N 2.82Å | ||
| 369 | D | 92.2 | Very high | 89.8 | Confident | 54 Ų | 54 | 69.3 Ų | 69.3 | 29% | 0.289 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -45.8 | -45.5 | 179.7 | -76.8 | -14.5 | 0 | 0 | 0 | 113.5 | E371 V372 A373 K397 F412 W862 | D369-E371 PolarHBondContact O-N 2.68Å; D369-V372 PolarHBondContact O-N 3.42Å; D369-A373 VanDerWaalsContact O-CB 3.25Å; D369-A373 WeakPolarHBondContact O-CB 3.37Å; D369-A373 PolarHBondContact O-N 3.29Å; D369-K397 WeakPolarHBondContact OD1-CE 3.43Å; D369-K397 IonicContact OD1-NZ 2.7Å; D369-K397 PolarHBondContact OD1-NZ 3.34Å; D369-K397 IonicContact OD2-NZ 2.63Å; D369-K397 PolarHBondContact OD2-NZ 3.1Å; D369-F412 HydrophobicContact CB-CZ 3.82Å; D369-W862 HydrophobicContact CB-CH2 3.71Å; D369-W862 HydrophobicContact CB-CZ3 3.74Å |
| 370 | Q | 91.3 | Very high | 90.2 | Very high | 60 Ų | 60 | 70 Ų | 70 | 28% | 0.28 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | -179.4 | -179.1 | 69.5 | 43.2 | 0 | 0 | 112.8 | P368 E374 W862 | P368-Q370 PolarHBondContact O-N 2.82Å; P368-Q370 VanDerWaalsContact O-N 3.11Å; Q370-E374 PolarHBondContact NE2-OE1 2.81Å; Q370-E374 WeakPolarHBondContact O-CB 3.25Å; Q370-E374 WeakPolarHBondContact O-CG 3.19Å; Q370-E374 PolarHBondContact O-N 2.9Å; Q370-W862 HydrophobicContact CB-CH2 4.44Å; Q370-W862 HydrophobicContact CB-CZ2 4.26Å |
| 371 | E | 92.1 | Very high | 90.7 | Very high | 114 Ų | 114 | 69.7 Ų | 69.7 | 53% | 0.533 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.6 | -41.4 | 178.9 | -65.5 | 179.1 | -166.3 | 0 | 0 | 111.3 | P368 D369 E375 | P368-E371 HydrophobicContact CB-CG 4.31Å; P368-E371 HydrophobicContact CG-CG 4.35Å; P368-E371 PolarHBondContact O-N 2.81Å; D369-E371 PolarHBondContact O-N 2.68Å; E371-E375 WeakPolarHBondContact O-CB 3.26Å; E371-E375 PolarHBondContact O-N 3.43Å |
| 372 | V | 93.6 | Very high | 91.2 | Very high | 6 Ų | 6 | 69.3 Ų | 69.3 | 4% | 0.036 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.2 | -39.5 | -179.5 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | A364 R367 P368 D369 E375 A376 F412 | A364-V372 HydrophobicContact CB-CG1 4.28Å; A364-V372 HydrophobicContact CB-CG2 3.9Å; R367-V372 HydrophobicContact CB-CG2 3.72Å; P368-V372 PolarHBondContact O-N 2.82Å; D369-V372 PolarHBondContact O-N 3.42Å; V372-E375 PolarHBondContact O-N 3.37Å; V372-A376 WeakPolarHBondContact O-CB 3.15Å; V372-A376 PolarHBondContact O-N 2.94Å; V372-F412 HydrophobicContact CB-CD2 3.96Å; V372-F412 HydrophobicContact CB-CE2 3.93Å; V372-F412 HydrophobicContact CG1-CD2 3.71Å; V372-F412 HydrophobicContact CG1-CE2 4.09Å |
| 373 | A | 92.5 | Very high | 91.7 | Very high | 3 Ų | 3 | 66 Ų | 66 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D369 A376 W377 L395 F412 W862 | D369-A373 VanDerWaalsContact O-CB 3.25Å; D369-A373 WeakPolarHBondContact O-CB 3.37Å; D369-A373 PolarHBondContact O-N 3.29Å; A373-A376 PolarHBondContact O-N 2.84Å; A373-W377 WeakPolarHBondContact O-CB 3.42Å; A373-W377 PolarHBondContact O-N 3.24Å; A373-L395 HydrophobicContact CB-CD2 3.98Å; A373-F412 HydrophobicContact CB-CD1 3.59Å; A373-F412 HydrophobicContact CB-CD2 4.38Å; A373-F412 HydrophobicContact CB-CE1 3.72Å; A373-F412 HydrophobicContact CB-CE2 4.5Å; A373-F412 HydrophobicContact CB-CG 3.93Å; A373-F412 HydrophobicContact CB-CZ 4.18Å; A373-W862 HydrophobicContact CB-CD2 4.26Å; A373-W862 HydrophobicContact CB-CG 4.4Å; A373-W862 HydrophobicContact CB-CZ2 4Å; A373-W862 VanDerWaalsContact CB-NE1 3.31Å |
| 374 | E | 93.1 | Very high | 92.2 | Very high | 93 Ų | 93 | 65.7 Ų | 65.7 | 44% | 0.435 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 174.4 | -80.2 | -178.5 | -147 | 0 | 0 | 112.7 | Q370 R378 | Q370-E374 PolarHBondContact NE2-OE1 2.81Å; Q370-E374 WeakPolarHBondContact O-CB 3.25Å; Q370-E374 WeakPolarHBondContact O-CG 3.19Å; Q370-E374 PolarHBondContact O-N 2.9Å; E374-R378 WeakPolarHBondContact O-CB 3.25Å; E374-R378 PolarHBondContact O-N 2.6Å; E374-R378 VanDerWaalsContact O-N 3.07Å; E374-R378 IonicContact OE2-NH2 3.46Å |
| 375 | E | 93.6 | Very high | 92.6 | Very high | 54 Ų | 54 | 66.9 Ų | 66.9 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.3 | -48.8 | 172.7 | -175.9 | -177.6 | 170.7 | 0 | 0 | 111.2 | R367 E371 V372 W377 R378 N379 | R367-E375 IonicContact CZ-OE2 2.71Å; R367-E375 IonicContact NH1-OE2 2.93Å; R367-E375 PolarHBondContact NH1-OE2 3.07Å; R367-E375 IonicContact NH2-OE2 2.66Å; E371-E375 WeakPolarHBondContact O-CB 3.26Å; E371-E375 PolarHBondContact O-N 3.43Å; V372-E375 PolarHBondContact O-N 3.37Å; E375-W377 PolarHBondContact O-N 2.95Å; E375-R378 PolarHBondContact O-N 2.98Å; E375-N379 WeakPolarHBondContact O-CB 3.17Å; E375-N379 VanDerWaalsContact O-CG 3.27Å; E375-N379 PolarHBondContact O-N 3.23Å; E375-N379 PolarHBondContact O-ND2 2.98Å |
| 376 | A | 94.2 | Very high | 93.2 | Very high | 18 Ų | 18 | 61 Ų | 61 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V372 A373 R378 N379 H380 F412 | V372-A376 WeakPolarHBondContact O-CB 3.15Å; V372-A376 PolarHBondContact O-N 2.94Å; A373-A376 PolarHBondContact O-N 2.84Å; A376-R378 PolarHBondContact O-N 3.15Å; A376-N379 PolarHBondContact O-N 3.38Å; A376-H380 WeakPolarHBondContact O-CB 3.25Å; A376-H380 PolarHBondContact O-N 3.48Å; A376-F412 HydrophobicContact CB-CB 3.68Å; A376-F412 WeakPolarHBondContact CB-O 3.45Å |
| 377 | W | 94.3 | Very high | 93.8 | Very high | 80 Ų | 80 | 57.5 Ų | 57.5 | 30% | 0.303 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 177.1 | -172.6 | -116.5 | 0 | 0 | 0 | 112.6 | A373 E375 H380 R381 V389 H393 L395 | A373-W377 WeakPolarHBondContact O-CB 3.42Å; A373-W377 PolarHBondContact O-N 3.24Å; E375-W377 PolarHBondContact O-N 2.95Å; W377-H380 AromaticContact CZ3-CD2 3.77Å; W377-H380 PolarHBondContact O-N 2.83Å; W377-R381 HydrophobicContact CZ2-CG 4.46Å; W377-R381 PolarHBondContact O-N 2.81Å; W377-V389 HydrophobicContact CH2-CG1 4.03Å; W377-V389 HydrophobicContact CZ2-CG1 4.43Å; W377-H393 HydrophobicContact CH2-CB 3.81Å; W377-H393 HydrophobicContact CZ3-CB 4.12Å; W377-L395 HydrophobicContact CE3-CD1 4.31Å |
| 378 | R | 93.9 | Very high | 94 | Very high | 145 Ų | 145 | 53.6 Ų | 53.6 | 55% | 0.547 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.7 | -38.6 | 175.3 | -169.6 | -174 | -52.6 | 145.3 | 8 | 111.9 | E374 E375 A376 R382 | E374-R378 WeakPolarHBondContact O-CB 3.25Å; E374-R378 PolarHBondContact O-N 2.6Å; E374-R378 VanDerWaalsContact O-N 3.07Å; E374-R378 IonicContact OE2-NH2 3.46Å; E375-R378 PolarHBondContact O-N 2.98Å; A376-R378 PolarHBondContact O-N 3.15Å; R378-R382 WeakPolarHBondContact O-CG 3.44Å; R378-R382 PolarHBondContact O-N 3.25Å |
| 379 | N | 93.6 | Very high | 94.2 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 12% | 0.118 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.3 | -35.9 | 175.7 | -73.8 | -18.5 | 0 | 0 | 0 | 112 | I359 E375 A376 R382 | I359-N379 HydrophobicContact CD1-CB 4.16Å; I359-N379 HydrophobicContact CG2-CB 4.12Å; E375-N379 WeakPolarHBondContact O-CB 3.17Å; E375-N379 VanDerWaalsContact O-CG 3.27Å; E375-N379 PolarHBondContact O-N 3.23Å; E375-N379 PolarHBondContact O-ND2 2.98Å; A376-N379 PolarHBondContact O-N 3.38Å; N379-R382 PolarHBondContact O-N 2.94Å |
| 380 | H | 94.2 | Very high | 94.3 | Very high | 38 Ų | 38 | 51.4 Ų | 51.4 | 18% | 0.176 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.5 | -55.6 | 169.6 | -179.5 | 68.2 | 0 | 0 | 0 | 110.6 | A376 W377 R382 R383 N384 H393 P414 | A376-H380 WeakPolarHBondContact O-CB 3.25Å; A376-H380 PolarHBondContact O-N 3.48Å; W377-H380 AromaticContact CZ3-CD2 3.77Å; W377-H380 PolarHBondContact O-N 2.83Å; H380-R382 PolarHBondContact O-N 2.9Å; H380-R382 VanDerWaalsContact O-N 3.16Å; H380-R383 PolarHBondContact O-N 2.79Å; H380-N384 PolarHBondContact CE1-ND2 3.18Å; H380-N384 PolarHBondContact ND1-ND2 3.01Å; H380-N384 PolarHBondContact NE2-ND2 2.93Å; H380-N384 WeakPolarHBondContact O-CB 3.41Å; H380-N384 PolarHBondContact O-N 3.43Å; H380-H393 AromaticContact NE2-CE1 3.36Å; H380-H393 PolarHBondContact NE2-CE1 2.61Å; H380-H393 AromaticContact NE2-ND1 3.3Å; H380-H393 PolarHBondContact NE2-ND1 3.33Å; H380-P414 WeakPolarHBondContact CE1-CG 3.45Å |
| 381 | R | 94.1 | Very high | 94.5 | Very high | 101 Ų | 101 | 48.8 Ų | 48.8 | 38% | 0.381 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.4 | -20.8 | 179.7 | -69.6 | -160.5 | 71.2 | -125.7 | -5.2 | 114.7 | W377 R383 N384 D385 | W377-R381 HydrophobicContact CZ2-CG 4.46Å; W377-R381 PolarHBondContact O-N 2.81Å; R381-R383 VanDerWaalsContact C-N 3.28Å; R381-R383 PolarHBondContact O-N 2.8Å; R381-N384 WeakPolarHBondContact CA-O 3.4Å; R381-D385 IonicContact CZ-OD1 2.62Å; R381-D385 IonicContact CZ-OD2 3.78Å; R381-D385 IonicContact NE-OD1 3.66Å; R381-D385 IonicContact NH2-OD1 3.62Å; R381-D385 PolarHBondContact NH2-OD1 3.13Å; R381-D385 IonicContact NH2-OD2 2.72Å; R381-D385 PolarHBondContact NH2-OD2 3.33Å |
| 382 | R | 92.7 | Very high | 94.8 | Very high | 121 Ų | 121 | 43.3 Ų | 43.3 | 46% | 0.457 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18.3 | 170 | -85.8 | -178.9 | 67 | -162.1 | 3.7 | 114.5 | V353 E357 I359 R378 N379 H380 | V353-R382 WeakPolarHBondContact CG1-O 3.42Å; E357-R382 IonicContact OE2-CZ 2.74Å; E357-R382 IonicContact OE2-NH2 3.26Å; E357-R382 PolarHBondContact OE2-NH2 3.36Å; I359-R382 HydrophobicContact CD1-CB 4.03Å; R378-R382 WeakPolarHBondContact O-CG 3.44Å; R378-R382 PolarHBondContact O-N 3.25Å; N379-R382 PolarHBondContact O-N 2.94Å; H380-R382 PolarHBondContact O-N 2.9Å; H380-R382 VanDerWaalsContact O-N 3.16Å |
| 383 | R | 93.8 | Very high | 94.9 | Very high | 86 Ų | 86 | 44.1 Ų | 44.1 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -27 | -179.7 | -59.6 | 178.9 | 75.5 | -141.5 | -5.2 | 112.5 | N351 K356 E357 I359 H380 R381 | N351-R383 PolarHBondContact ND2-O 2.95Å; N351-R383 VanDerWaalsContact ND2-O 3.07Å; K356-R383 VanDerWaalsContact CE-O 3.24Å; K356-R383 WeakPolarHBondContact CE-O 3.33Å; K356-R383 PolarHBondContact NZ-O 3.35Å; E357-R383 WeakPolarHBondContact O-CD 3.45Å; E357-R383 PolarHBondContact O-NE 3.47Å; I359-R383 HydrophobicContact CD1-CG 3.98Å; I359-R383 HydrophobicContact CG1-CG 4.48Å; H380-R383 PolarHBondContact O-N 2.79Å; R381-R383 VanDerWaalsContact C-N 3.28Å; R381-R383 PolarHBondContact O-N 2.8Å |
| 384 | N | 95.2 | Very high | 95.1 | Very high | 20 Ų | 20 | 44 Ų | 44 | 11% | 0.107 | 19% | 0.192 | C | C | . | . | trans | -137.6 | 97.7 | -166.8 | -61.6 | -15.2 | 0 | 0 | 0 | 109.1 | H347 K356 H380 R381 V389 | H347-N384 WeakPolarHBondContact NE2-CB 3.46Å; K356-N384 PolarHBondContact NZ-OD1 2.67Å; H380-N384 PolarHBondContact CE1-ND2 3.18Å; H380-N384 PolarHBondContact ND1-ND2 3.01Å; H380-N384 PolarHBondContact NE2-ND2 2.93Å; H380-N384 WeakPolarHBondContact O-CB 3.41Å; H380-N384 PolarHBondContact O-N 3.43Å; R381-N384 WeakPolarHBondContact CA-O 3.4Å; N384-V389 HydrophobicContact CB-CG2 4.42Å | ||
| 385 | D | 96.4 | Very high | 95.1 | Very high | 30 Ų | 30 | 39.7 Ų | 39.7 | 16% | 0.16 | 17% | 0.172 | C | C | . | . | trans | -138 | 106.6 | 179 | -169.2 | 11.1 | 0 | 0 | 0 | 109.1 | N351 R352 V353 R381 | N351-D385 PolarHBondContact OD1-N 2.9Å; N351-D385 VanDerWaalsContact OD1-N 3.11Å; N351-D385 PolarHBondContact OD1-O 3.08Å; R352-D385 HydrophobicContact CB-CB 4.32Å; R352-D385 VanDerWaalsContact CB-O 3.25Å; R352-D385 WeakPolarHBondContact CB-O 3.44Å; R352-D385 WeakPolarHBondContact CD-O 3.38Å; R352-D385 WeakPolarHBondContact CG-O 3.1Å; R352-D385 IonicContact CZ-OD1 3.61Å; R352-D385 PolarHBondContact N-O 3.44Å; R352-D385 IonicContact NH1-OD1 2.71Å; R352-D385 PolarHBondContact NH1-OD1 3.36Å; V353-D385 HydrophobicContact CG2-CB 3.97Å; R381-D385 IonicContact CZ-OD1 2.62Å; R381-D385 IonicContact CZ-OD2 3.78Å; R381-D385 IonicContact NE-OD1 3.66Å; R381-D385 IonicContact NH2-OD1 3.62Å; R381-D385 PolarHBondContact NH2-OD1 3.13Å; R381-D385 IonicContact NH2-OD2 2.72Å; R381-D385 PolarHBondContact NH2-OD2 3.33Å | ||
| 386 | S | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -161.2 | 172.4 | 176.6 | 75 | 0 | 0 | 0 | 0 | 111.2 | H347 L350 I388 V389 D390 | H347-S386 PolarHBondContact ND1-OG 2.87Å; H347-S386 PolarHBondContact O-OG 3.45Å; L350-S386 WeakPolarHBondContact O-CB 3.21Å; S386-I388 PolarHBondContact O-N 2.81Å; S386-I388 PolarHBondContact OG-N 3.16Å; S386-V389 WeakPolarHBondContact O-CA 3.34Å; S386-V389 WeakPolarHBondContact O-CB 3.29Å; S386-V389 PolarHBondContact O-N 3.37Å; S386-D390 PolarHBondContact O-N 3.5Å |
| 387 | V | 96.5 | Very high | 95.2 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 6% | 0.055 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -50.1 | -30.6 | 176.3 | 71.8 | 0 | 0 | 0 | 0 | 113.9 | L267 Y270 L350 T391 | L267-V387 HydrophobicContact CD1-CG1 4.12Å; L267-V387 HydrophobicContact CD1-CG2 4.4Å; Y270-V387 HydrophobicContact CD1-CB 4.24Å; Y270-V387 HydrophobicContact CD1-CG1 4.03Å; Y270-V387 HydrophobicContact CD1-CG2 3.98Å; Y270-V387 HydrophobicContact CD2-CB 4.16Å; Y270-V387 HydrophobicContact CD2-CG2 3.88Å; Y270-V387 HydrophobicContact CE1-CB 4.01Å; Y270-V387 HydrophobicContact CE1-CG1 3.61Å; Y270-V387 HydrophobicContact CE1-CG2 4.27Å; Y270-V387 HydrophobicContact CE2-CB 3.92Å; Y270-V387 HydrophobicContact CE2-CG1 4.41Å; Y270-V387 HydrophobicContact CE2-CG2 4.18Å; Y270-V387 HydrophobicContact CG-CB 4.29Å; Y270-V387 HydrophobicContact CG-CG2 3.75Å; L350-V387 HydrophobicContact CD1-CG1 3.89Å; V387-T391 WeakPolarHBondContact O-CB 3.48Å; V387-T391 PolarHBondContact O-N 3.17Å; V387-T391 PolarHBondContact O-OG1 3.43Å |
| 388 | I | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.1 | -38.8 | 177.3 | -57.6 | -56.4 | 0 | 0 | 0 | 111.2 | L267 L343 L346 H347 S386 T391 F392 H393 | L267-I388 HydrophobicContact CD1-CD1 3.71Å; L343-I388 HydrophobicContact CD2-CG2 4.29Å; L346-I388 HydrophobicContact CB-CD1 3.92Å; L346-I388 HydrophobicContact CB-CG1 3.93Å; H347-I388 HydrophobicContact CB-CB 3.96Å; H347-I388 HydrophobicContact CB-CG1 4.23Å; H347-I388 HydrophobicContact CB-CG2 4.07Å; S386-I388 PolarHBondContact O-N 2.81Å; S386-I388 PolarHBondContact OG-N 3.16Å; I388-T391 PolarHBondContact O-N 3.27Å; I388-F392 HydrophobicContact CD1-CD2 4.14Å; I388-F392 HydrophobicContact CD1-CE2 3.95Å; I388-F392 HydrophobicContact CG2-CD2 4.03Å; I388-F392 WeakPolarHBondContact O-CB 3.25Å; I388-F392 PolarHBondContact O-N 2.86Å; I388-H393 PolarHBondContact O-CD2 3.39Å |
| 389 | V | 96.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.018 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.9 | -42.9 | 174 | -173.9 | 0 | 0 | 0 | 0 | 110.3 | H347 W377 N384 S386 T391 H393 | H347-V389 VanDerWaalsContact CE1-CG2 3.46Å; H347-V389 WeakPolarHBondContact CE1-CG2 3.21Å; H347-V389 WeakPolarHBondContact ND1-CG2 3.48Å; W377-V389 HydrophobicContact CH2-CG1 4.03Å; W377-V389 HydrophobicContact CZ2-CG1 4.43Å; N384-V389 HydrophobicContact CB-CG2 4.42Å; S386-V389 WeakPolarHBondContact O-CA 3.34Å; S386-V389 WeakPolarHBondContact O-CB 3.29Å; S386-V389 PolarHBondContact O-N 3.37Å; V389-T391 VanDerWaalsContact C-N 3.29Å; V389-T391 PolarHBondContact O-N 2.95Å; V389-H393 HydrophobicContact CB-CB 4.47Å; V389-H393 HydrophobicContact CG1-CB 3.99Å; V389-H393 WeakPolarHBondContact O-CB 3.28Å; V389-H393 PolarHBondContact O-N 3.46Å |
| 390 | D | 94.5 | Very high | 95.4 | Very high | 76 Ų | 76 | 29.9 Ų | 29.9 | 41% | 0.406 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -62.3 | -36.6 | 177.9 | -57.3 | -38.7 | 0 | 0 | 0 | 112.3 | R352 S386 | R352-D390 IonicContact CZ-OD2 3.55Å; R352-D390 VanDerWaalsContact CZ-OD2 3.23Å; R352-D390 IonicContact NH1-OD1 2.81Å; R352-D390 PolarHBondContact NH1-OD1 2.81Å; R352-D390 IonicContact NH1-OD2 3.5Å; R352-D390 PolarHBondContact NH1-OD2 3.36Å; R352-D390 IonicContact NH2-OD2 3.62Å; R352-D390 PolarHBondContact NH2-OD2 3.45Å; S386-D390 PolarHBondContact O-N 3.5Å |
| 391 | T | 95.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -91.6 | -47.2 | -172.5 | -54.2 | 0 | 0 | 0 | 0 | 113 | T264 P266 V387 I388 V389 E866 V867 | T264-T391 HydrophobicContact CG2-CG2 4.37Å; P266-T391 HydrophobicContact CB-CG2 4.22Å; P266-T391 HydrophobicContact CG-CG2 4.46Å; V387-T391 WeakPolarHBondContact O-CB 3.48Å; V387-T391 PolarHBondContact O-N 3.17Å; V387-T391 PolarHBondContact O-OG1 3.43Å; I388-T391 PolarHBondContact O-N 3.27Å; V389-T391 VanDerWaalsContact C-N 3.29Å; V389-T391 PolarHBondContact O-N 2.95Å; T391-E866 PolarHBondContact O-N 3.24Å; T391-V867 HydrophobicContact CG2-CB 3.93Å; T391-V867 HydrophobicContact CG2-CG2 3.59Å; T391-V867 PolarHBondContact O-N 3.4Å |
| 392 | F | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -115.6 | -13 | -164.3 | -58.3 | -79.2 | 0 | 0 | 0 | 115.2 | L261 T264 L267 L343 I388 G394 C416 P865 V867 I869 | L261-F392 HydrophobicContact CD2-CZ 4.14Å; T264-F392 HydrophobicContact CG2-CE1 4.06Å; T264-F392 HydrophobicContact CG2-CZ 3.84Å; L267-F392 HydrophobicContact CD1-CE2 4.42Å; L267-F392 HydrophobicContact CD2-CE2 4.11Å; L267-F392 HydrophobicContact CD2-CZ 4.11Å; L343-F392 HydrophobicContact CD2-CD1 4.47Å; L343-F392 HydrophobicContact CD2-CD2 3.78Å; L343-F392 HydrophobicContact CD2-CE2 3.84Å; L343-F392 HydrophobicContact CD2-CG 4.1Å; L343-F392 HydrophobicContact CD2-CZ 4.21Å; I388-F392 HydrophobicContact CD1-CD2 4.14Å; I388-F392 HydrophobicContact CD1-CE2 3.95Å; I388-F392 HydrophobicContact CG2-CD2 4.03Å; I388-F392 WeakPolarHBondContact O-CB 3.25Å; I388-F392 PolarHBondContact O-N 2.86Å; F392-G394 PolarHBondContact O-N 3.38Å; F392-C416 HydrophobicContact CB-CB 4.47Å; F392-C416 WeakPolarHBondContact O-CA 3.45Å; F392-P865 VanDerWaalsContact O-CB 3.28Å; F392-P865 WeakPolarHBondContact O-CB 3.5Å; F392-P865 WeakPolarHBondContact O-CG 3.24Å; F392-V867 HydrophobicContact CD1-CB 3.9Å; F392-V867 HydrophobicContact CD1-CG1 4.03Å; F392-V867 HydrophobicContact CE1-CB 3.87Å; F392-V867 HydrophobicContact CE1-CG1 3.68Å; F392-I869 HydrophobicContact CD1-CD1 3.63Å; F392-I869 HydrophobicContact CD1-CG1 4.08Å; F392-I869 HydrophobicContact CE1-CD1 3.72Å; F392-I869 HydrophobicContact CE1-CG1 4.23Å |
| 393 | H | 96.9 | Very high | 95.7 | Very high | 23 Ų | 23 | 22.9 Ų | 22.9 | 11% | 0.106 | 12% | 0.121 | C | C | . | . | trans | -84.4 | 119.4 | -173.4 | -75.8 | -141.3 | 0 | 0 | 0 | 113.2 | W377 H380 I388 V389 F415 | W377-H393 HydrophobicContact CH2-CB 3.81Å; W377-H393 HydrophobicContact CZ3-CB 4.12Å; H380-H393 AromaticContact NE2-CE1 3.36Å; H380-H393 PolarHBondContact NE2-CE1 2.61Å; H380-H393 AromaticContact NE2-ND1 3.3Å; H380-H393 PolarHBondContact NE2-ND1 3.33Å; I388-H393 PolarHBondContact O-CD2 3.39Å; V389-H393 HydrophobicContact CB-CB 4.47Å; V389-H393 HydrophobicContact CG1-CB 3.99Å; V389-H393 WeakPolarHBondContact O-CB 3.28Å; V389-H393 PolarHBondContact O-N 3.46Å; H393-F415 CarbonylContact C-O 3.58Å; H393-F415 VanDerWaalsContact CA-O 3.27Å; H393-F415 WeakPolarHBondContact CA-O 3.38Å | ||
| 394 | G | 94.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -171.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F392 P414 F415 S863 | F392-G394 PolarHBondContact O-N 3.38Å; G394-P414 WeakPolarHBondContact O-CA 3.44Å; G394-F415 PolarHBondContact N-O 2.96Å; G394-F415 PolarHBondContact O-N 3.49Å; G394-F415 VanDerWaalsContact O-N 3.12Å; G394-S863 CarbonylContact C-O 3.58Å; G394-S863 VanDerWaalsContact CA-O 3.26Å; G394-S863 WeakPolarHBondContact CA-O 3.34Å |
| 395 | L | 95.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 129.5 | 176.8 | -160.8 | 72.3 | 0 | 0 | 0 | 110.2 | A373 W377 F412 P414 F415 W862 S863 | A373-L395 HydrophobicContact CB-CD2 3.98Å; W377-L395 HydrophobicContact CE3-CD1 4.31Å; L395-F412 HydrophobicContact CD1-CB 4.42Å; L395-F412 HydrophobicContact CD2-CB 4.05Å; L395-F412 HydrophobicContact CD2-CD1 4.06Å; L395-F412 HydrophobicContact CD2-CG 4.48Å; L395-F412 HydrophobicContact CG-CB 4.25Å; L395-F412 HydrophobicContact CG-CD1 4.48Å; L395-P414 HydrophobicContact CD1-CB 4.39Å; L395-F415 VanDerWaalsContact N-CE1 3.3Å; L395-W862 HydrophobicContact CD2-CG 4.46Å; L395-W862 WeakPolarHBondContact O-CB 3.31Å; L395-W862 PolarHBondContact O-N 2.96Å; L395-S863 VanDerWaalsContact CB-OG 3.27Å; L395-S863 WeakPolarHBondContact CB-OG 3.34Å; L395-S863 PolarHBondContact N-O 2.91Å; L395-S863 PolarHBondContact O-N 3.24Å |
| 396 | F | 94.8 | Very high | 95.7 | Very high | 22 Ų | 22 | 30.2 Ų | 30.2 | 10% | 0.096 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 156.9 | 165.4 | -63.2 | -52.3 | 0 | 0 | 0 | 110.7 | F412 D413 F415 L418 F832 D860 L861 | F396-F412 CarbonylContact O-C 3.59Å; F396-F412 VanDerWaalsContact O-CA 3.25Å; F396-F412 WeakPolarHBondContact O-CA 3.48Å; F396-F412 WeakPolarHBondContact O-CD1 3.27Å; F396-D413 PolarHBondContact N-O 3.18Å; F396-D413 PolarHBondContact O-N 3.36Å; F396-F415 AromaticContact CD1-CD1 3.66Å; F396-F415 HydrophobicContact CD1-CD1 3.66Å; F396-F415 AromaticContact CD1-CE1 3.75Å; F396-F415 HydrophobicContact CD1-CE1 3.75Å; F396-F415 HydrophobicContact CD2-CB 3.96Å; F396-F415 AromaticContact CD2-CD1 3.68Å; F396-F415 HydrophobicContact CD2-CD1 3.68Å; F396-F415 HydrophobicContact CD2-CG 4.12Å; F396-F415 AromaticContact CE1-CD1 3.53Å; F396-F415 HydrophobicContact CE1-CD1 3.53Å; F396-F415 AromaticContact CE1-CE1 3.63Å; F396-F415 HydrophobicContact CE1-CE1 3.63Å; F396-F415 HydrophobicContact CE1-CG 4.03Å; F396-F415 HydrophobicContact CE1-CZ 4.23Å; F396-F415 HydrophobicContact CE2-CB 3.39Å; F396-F415 AromaticContact CE2-CD1 3.58Å; F396-F415 HydrophobicContact CE2-CD1 3.58Å; F396-F415 HydrophobicContact CE2-CE1 4.5Å; F396-F415 AromaticContact CE2-CG 3.6Å; F396-F415 HydrophobicContact CE2-CG 3.6Å; F396-F415 AromaticContact CG-CD1 3.72Å; F396-F415 HydrophobicContact CG-CD1 3.72Å; F396-F415 HydrophobicContact CG-CE1 4.22Å; F396-F415 HydrophobicContact CZ-CB 3.82Å; F396-F415 AromaticContact CZ-CD1 3.49Å; F396-F415 HydrophobicContact CZ-CD1 3.49Å; F396-F415 VanDerWaalsContact CZ-CD1 3.49Å; F396-F415 HydrophobicContact CZ-CD2 4.11Å; F396-F415 HydrophobicContact CZ-CE1 4.03Å; F396-F415 AromaticContact CZ-CG 3.53Å; F396-F415 HydrophobicContact CZ-CG 3.53Å; F396-L418 HydrophobicContact CE1-CD2 3.45Å; F396-L418 VanDerWaalsContact CE1-CD2 3.45Å; F396-L418 HydrophobicContact CZ-CD2 3.49Å; F396-L418 VanDerWaalsContact CZ-CD2 3.49Å; F396-F832 HydrophobicContact CD1-CE1 4.34Å; F396-F832 AromaticContact CE1-CE1 3.56Å; F396-F832 HydrophobicContact CE1-CE1 3.56Å; F396-F832 AromaticContact CE1-CZ 3.77Å; F396-F832 HydrophobicContact CE1-CZ 3.77Å; F396-F832 HydrophobicContact CE2-CZ 4.35Å; F396-F832 AromaticContact CZ-CE1 3.88Å; F396-F832 HydrophobicContact CZ-CE1 3.88Å; F396-F832 AromaticContact CZ-CZ 3.56Å; F396-F832 HydrophobicContact CZ-CZ 3.56Å; F396-D860 CarbonylContact C-O 3.59Å; F396-D860 WeakPolarHBondContact CA-O 3.28Å; F396-L861 HydrophobicContact CD1-CD2 3.97Å; F396-L861 HydrophobicContact CE1-CD2 3.73Å |
| 397 | K | 94.9 | Very high | 95.5 | Very high | 26 Ų | 26 | 32.2 Ų | 32.2 | 11% | 0.113 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118.1 | 150.5 | -178.2 | -173.7 | -173.8 | 179.2 | 0 | 108 | D369 V410 F412 D860 L903 | D369-K397 WeakPolarHBondContact OD1-CE 3.43Å; D369-K397 IonicContact OD1-NZ 2.7Å; D369-K397 PolarHBondContact OD1-NZ 3.34Å; D369-K397 IonicContact OD2-NZ 2.63Å; D369-K397 PolarHBondContact OD2-NZ 3.1Å; K397-V410 HydrophobicContact CD-CG1 4.36Å; K397-V410 HydrophobicContact CG-CG1 4.02Å; K397-F412 HydrophobicContact CB-CD1 3.99Å; K397-F412 HydrophobicContact CB-CE1 3.54Å; K397-F412 HydrophobicContact CB-CZ 4.01Å; K397-F412 HydrophobicContact CD-CE1 4.19Å; K397-F412 HydrophobicContact CD-CZ 3.85Å; K397-F412 HydrophobicContact CG-CD1 4.37Å; K397-F412 HydrophobicContact CG-CE1 3.74Å; K397-F412 HydrophobicContact CG-CE2 4.21Å; K397-F412 HydrophobicContact CG-CZ 3.65Å; K397-D860 HydrophobicContact CB-CB 4.12Å; K397-D860 PolarHBondContact N-O 3.45Å; K397-D860 PolarHBondContact O-N 2.86Å; K397-L903 HydrophobicContact CB-CD1 4.3Å; K397-L903 HydrophobicContact CD-CD1 3.63Å |
| 398 | S | 95.1 | Very high | 95.4 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 8% | 0.084 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127.3 | 172.2 | -56.5 | 0 | 0 | 0 | 0 | 109.3 | V410 T411 D413 L859 | S398-V410 WeakPolarHBondContact O-CA 3.31Å; S398-T411 WeakPolarHBondContact CB-OG1 3.37Å; S398-T411 PolarHBondContact N-O 3.45Å; S398-T411 PolarHBondContact O-N 3.19Å; S398-D413 WeakPolarHBondContact CB-OD2 3.34Å; S398-D413 PolarHBondContact OG-OD2 3.48Å; S398-L859 WeakPolarHBondContact OG-CD2 3.23Å |
| 399 | T | 95 | Very high | 95.2 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 17% | 0.172 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120.4 | 174.3 | -56.4 | 0 | 0 | 0 | 0 | 109.5 | V401 V408 V410 K857 K858 | T399-V401 HydrophobicContact CG2-CG2 4.44Å; T399-V408 HydrophobicContact CG2-CG1 3.78Å; T399-V410 HydrophobicContact CG2-CG2 4.22Å; T399-K857 CarbonylContact O-C 3.56Å; T399-K857 WeakPolarHBondContact O-CA 3.4Å; T399-K858 PolarHBondContact N-O 3.36Å; T399-K858 PolarHBondContact O-N 3.2Å |
| 400 | L | 95 | Very high | 95.1 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 13% | 0.126 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134.7 | 178.4 | -77.1 | 158.1 | 0 | 0 | 0 | 110 | V408 S409 L838 W844 A855 T856 K857 | L400-V408 CarbonylContact O-C 3.58Å; L400-V408 WeakPolarHBondContact O-CA 3.41Å; L400-S409 PolarHBondContact N-O 3.4Å; L400-S409 PolarHBondContact O-N 2.91Å; L400-L838 HydrophobicContact CD2-CD1 4.09Å; L400-W844 HydrophobicContact CD1-CG 4.26Å; L400-W844 HydrophobicContact CD2-CG 4.48Å; L400-A855 HydrophobicContact CD2-CB 4.08Å; L400-T856 CarbonylContact C-O 3.56Å; L400-T856 WeakPolarHBondContact CA-O 3.39Å; L400-K857 HydrophobicContact CD2-CB 3.73Å; L400-K857 HydrophobicContact CD2-CD 4.34Å; L400-K857 HydrophobicContact CD2-CG 4.01Å |
| 401 | V | 96.1 | Very high | 95.1 | Very high | 44 Ų | 44 | 35 Ų | 35 | 27% | 0.267 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 125.4 | 179.6 | -168.7 | 0 | 0 | 0 | 0 | 111.1 | T399 K407 V408 A855 T856 | T399-V401 HydrophobicContact CG2-CG2 4.44Å; V401-K407 WeakPolarHBondContact CA-O 3.24Å; V401-V408 HydrophobicContact CG1-CG2 4.39Å; V401-V408 HydrophobicContact CG2-CG1 4.4Å; V401-V408 HydrophobicContact CG2-CG2 4.24Å; V401-A855 WeakPolarHBondContact O-CA 3.13Å; V401-A855 WeakPolarHBondContact O-CB 3.43Å; V401-T856 PolarHBondContact N-O 3.02Å; V401-T856 PolarHBondContact O-N 2.89Å; V401-T856 VanDerWaalsContact O-N 3.11Å |
| 402 | C | 95.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | trans | -71.9 | 131.2 | 178.2 | -169.2 | 0 | 0 | 0 | 0 | 112.1 | E404 C405 H406 K407 W844 C846 | C402-E404 VanDerWaalsContact C-N 3.32Å; C402-E404 PolarHBondContact O-N 3.1Å; C402-C405 VanDerWaalsContact CB-SG 3.57Å; C402-H406 VanDerWaalsContact O-CA 3.26Å; C402-H406 WeakPolarHBondContact O-CA 3.21Å; C402-H406 PolarHBondContact O-N 3.49Å; C402-H406 PolarHBondContact O-ND1 3.45Å; C402-K407 PolarHBondContact N-O 3Å; C402-W844 HydrophobicContact CB-CZ3 3.99Å; C402-C846 VanDerWaalsContact SG-SG 3.64Å | ||
| 403 | P | 95.3 | Very high | 94.9 | Very high | 69 Ų | 69 | 37.4 Ų | 37.4 | 45% | 0.448 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -27.4 | 177.2 | 28.7 | -36.8 | 0 | 0 | 0 | 113.2 | H406 Q853 L854 | P403-H406 PolarHBondContact O-CE1 2.8Å; P403-Q853 HydrophobicContact CG-CB 4.39Å; P403-L854 WeakPolarHBondContact CG-O 3.27Å |
| 404 | E | 94.8 | Very high | 94.8 | Very high | 110 Ų | 110 | 38.7 Ų | 38.7 | 51% | 0.514 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -50.1 | -175.6 | -68.8 | -173.1 | 158.1 | 0 | 0 | 114.4 | C402 K851 Q853 | C402-E404 VanDerWaalsContact C-N 3.32Å; C402-E404 PolarHBondContact O-N 3.1Å; E404-K851 IonicContact OE1-NZ 2.74Å; E404-K851 PolarHBondContact OE1-NZ 2.71Å; E404-K851 WeakPolarHBondContact OE2-CE 3.18Å; E404-K851 IonicContact OE2-NZ 2.75Å; E404-K851 PolarHBondContact OE2-NZ 2.66Å; E404-Q853 PolarHBondContact OE2-NE2 3.4Å |
| 405 | C | 95.3 | Very high | 94.9 | Very high | 47 Ų | 47 | 39.3 Ų | 39.3 | 32% | 0.318 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -4.2 | -176.5 | 73.3 | 0 | 0 | 0 | 0 | 114 | C402 K407 V848 | C402-C405 VanDerWaalsContact CB-SG 3.57Å; C405-K407 PolarHBondContact O-N 2.89Å; C405-V848 HydrophobicContact CB-CG1 4.07Å |
| 406 | H | 94.6 | Very high | 94.9 | Very high | 133 Ų | 133 | 40.4 Ų | 40.4 | 62% | 0.616 | 22% | 0.223 | S | C | * | . | trans | 52.7 | 21.7 | -177.4 | -49.6 | -39.3 | 0 | 0 | 0 | 115.4 | C402 P403 V408 | C402-H406 VanDerWaalsContact O-CA 3.26Å; C402-H406 WeakPolarHBondContact O-CA 3.21Å; C402-H406 PolarHBondContact O-N 3.49Å; C402-H406 PolarHBondContact O-ND1 3.45Å; P403-H406 PolarHBondContact O-CE1 2.8Å; H406-V408 PolarHBondContact O-N 3.29Å; H406-V408 VanDerWaalsContact O-N 3.16Å | ||
| 407 | K | 93.4 | Very high | 95 | Very high | 42 Ų | 42 | 42 Ų | 42 | 18% | 0.183 | 23% | 0.229 | C | C | . | . | trans | -57.4 | 123.9 | 163.5 | 172.3 | 168.3 | 165.5 | 58.9 | 0 | 108.1 | D363 D365 V401 C402 C405 P847 V848 | D363-K407 WeakPolarHBondContact OD2-CE 3.31Å; D363-K407 IonicContact OD2-NZ 3.79Å; D363-K407 PolarHBondContact OD2-NZ 2.8Å; D365-K407 IonicContact OD1-NZ 2.78Å; V401-K407 WeakPolarHBondContact CA-O 3.24Å; C402-K407 PolarHBondContact N-O 3Å; C405-K407 PolarHBondContact O-N 2.89Å; K407-P847 HydrophobicContact CD-CG 4.27Å; K407-V848 HydrophobicContact CB-CG2 4.25Å; K407-V848 HydrophobicContact CD-CG2 3.72Å | ||
| 408 | V | 94.3 | Very high | 95.1 | Very high | 77 Ų | 77 | 40.8 Ų | 40.8 | 47% | 0.467 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 136.8 | 159.8 | -171.3 | 0 | 0 | 0 | 0 | 107.8 | T399 L400 V401 H406 V410 | T399-V408 HydrophobicContact CG2-CG1 3.78Å; L400-V408 CarbonylContact O-C 3.58Å; L400-V408 WeakPolarHBondContact O-CA 3.41Å; V401-V408 HydrophobicContact CG1-CG2 4.39Å; V401-V408 HydrophobicContact CG2-CG1 4.4Å; V401-V408 HydrophobicContact CG2-CG2 4.24Å; H406-V408 PolarHBondContact O-N 3.29Å; H406-V408 VanDerWaalsContact O-N 3.16Å; V408-V410 HydrophobicContact CG1-CG2 4.05Å |
| 409 | S | 93.8 | Very high | 95.1 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 10% | 0.098 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.1 | 173.8 | -168.5 | 0 | 0 | 0 | 0 | 106.9 | D363 L400 | D363-S409 WeakPolarHBondContact OD2-CA 3.49Å; D363-S409 WeakPolarHBondContact OD2-CB 3.45Å; D363-S409 PolarHBondContact OD2-OG 2.91Å; L400-S409 PolarHBondContact N-O 3.4Å; L400-S409 PolarHBondContact O-N 2.91Å |
| 410 | V | 94.9 | Very high | 95.1 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 10% | 0.097 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 121.1 | -177.5 | 174 | 0 | 0 | 0 | 0 | 109.4 | D363 A364 K397 S398 T399 V408 F412 | D363-V410 PolarHBondContact OD1-N 3.29Å; A364-V410 HydrophobicContact CB-CB 3.8Å; A364-V410 HydrophobicContact CB-CG1 4.08Å; A364-V410 PolarHBondContact N-O 2.84Å; K397-V410 HydrophobicContact CD-CG1 4.36Å; K397-V410 HydrophobicContact CG-CG1 4.02Å; S398-V410 WeakPolarHBondContact O-CA 3.31Å; T399-V410 HydrophobicContact CG2-CG2 4.22Å; V408-V410 HydrophobicContact CG1-CG2 4.05Å; V410-F412 HydrophobicContact CG1-CD2 4.46Å; V410-F412 HydrophobicContact CG1-CE2 3.91Å |
| 411 | T | 94 | Very high | 94.9 | Very high | 40 Ų | 40 | 40.3 Ų | 40.3 | 25% | 0.245 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 161.6 | 174.4 | 54 | 0 | 0 | 0 | 0 | 110.4 | S398 D413 | S398-T411 WeakPolarHBondContact CB-OG1 3.37Å; S398-T411 PolarHBondContact N-O 3.45Å; S398-T411 PolarHBondContact O-N 3.19Å; T411-D413 WeakPolarHBondContact CB-OD2 3.27Å; T411-D413 PolarHBondContact OG1-OD2 3.03Å |
| 412 | F | 95.2 | Very high | 94.6 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 4% | 0.044 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 111 | 176.3 | -78.1 | -90.6 | 0 | 0 | 0 | 108.6 | D369 V372 A373 A376 L395 F396 K397 V410 W862 | D369-F412 HydrophobicContact CB-CZ 3.82Å; V372-F412 HydrophobicContact CB-CD2 3.96Å; V372-F412 HydrophobicContact CB-CE2 3.93Å; V372-F412 HydrophobicContact CG1-CD2 3.71Å; V372-F412 HydrophobicContact CG1-CE2 4.09Å; A373-F412 HydrophobicContact CB-CD1 3.59Å; A373-F412 HydrophobicContact CB-CD2 4.38Å; A373-F412 HydrophobicContact CB-CE1 3.72Å; A373-F412 HydrophobicContact CB-CE2 4.5Å; A373-F412 HydrophobicContact CB-CG 3.93Å; A373-F412 HydrophobicContact CB-CZ 4.18Å; A376-F412 HydrophobicContact CB-CB 3.68Å; A376-F412 WeakPolarHBondContact CB-O 3.45Å; L395-F412 HydrophobicContact CD1-CB 4.42Å; L395-F412 HydrophobicContact CD2-CB 4.05Å; L395-F412 HydrophobicContact CD2-CD1 4.06Å; L395-F412 HydrophobicContact CD2-CG 4.48Å; L395-F412 HydrophobicContact CG-CB 4.25Å; L395-F412 HydrophobicContact CG-CD1 4.48Å; F396-F412 CarbonylContact O-C 3.59Å; F396-F412 VanDerWaalsContact O-CA 3.25Å; F396-F412 WeakPolarHBondContact O-CA 3.48Å; F396-F412 WeakPolarHBondContact O-CD1 3.27Å; K397-F412 HydrophobicContact CB-CD1 3.99Å; K397-F412 HydrophobicContact CB-CE1 3.54Å; K397-F412 HydrophobicContact CB-CZ 4.01Å; K397-F412 HydrophobicContact CD-CE1 4.19Å; K397-F412 HydrophobicContact CD-CZ 3.85Å; K397-F412 HydrophobicContact CG-CD1 4.37Å; K397-F412 HydrophobicContact CG-CE1 3.74Å; K397-F412 HydrophobicContact CG-CE2 4.21Å; K397-F412 HydrophobicContact CG-CZ 3.65Å; V410-F412 HydrophobicContact CG1-CD2 4.46Å; V410-F412 HydrophobicContact CG1-CE2 3.91Å; F412-W862 HydrophobicContact CD1-CB 4.36Å; F412-W862 HydrophobicContact CD1-CD2 4.35Å; F412-W862 HydrophobicContact CD1-CG 4.13Å; F412-W862 HydrophobicContact CE1-CB 4.25Å; F412-W862 AromaticContact CE1-CD2 3.63Å; F412-W862 HydrophobicContact CE1-CD2 3.63Å; F412-W862 AromaticContact CE1-CE3 3.71Å; F412-W862 HydrophobicContact CE1-CE3 3.71Å; F412-W862 AromaticContact CE1-CG 3.86Å; F412-W862 HydrophobicContact CE1-CG 3.86Å; F412-W862 HydrophobicContact CE1-CZ3 4.34Å; F412-W862 HydrophobicContact CZ-CE3 4.32Å |
| 413 | D | 93.8 | Very high | 94 | Very high | 44 Ų | 44 | 41 Ų | 41 | 24% | 0.235 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.9 | -158.7 | -56.9 | -61.9 | 0 | 0 | 0 | 110.2 | F396 S398 T411 | F396-D413 PolarHBondContact N-O 3.18Å; F396-D413 PolarHBondContact O-N 3.36Å; S398-D413 WeakPolarHBondContact CB-OD2 3.34Å; S398-D413 PolarHBondContact OG-OD2 3.48Å; T411-D413 WeakPolarHBondContact CB-OD2 3.27Å; T411-D413 PolarHBondContact OG1-OD2 3.03Å |
| 414 | P | 95.8 | Very high | 92.8 | Very high | 50 Ų | 50 | 41.9 Ų | 41.9 | 33% | 0.325 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 147.2 | -176.8 | 30.7 | -34.9 | 0 | 0 | 0 | 111.5 | H380 G394 L395 | H380-P414 WeakPolarHBondContact CE1-CG 3.45Å; G394-P414 WeakPolarHBondContact O-CA 3.44Å; L395-P414 HydrophobicContact CD1-CB 4.39Å |
| 415 | F | 96.3 | Very high | 91.5 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 148.7 | 178.3 | 72.6 | -96.4 | 0 | 0 | 0 | 111.6 | H393 G394 L395 F396 L418 L864 L868 | H393-F415 CarbonylContact C-O 3.58Å; H393-F415 VanDerWaalsContact CA-O 3.27Å; H393-F415 WeakPolarHBondContact CA-O 3.38Å; G394-F415 PolarHBondContact N-O 2.96Å; G394-F415 PolarHBondContact O-N 3.49Å; G394-F415 VanDerWaalsContact O-N 3.12Å; L395-F415 VanDerWaalsContact N-CE1 3.3Å; F396-F415 AromaticContact CD1-CD1 3.66Å; F396-F415 HydrophobicContact CD1-CD1 3.66Å; F396-F415 AromaticContact CD1-CE1 3.75Å; F396-F415 HydrophobicContact CD1-CE1 3.75Å; F396-F415 HydrophobicContact CD2-CB 3.96Å; F396-F415 AromaticContact CD2-CD1 3.68Å; F396-F415 HydrophobicContact CD2-CD1 3.68Å; F396-F415 HydrophobicContact CD2-CG 4.12Å; F396-F415 AromaticContact CE1-CD1 3.53Å; F396-F415 HydrophobicContact CE1-CD1 3.53Å; F396-F415 AromaticContact CE1-CE1 3.63Å; F396-F415 HydrophobicContact CE1-CE1 3.63Å; F396-F415 HydrophobicContact CE1-CG 4.03Å; F396-F415 HydrophobicContact CE1-CZ 4.23Å; F396-F415 HydrophobicContact CE2-CB 3.39Å; F396-F415 AromaticContact CE2-CD1 3.58Å; F396-F415 HydrophobicContact CE2-CD1 3.58Å; F396-F415 HydrophobicContact CE2-CE1 4.5Å; F396-F415 AromaticContact CE2-CG 3.6Å; F396-F415 HydrophobicContact CE2-CG 3.6Å; F396-F415 AromaticContact CG-CD1 3.72Å; F396-F415 HydrophobicContact CG-CD1 3.72Å; F396-F415 HydrophobicContact CG-CE1 4.22Å; F396-F415 HydrophobicContact CZ-CB 3.82Å; F396-F415 AromaticContact CZ-CD1 3.49Å; F396-F415 HydrophobicContact CZ-CD1 3.49Å; F396-F415 VanDerWaalsContact CZ-CD1 3.49Å; F396-F415 HydrophobicContact CZ-CD2 4.11Å; F396-F415 HydrophobicContact CZ-CE1 4.03Å; F396-F415 AromaticContact CZ-CG 3.53Å; F396-F415 HydrophobicContact CZ-CG 3.53Å; F415-L418 HydrophobicContact CD2-CD2 3.84Å; F415-L418 HydrophobicContact CE1-CD2 4.39Å; F415-L418 HydrophobicContact CE2-CD2 3.5Å; F415-L418 VanDerWaalsContact CE2-CD2 3.5Å; F415-L418 HydrophobicContact CE2-CG 4.1Å; F415-L418 HydrophobicContact CG-CD2 4.45Å; F415-L418 HydrophobicContact CZ-CD2 3.8Å; F415-L864 HydrophobicContact CZ-CD2 3.89Å; F415-L868 HydrophobicContact CE2-CD1 4.06Å |
| 416 | C | 95.8 | Very high | 90.4 | Very high | 26 Ų | 26 | 46 Ų | 46 | 18% | 0.176 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -107.4 | -10.7 | 175.6 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | L343 F392 | L343-C416 HydrophobicContact CD1-CB 4.48Å; F392-C416 HydrophobicContact CB-CB 4.47Å; F392-C416 WeakPolarHBondContact O-CA 3.45Å |
| 417 | Y | 96.6 | Very high | 89.6 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 21% | 0.212 | 25% | 0.248 | C | C | . | . | trans | -155.2 | 162.1 | 171.9 | 56.6 | -96.2 | 0 | 0 | 0 | 111.6 | Q336 S340 L343 S419 I869 | Q336-Y417 PolarHBondContact NE2-OH 3.5Å; S340-Y417 PolarHBondContact OG-OH 3.3Å; L343-Y417 HydrophobicContact CD1-CD1 4.22Å; Y417-S419 WeakPolarHBondContact CE2-OG 3.46Å; Y417-I869 CarbonylContact C-O 3.59Å; Y417-I869 WeakPolarHBondContact CA-O 3.46Å | ||
| 418 | L | 95.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 118.4 | 172.6 | -57.5 | -176.5 | 0 | 0 | 0 | 110.2 | F396 F415 V420 F832 L861 L868 I869 I870 H871 | F396-L418 HydrophobicContact CE1-CD2 3.45Å; F396-L418 VanDerWaalsContact CE1-CD2 3.45Å; F396-L418 HydrophobicContact CZ-CD2 3.49Å; F396-L418 VanDerWaalsContact CZ-CD2 3.49Å; F415-L418 HydrophobicContact CD2-CD2 3.84Å; F415-L418 HydrophobicContact CE1-CD2 4.39Å; F415-L418 HydrophobicContact CE2-CD2 3.5Å; F415-L418 VanDerWaalsContact CE2-CD2 3.5Å; F415-L418 HydrophobicContact CE2-CG 4.1Å; F415-L418 HydrophobicContact CG-CD2 4.45Å; F415-L418 HydrophobicContact CZ-CD2 3.8Å; L418-V420 HydrophobicContact CB-CG1 4.23Å; L418-F832 HydrophobicContact CD2-CE1 4.44Å; L418-L861 HydrophobicContact CD1-CD2 4.49Å; L418-L861 HydrophobicContact CD2-CD2 4.18Å; L418-L868 HydrophobicContact CD1-CD1 3.94Å; L418-L868 HydrophobicContact CD1-CD2 4.29Å; L418-L868 HydrophobicContact CD1-CG 4.48Å; L418-L868 HydrophobicContact CG-CD1 3.96Å; L418-I869 PolarHBondContact N-O 3.18Å; L418-I870 HydrophobicContact CB-CG2 4.44Å; L418-I870 HydrophobicContact CD1-CG1 4.48Å; L418-I870 CarbonylContact O-C 3.51Å; L418-I870 WeakPolarHBondContact O-CA 3.36Å; L418-H871 PolarHBondContact O-N 2.95Å |
| 419 | S | 95.8 | Very high | 88.4 | Confident | 20 Ų | 20 | 44.5 Ų | 44.5 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 84.2 | 171.5 | -71.9 | 0 | 0 | 0 | 0 | 110.4 | Y417 H871 K873 | Y417-S419 WeakPolarHBondContact CE2-OG 3.46Å; S419-H871 CarbonylContact C-O 3.54Å; S419-H871 WeakPolarHBondContact CA-O 2.97Å; S419-H871 PolarHBondContact OG-ND1 3.05Å; S419-K873 WeakPolarHBondContact O-CE 3.44Å |
| 420 | V | 94.4 | Very high | 88 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 136.2 | -173.6 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | L418 C828 I829 F832 I870 H871 L872 K873 | L418-V420 HydrophobicContact CB-CG1 4.23Å; V420-C828 HydrophobicContact CB-CB 4.13Å; V420-C828 HydrophobicContact CG2-CB 3.87Å; V420-I829 HydrophobicContact CG1-CG1 4.38Å; V420-F832 HydrophobicContact CB-CB 4.45Å; V420-F832 HydrophobicContact CG1-CB 4.08Å; V420-F832 HydrophobicContact CG1-CD2 4.34Å; V420-F832 HydrophobicContact CG1-CG 4.23Å; V420-I870 HydrophobicContact CG1-CG2 4.13Å; V420-I870 HydrophobicContact CG2-CG2 3.87Å; V420-H871 PolarHBondContact N-O 3.13Å; V420-L872 HydrophobicContact CG2-CD2 3.69Å; V420-K873 WeakPolarHBondContact O-CB 3.49Å; V420-K873 WeakPolarHBondContact O-CG 3.29Å; V420-K873 PolarHBondContact O-N 3.17Å |
| 421 | P | 92.1 | Very high | 87.9 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 23% | 0.227 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 151 | 172.5 | 32.3 | -34.3 | 0 | 0 | 0 | 111.1 | C828 L831 | P421-C828 WeakPolarHBondContact O-CB 3.44Å; P421-L831 HydrophobicContact CB-CD2 4.03Å; P421-L831 HydrophobicContact CB-CG 4.4Å; P421-L831 HydrophobicContact CG-CB 4.13Å; P421-L831 HydrophobicContact CG-CD2 3.82Å; P421-L831 HydrophobicContact CG-CG 3.69Å |
| 422 | L | 89.3 | Confident | 87.9 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -96.3 | 142.2 | 171.1 | -66.4 | 168 | 0 | 0 | 0 | 109.6 | V424 R874 L885 V889 | L422-V424 WeakPolarHBondContact O-CG2 3.47Å; L422-V424 PolarHBondContact O-N 2.93Å; L422-R874 HydrophobicContact CD1-CB 4.44Å; L422-R874 HydrophobicContact CD1-CG 3.75Å; L422-L885 HydrophobicContact CB-CD1 3.88Å; L422-L885 HydrophobicContact CD1-CB 3.85Å; L422-L885 HydrophobicContact CD1-CD1 4Å; L422-V889 HydrophobicContact CD2-CG2 3.4Å; L422-V889 VanDerWaalsContact CD2-CG2 3.4Å |
| 423 | P | 81.8 | Confident | 87.8 | Confident | 52 Ų | 52 | 46 Ų | 46 | 34% | 0.338 | 24% | 0.244 | S | C | . | . | trans | -59.4 | 105.9 | 170.6 | -25 | 35.7 | 0 | 0 | 0 | 111.2 | S425 V823 L831 | P423-S425 PolarHBondContact O-N 2.97Å; P423-V823 HydrophobicContact CG-CG1 3.76Å; P423-V823 HydrophobicContact CG-CG2 4.25Å; P423-L831 HydrophobicContact CG-CD2 4.3Å | ||
| 424 | V | 71.1 | Confident | 87.9 | Confident | 88 Ų | 88 | 44.5 Ų | 44.5 | 53% | 0.533 | 24% | 0.235 | S | C | . | . | trans | -78.8 | 120.4 | -178.9 | -171.9 | 0 | 0 | 0 | 0 | 109.6 | L422 K426 L885 | L422-V424 WeakPolarHBondContact O-CG2 3.47Å; L422-V424 PolarHBondContact O-N 2.93Å; V424-K426 PolarHBondContact O-N 3.42Å; V424-L885 HydrophobicContact CG2-CD1 4.2Å | ||
| 425 | S | 67.4 | Low | 87.8 | Confident | 62 Ų | 62 | 42.8 Ų | 42.8 | 43% | 0.434 | 22% | 0.224 | S | C | . | . | trans | -58.4 | 129.5 | 168.7 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | P423 E427 | P423-S425 PolarHBondContact O-N 2.97Å; S425-E427 WeakPolarHBondContact CB-O 3.48Å; S425-E427 PolarHBondContact O-N 3.44Å; S425-E427 PolarHBondContact OG-N 3.4Å; S425-E427 VanDerWaalsContact OG-N 3.08Å; S425-E427 PolarHBondContact OG-O 2.83Å | ||
| 426 | K | 71.9 | Confident | 87.6 | Confident | 182 Ų | 182 | 43.7 Ų | 43.7 | 79% | 0.791 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -72.5 | -11.6 | 171.3 | -64.3 | -176 | -179.8 | -179.2 | 0 | 112.4 | V424 P451 K452 | V424-K426 PolarHBondContact O-N 3.42Å; K426-P451 CarbonylContact O-C 3.59Å; K426-P451 WeakPolarHBondContact O-CA 3.34Å; K426-K452 PolarHBondContact O-N 2.94Å |
| 427 | E | 78.5 | Confident | 87.2 | Confident | 119 Ų | 119 | 45.3 Ų | 45.3 | 56% | 0.556 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 143.8 | -177.1 | -68.4 | 167.1 | -164.7 | 0 | 0 | 110.9 | S425 V449 V450 | S425-E427 WeakPolarHBondContact CB-O 3.48Å; S425-E427 PolarHBondContact O-N 3.44Å; S425-E427 PolarHBondContact OG-N 3.4Å; S425-E427 VanDerWaalsContact OG-N 3.08Å; S425-E427 PolarHBondContact OG-O 2.83Å; E427-V449 HydrophobicContact CB-CG1 3.78Å; E427-V449 HydrophobicContact CG-CG1 4.2Å; E427-V449 WeakPolarHBondContact OE2-CG1 3.45Å; E427-V450 CarbonylContact C-O 3.58Å; E427-V450 VanDerWaalsContact CA-O 3.31Å; E427-V450 WeakPolarHBondContact CA-O 3.42Å |
| 428 | R | 77.8 | Confident | 86.8 | Confident | 33 Ų | 33 | 46.3 Ų | 46.3 | 13% | 0.125 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 141.6 | 172.9 | -176.4 | -179.7 | -179.6 | -169.6 | 3.3 | 108.2 | M430 V449 V450 K452 L494 I497 D499 | R428-M430 HydrophobicContact CG-CG 4.05Å; R428-V449 WeakPolarHBondContact O-CA 3.43Å; R428-V450 HydrophobicContact CB-CG2 4.36Å; R428-V450 PolarHBondContact N-O 3.14Å; R428-V450 PolarHBondContact O-N 2.7Å; R428-K452 HydrophobicContact CB-CG 3.85Å; R428-L494 PolarHBondContact NH1-O 3.08Å; R428-I497 VanDerWaalsContact CZ-O 3.29Å; R428-I497 PolarHBondContact NH1-O 3.06Å; R428-I497 PolarHBondContact NH2-O 2.8Å; R428-D499 IonicContact CZ-OD1 3.18Å; R428-D499 VanDerWaalsContact CZ-OD1 3.24Å; R428-D499 IonicContact NE-OD1 2.74Å; R428-D499 PolarHBondContact NE-OD1 3.32Å; R428-D499 IonicContact NH2-OD1 3.41Å; R428-D499 PolarHBondContact NH2-OD1 2.84Å; R428-D499 IonicContact NH2-OD2 3.27Å; R428-D499 PolarHBondContact NH2-OD2 3.33Å |
| 429 | V | 84.2 | Confident | 86.2 | Confident | 68 Ų | 68 | 47.3 Ų | 47.3 | 41% | 0.412 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 129.8 | 167.4 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | R447 V448 V449 | V429-R447 HydrophobicContact CG1-CG 3.37Å; V429-V448 WeakPolarHBondContact CA-O 3.48Å; V429-V449 HydrophobicContact CG2-CG2 4.44Å |
| 430 | M | 86.6 | Confident | 85.8 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 4% | 0.044 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 149.5 | 175.1 | -65.5 | 179.2 | 62.5 | 0 | 0 | 110 | R428 R447 V448 V450 L459 L494 I497 | R428-M430 HydrophobicContact CG-CG 4.05Å; M430-R447 WeakPolarHBondContact O-CA 3.05Å; M430-V448 HydrophobicContact CB-CG2 4.05Å; M430-V448 PolarHBondContact N-O 2.74Å; M430-V448 WeakPolarHBondContact O-CG2 3.45Å; M430-V448 PolarHBondContact O-N 3.34Å; M430-V450 HydrophobicContact CG-CG2 4.05Å; M430-V450 HydrophobicContact SD-CG2 3.63Å; M430-L459 HydrophobicContact CE-CD2 4.22Å; M430-L494 HydrophobicContact SD-CD2 4.35Å; M430-I497 HydrophobicContact CE-CB 4.08Å; M430-I497 HydrophobicContact CE-CD1 4.01Å; M430-I497 HydrophobicContact CE-CG2 3.5Å |
| 431 | E | 90.8 | Very high | 85.5 | Confident | 76 Ų | 76 | 53.8 Ų | 53.8 | 36% | 0.355 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.5 | 171.5 | -57.3 | -164 | 170.6 | 0 | 0 | 108.5 | Q445 H446 R447 M814 | E431-Q445 PolarHBondContact OE2-NE2 3.16Å; E431-Q445 VanDerWaalsContact OE2-NE2 3.12Å; E431-H446 WeakPolarHBondContact CA-O 3.4Å; E431-R447 HydrophobicContact CG-CG 4.44Å; E431-R447 IonicContact OE1-CZ 3.46Å; E431-R447 IonicContact OE1-NE 3.33Å; E431-R447 PolarHBondContact OE1-NE 3.27Å; E431-R447 IonicContact OE1-NH2 2.74Å; E431-R447 PolarHBondContact OE1-NH2 3.18Å; E431-M814 HydrophobicContact CG-CE 4.48Å; E431-M814 WeakPolarHBondContact OE2-CE 3.26Å |
| 432 | V | 94.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 147.6 | -175.6 | -60 | 0 | 0 | 0 | 0 | 111 | Q445 H446 V448 L459 L463 I503 V505 | V432-Q445 WeakPolarHBondContact O-CA 3.25Å; V432-H446 HydrophobicContact CG2-CB 4.21Å; V432-H446 PolarHBondContact N-O 2.79Å; V432-H446 PolarHBondContact O-N 3.16Å; V432-V448 HydrophobicContact CG2-CG2 4.37Å; V432-L459 HydrophobicContact CG1-CD1 4.2Å; V432-L459 HydrophobicContact CG1-CD2 4.5Å; V432-L463 HydrophobicContact CG2-CD1 4.29Å; V432-L463 HydrophobicContact CG2-CD2 4.28Å; V432-I503 CarbonylContact C-O 3.53Å; V432-I503 WeakPolarHBondContact CA-O 3.23Å; V432-I503 HydrophobicContact CB-CG2 4.39Å; V432-I503 HydrophobicContact CG1-CB 4.09Å; V432-I503 HydrophobicContact CG1-CG2 3.8Å; V432-V505 HydrophobicContact CB-CG2 4.12Å; V432-V505 HydrophobicContact CG1-CG2 4.49Å; V432-V505 HydrophobicContact CG2-CG2 4.3Å |
| 433 | F | 94.6 | Very high | 85.7 | Confident | 27 Ų | 27 | 55.6 Ų | 55.6 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 104.7 | 174.9 | -66.3 | -79.8 | 0 | 0 | 0 | 110.5 | V444 Q445 I503 F504 V505 Y808 | F433-V444 CarbonylContact C-O 3.59Å; F433-Q445 HydrophobicContact CD1-CB 3.94Å; F433-Q445 HydrophobicContact CD1-CG 4.04Å; F433-Q445 HydrophobicContact CE1-CB 3.8Å; F433-Q445 HydrophobicContact CE1-CG 3.69Å; F433-Q445 HydrophobicContact CZ-CG 4.11Å; F433-I503 PolarHBondContact N-O 3.14Å; F433-F504 HydrophobicContact CB-CD1 3.47Å; F433-F504 VanDerWaalsContact CB-CD1 3.47Å; F433-F504 HydrophobicContact CB-CE1 3.55Å; F433-F504 HydrophobicContact CB-CG 3.99Å; F433-F504 HydrophobicContact CB-CZ 4.13Å; F433-F504 HydrophobicContact CD2-CD2 4.43Å; F433-F504 HydrophobicContact CD2-CE1 4.15Å; F433-F504 HydrophobicContact CD2-CE2 4Å; F433-F504 AromaticContact CD2-CZ 3.84Å; F433-F504 HydrophobicContact CD2-CZ 3.84Å; F433-F504 HydrophobicContact CE2-CZ 4.48Å; F433-F504 HydrophobicContact CG-CD1 4.28Å; F433-F504 AromaticContact CG-CE1 3.9Å; F433-F504 HydrophobicContact CG-CE1 3.9Å; F433-F504 HydrophobicContact CG-CZ 4.05Å; F433-F504 CarbonylContact O-C 3.53Å; F433-F504 WeakPolarHBondContact O-CA 3.32Å; F433-V505 PolarHBondContact O-N 3.23Å; F433-Y808 HydrophobicContact CD1-CG 4.42Å; F433-Y808 HydrophobicContact CE1-CD1 4.16Å; F433-Y808 AromaticContact CE1-CD2 3.91Å; F433-Y808 HydrophobicContact CE1-CD2 3.91Å; F433-Y808 HydrophobicContact CE1-CE1 4.41Å; F433-Y808 HydrophobicContact CE1-CE2 4.17Å; F433-Y808 AromaticContact CE1-CG 3.9Å; F433-Y808 HydrophobicContact CE1-CG 3.9Å |
| 434 | F | 95.3 | Very high | 86.2 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 5% | 0.053 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 126.2 | 174.2 | -178.1 | -114.5 | 0 | 0 | 0 | 111.1 | P443 V444 L463 T467 V469 M474 V505 E507 | F434-P443 CarbonylContact O-C 3.49Å; F434-P443 WeakPolarHBondContact O-CA 3.36Å; F434-V444 PolarHBondContact N-O 3.1Å; F434-V444 PolarHBondContact O-N 2.95Å; F434-L463 HydrophobicContact CB-CD2 4.29Å; F434-L463 HydrophobicContact CD2-CD2 3.81Å; F434-L463 HydrophobicContact CG-CD2 4.36Å; F434-T467 HydrophobicContact CD1-CG2 3.7Å; F434-T467 HydrophobicContact CD2-CG2 4.26Å; F434-T467 HydrophobicContact CE1-CG2 3.83Å; F434-T467 HydrophobicContact CE2-CG2 4.38Å; F434-T467 HydrophobicContact CG-CG2 3.94Å; F434-T467 HydrophobicContact CZ-CG2 4.18Å; F434-V469 HydrophobicContact CZ-CB 4.38Å; F434-V469 HydrophobicContact CZ-CG2 4Å; F434-M474 HydrophobicContact CE2-CE 4.09Å; F434-V505 CarbonylContact C-O 3.55Å; F434-V505 WeakPolarHBondContact CA-O 3.25Å; F434-V505 HydrophobicContact CD2-CB 4.44Å; F434-V505 WeakPolarHBondContact CD2-O 3.44Å; F434-E507 HydrophobicContact CE2-CB 4.09Å; F434-E507 HydrophobicContact CZ-CB 3.88Å; F434-E507 HydrophobicContact CZ-CG 4.37Å |
| 435 | V | 93.4 | Very high | 87.3 | Confident | 14 Ų | 14 | 51.4 Ų | 51.4 | 9% | 0.085 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 93.1 | -178.1 | -174.5 | 0 | 0 | 0 | 0 | 109.4 | P443 F504 V505 Y506 E507 | V435-P443 HydrophobicContact CG2-CB 4.32Å; V435-P443 HydrophobicContact CG2-CG 4.5Å; V435-F504 HydrophobicContact CG2-CD1 3.8Å; V435-V505 PolarHBondContact N-O 3.16Å; V435-Y506 HydrophobicContact CB-CD1 3.77Å; V435-Y506 HydrophobicContact CB-CE1 4.11Å; V435-Y506 HydrophobicContact CB-CG 4.37Å; V435-Y506 HydrophobicContact CG1-CD1 3.9Å; V435-Y506 HydrophobicContact CG1-CE1 4.12Å; V435-Y506 HydrophobicContact CG2-CD1 4.14Å; V435-Y506 HydrophobicContact CG2-CE1 4.02Å; V435-E507 PolarHBondContact O-N 3.37Å |
| 436 | S | 91.1 | Very high | 88.5 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 23% | 0.231 | 25% | 0.247 | C | C | . | . | trans | -65.2 | 158.8 | 180 | -178.8 | 0 | 0 | 0 | 0 | 113.2 | D438 E507 R568 | S436-D438 VanDerWaalsContact C-N 3.32Å; S436-D438 PolarHBondContact O-N 2.77Å; S436-E507 WeakPolarHBondContact CA-OE2 3.44Å; S436-E507 VanDerWaalsContact CB-OE2 3.28Å; S436-E507 WeakPolarHBondContact CB-OE2 3.23Å; S436-E507 PolarHBondContact OG-OE2 3.31Å; S436-R568 VanDerWaalsContact O-CZ 3.24Å; S436-R568 PolarHBondContact O-NH1 3.4Å; S436-R568 PolarHBondContact O-NH2 2.82Å | ||
| 437 | L | 87.8 | Confident | 89.4 | Confident | 60 Ų | 60 | 42.4 Ų | 42.4 | 31% | 0.314 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -65.6 | -26.1 | 174.2 | -80.3 | 172.2 | 0 | 0 | 0 | 114 | P439 E507 R568 | L437-P439 VanDerWaalsContact O-CD 3.3Å; L437-P439 WeakPolarHBondContact O-CD 3.32Å; L437-E507 HydrophobicContact CB-CG 4.33Å; L437-E507 HydrophobicContact CD1-CG 3.86Å; L437-E507 WeakPolarHBondContact CD2-O 3.48Å; L437-E507 HydrophobicContact CG-CB 4.03Å; L437-E507 HydrophobicContact CG-CG 3.69Å; L437-E507 PolarHBondContact N-OE2 3.39Å; L437-R568 PolarHBondContact O-NH1 3.22Å; L437-R568 VanDerWaalsContact O-NH1 3.11Å |
| 438 | D | 88.1 | Confident | 89.9 | Confident | 75 Ų | 75 | 36.9 Ų | 36.9 | 40% | 0.401 | 19% | 0.192 | S | C | . | . | trans | -61.7 | 118.5 | 175.4 | 174.1 | 16 | 0 | 0 | 0 | 109.7 | S436 H440 A441 R568 | S436-D438 VanDerWaalsContact C-N 3.32Å; S436-D438 PolarHBondContact O-N 2.77Å; D438-H440 PolarHBondContact O-N 2.91Å; D438-H440 IonicContact OD1-CG 2.81Å; D438-H440 PolarHBondContact OD1-N 2.83Å; D438-H440 IonicContact OD1-ND1 3.18Å; D438-H440 PolarHBondContact OD1-ND1 2.86Å; D438-A441 HydrophobicContact CB-CB 3.9Å; D438-A441 WeakPolarHBondContact O-CB 3.17Å; D438-A441 PolarHBondContact O-N 2.8Å; D438-A441 PolarHBondContact OD2-N 2.7Å; D438-R568 PolarHBondContact O-NH1 3.21Å | ||
| 439 | P | 84.3 | Confident | 90.4 | Very high | 22 Ų | 22 | 39 Ų | 39 | 14% | 0.143 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -19.2 | 178.9 | 27.5 | -35.7 | 0 | 0 | 0 | 113.8 | L437 Q567 R571 | L437-P439 VanDerWaalsContact O-CD 3.3Å; L437-P439 WeakPolarHBondContact O-CD 3.32Å; P439-Q567 WeakPolarHBondContact CB-O 3.42Å; P439-R571 WeakPolarHBondContact O-CB 3.49Å |
| 440 | H | 86.7 | Confident | 90.6 | Very high | 123 Ų | 123 | 35.9 Ų | 35.9 | 57% | 0.569 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -16.1 | 177.9 | -54.2 | 91.3 | 0 | 0 | 0 | 113.1 | D438 R571 | D438-H440 PolarHBondContact O-N 2.91Å; D438-H440 IonicContact OD1-CG 2.81Å; D438-H440 PolarHBondContact OD1-N 2.83Å; D438-H440 IonicContact OD1-ND1 3.18Å; D438-H440 PolarHBondContact OD1-ND1 2.86Å; H440-R571 VanDerWaalsContact O-CD 3.32Å; H440-R571 WeakPolarHBondContact O-CD 3.44Å |
| 441 | A | 89.3 | Confident | 90.5 | Very high | 33 Ų | 33 | 38.1 Ų | 38.1 | 27% | 0.273 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -65.5 | 144.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D438 R571 | D438-A441 HydrophobicContact CB-CB 3.9Å; D438-A441 WeakPolarHBondContact O-CB 3.17Å; D438-A441 PolarHBondContact O-N 2.8Å; D438-A441 PolarHBondContact OD2-N 2.7Å; A441-R571 WeakPolarHBondContact O-CD 3.46Å; A441-R571 PolarHBondContact O-NE 2.88Å |
| 442 | K | 90.7 | Very high | 89.9 | Confident | 64 Ų | 64 | 37.1 Ų | 37.1 | 28% | 0.278 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -87.3 | 148 | 169 | -52.3 | -157.1 | -172 | -151.2 | 0 | 108.3 | V444 E804 R807 V809 | K442-V444 WeakPolarHBondContact O-CG2 3.39Å; K442-V444 PolarHBondContact O-N 3.08Å; K442-E804 WeakPolarHBondContact CE-OE1 3.25Å; K442-E804 IonicContact NZ-OE1 3.17Å; K442-E804 PolarHBondContact NZ-OE1 3.46Å; K442-E804 IonicContact NZ-OE2 2.7Å; K442-E804 PolarHBondContact NZ-OE2 3.44Å; K442-R807 HydrophobicContact CD-CB 4.11Å; K442-V809 HydrophobicContact CB-CG2 3.98Å; K442-V809 HydrophobicContact CD-CG2 4.18Å; K442-V809 HydrophobicContact CG-CG2 4.37Å |
| 443 | P | 93 | Very high | 89.1 | Confident | 16 Ų | 16 | 41.9 Ų | 41.9 | 10% | 0.104 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -50.8 | 137 | 166.8 | -25.2 | 34.7 | 0 | 0 | 0 | 110 | F434 V435 Y808 V809 | F434-P443 CarbonylContact O-C 3.49Å; F434-P443 WeakPolarHBondContact O-CA 3.36Å; V435-P443 HydrophobicContact CG2-CB 4.32Å; V435-P443 HydrophobicContact CG2-CG 4.5Å; P443-Y808 CarbonylContact O-C 3.48Å; P443-Y808 WeakPolarHBondContact O-CA 3.42Å; P443-Y808 VanDerWaalsContact O-CB 3.23Å; P443-Y808 WeakPolarHBondContact O-CB 3.49Å; P443-V809 PolarHBondContact O-N 3.47Å |
| 444 | V | 94.1 | Very high | 88.7 | Confident | 36 Ų | 36 | 40.8 Ų | 40.8 | 22% | 0.218 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.9 | -179.4 | -170.7 | 0 | 0 | 0 | 0 | 108.7 | F433 F434 K442 H446 V809 H811 | F433-V444 CarbonylContact C-O 3.59Å; F434-V444 PolarHBondContact N-O 3.1Å; F434-V444 PolarHBondContact O-N 2.95Å; K442-V444 WeakPolarHBondContact O-CG2 3.39Å; K442-V444 PolarHBondContact O-N 3.08Å; V444-H446 WeakPolarHBondContact CG1-NE2 3.34Å; V444-H446 PolarHBondContact O-CD2 3.32Å; V444-H446 PolarHBondContact O-N 2.87Å; V444-V809 CarbonylContact C-O 3.51Å; V444-V809 VanDerWaalsContact CA-O 3.31Å; V444-V809 WeakPolarHBondContact CA-O 3.49Å; V444-H811 HydrophobicContact CG1-CB 3.85Å |
| 445 | Q | 94.2 | Very high | 88.6 | Confident | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 113.1 | 172.2 | -161.5 | -172.9 | 15.4 | 0 | 0 | 108.7 | E431 V432 F433 Y808 V809 K810 H811 M814 | E431-Q445 PolarHBondContact OE2-NE2 3.16Å; E431-Q445 VanDerWaalsContact OE2-NE2 3.12Å; V432-Q445 WeakPolarHBondContact O-CA 3.25Å; F433-Q445 HydrophobicContact CD1-CB 3.94Å; F433-Q445 HydrophobicContact CD1-CG 4.04Å; F433-Q445 HydrophobicContact CE1-CB 3.8Å; F433-Q445 HydrophobicContact CE1-CG 3.69Å; F433-Q445 HydrophobicContact CZ-CG 4.11Å; Q445-Y808 HydrophobicContact CB-CD2 3.99Å; Q445-Y808 HydrophobicContact CB-CE2 4.21Å; Q445-V809 PolarHBondContact N-O 3.15Å; Q445-K810 HydrophobicContact CB-CG 4.47Å; Q445-H811 VanDerWaalsContact O-CB 3.3Å; Q445-H811 WeakPolarHBondContact O-CB 3.49Å; Q445-H811 PolarHBondContact O-N 3.2Å; Q445-M814 HydrophobicContact CB-SD 4.41Å; Q445-M814 VanDerWaalsContact CD-CE 3.41Å; Q445-M814 HydrophobicContact CG-CE 3.97Å; Q445-M814 HydrophobicContact CG-SD 3.95Å; Q445-M814 VanDerWaalsContact O-CG 3.29Å; Q445-M814 WeakPolarHBondContact O-CG 3.46Å |
| 446 | H | 92.6 | Very high | 88.6 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 3% | 0.032 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 133.4 | 175 | -77.5 | -108.4 | 0 | 0 | 0 | 110.1 | E431 V432 V444 V448 L463 H811 | E431-H446 WeakPolarHBondContact CA-O 3.4Å; V432-H446 HydrophobicContact CG2-CB 4.21Å; V432-H446 PolarHBondContact N-O 2.79Å; V432-H446 PolarHBondContact O-N 3.16Å; V444-H446 WeakPolarHBondContact CG1-NE2 3.34Å; V444-H446 PolarHBondContact O-CD2 3.32Å; V444-H446 PolarHBondContact O-N 2.87Å; H446-V448 HydrophobicContact CB-CG1 4.4Å; H446-L463 HydrophobicContact CB-CD1 3.73Å; H446-H811 AromaticContact CE1-CD2 3.65Å; H446-H811 AromaticContact CE1-CG 3.56Å; H446-H811 AromaticContact CE1-ND1 3.94Å; H446-H811 AromaticContact ND1-CG 3.61Å; H446-H811 AromaticContact ND1-ND1 3.66Å |
| 447 | R | 89.6 | Confident | 88.6 | Confident | 47 Ų | 47 | 45.7 Ų | 45.7 | 18% | 0.177 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 128.3 | 159.2 | -171.4 | 175.8 | -74.1 | 151.8 | -1.5 | 108.5 | V429 M430 E431 S813 M814 V816 | V429-R447 HydrophobicContact CG1-CG 3.37Å; M430-R447 WeakPolarHBondContact O-CA 3.05Å; E431-R447 HydrophobicContact CG-CG 4.44Å; E431-R447 IonicContact OE1-CZ 3.46Å; E431-R447 IonicContact OE1-NE 3.33Å; E431-R447 PolarHBondContact OE1-NE 3.27Å; E431-R447 IonicContact OE1-NH2 2.74Å; E431-R447 PolarHBondContact OE1-NH2 3.18Å; R447-S813 PolarHBondContact N-OG 2.68Å; R447-S813 WeakPolarHBondContact O-CB 3.25Å; R447-S813 PolarHBondContact O-OG 2.97Å; R447-M814 HydrophobicContact CB-SD 3.69Å; R447-M814 PolarHBondContact N-SD 3.29Å; R447-M814 VanDerWaalsContact N-SD 3.38Å; R447-M814 PolarHBondContact NH1-O 3.44Å; R447-V816 PolarHBondContact NH1-O 3.09Å |
| 448 | V | 90.4 | Very high | 88.9 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 156.3 | -176.4 | -70.7 | 0 | 0 | 0 | 0 | 110.5 | V429 M430 V432 H446 L459 L463 M466 | V429-V448 WeakPolarHBondContact CA-O 3.48Å; M430-V448 HydrophobicContact CB-CG2 4.05Å; M430-V448 PolarHBondContact N-O 2.74Å; M430-V448 WeakPolarHBondContact O-CG2 3.45Å; M430-V448 PolarHBondContact O-N 3.34Å; V432-V448 HydrophobicContact CG2-CG2 4.37Å; H446-V448 HydrophobicContact CB-CG1 4.4Å; V448-L459 HydrophobicContact CG2-CD1 3.61Å; V448-L463 HydrophobicContact CG1-CB 4.48Å; V448-L463 HydrophobicContact CG1-CD1 3.96Å; V448-M466 HydrophobicContact CG1-SD 3.73Å |
| 449 | V | 87.8 | Confident | 89.1 | Confident | 78 Ų | 78 | 42.3 Ų | 42.3 | 47% | 0.473 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 127.2 | 177.8 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | E427 R428 V429 | E427-V449 HydrophobicContact CB-CG1 3.78Å; E427-V449 HydrophobicContact CG-CG1 4.2Å; E427-V449 WeakPolarHBondContact OE2-CG1 3.45Å; R428-V449 WeakPolarHBondContact O-CA 3.43Å; V429-V449 HydrophobicContact CG2-CG2 4.44Å |
| 450 | V | 88.1 | Confident | 89.6 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 154.9 | -170.3 | -66.1 | 0 | 0 | 0 | 0 | 111.4 | E427 R428 M430 L459 A462 L494 | E427-V450 CarbonylContact C-O 3.58Å; E427-V450 VanDerWaalsContact CA-O 3.31Å; E427-V450 WeakPolarHBondContact CA-O 3.42Å; R428-V450 HydrophobicContact CB-CG2 4.36Å; R428-V450 PolarHBondContact N-O 3.14Å; R428-V450 PolarHBondContact O-N 2.7Å; M430-V450 HydrophobicContact CG-CG2 4.05Å; M430-V450 HydrophobicContact SD-CG2 3.63Å; V450-L459 HydrophobicContact CG1-CB 4.22Å; V450-L459 HydrophobicContact CG1-CD1 4.08Å; V450-A462 HydrophobicContact CG1-CB 3.92Å; V450-L494 HydrophobicContact CB-CD1 3.85Å; V450-L494 HydrophobicContact CG2-CD1 3.77Å |
| 451 | P | 85 | Confident | 89.9 | Confident | 57 Ų | 57 | 37.7 Ų | 37.7 | 37% | 0.37 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 136.1 | 178.6 | -18.9 | 32.1 | 0 | 0 | 0 | 112.3 | K426 A453 G454 | K426-P451 CarbonylContact O-C 3.59Å; K426-P451 WeakPolarHBondContact O-CA 3.34Å; P451-A453 PolarHBondContact O-N 2.94Å; P451-G454 PolarHBondContact O-N 3.34Å |
| 452 | K | 77.5 | Confident | 90 | Very high | 55 Ų | 55 | 37.4 Ų | 37.4 | 24% | 0.239 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -32.8 | 178.6 | -93.2 | -163.6 | 175.4 | -163.4 | 0 | 113.8 | K426 R428 E883 | K426-K452 PolarHBondContact O-N 2.94Å; R428-K452 HydrophobicContact CB-CG 3.85Å; K452-E883 IonicContact NZ-OE1 2.98Å; K452-E883 PolarHBondContact NZ-OE1 2.91Å; K452-E883 IonicContact NZ-OE2 3.33Å; K452-E883 PolarHBondContact NZ-OE2 3.42Å |
| 453 | A | 78.3 | Confident | 90.2 | Very high | 99 Ų | 99 | 34.3 Ų | 34.3 | 82% | 0.818 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 18.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | P451 | P451-A453 PolarHBondContact O-N 2.94Š|
| 454 | G | 86.1 | Confident | 90.2 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | trans | -79.7 | 178.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P451 D458 L494 | P451-G454 PolarHBondContact O-N 3.34Å; G454-D458 WeakPolarHBondContact CA-OD2 3.13Å; G454-L494 WeakPolarHBondContact O-CG 3.48Å; G454-L494 PolarHBondContact O-N 3.43Å | ||
| 455 | R | 92.7 | Very high | 90 | Very high | 123 Ų | 123 | 40 Ų | 40 | 46% | 0.464 | 23% | 0.233 | S | C | . | . | B | Isolated β-bridge | trans | -109.3 | 166.1 | 179.6 | -67.4 | 174.9 | 177.6 | -179.3 | -9 | 111.9 | S457 D458 L459 E491 E492 L494 | R455-S457 WeakPolarHBondContact CB-OG 3.27Å; R455-S457 PolarHBondContact O-N 3.4Å; R455-D458 PolarHBondContact N-OD2 3.5Å; R455-D458 WeakPolarHBondContact O-CB 3.05Å; R455-D458 PolarHBondContact O-N 3.39Å; R455-L459 PolarHBondContact O-N 2.82Å; R455-E491 IonicContact CZ-OE2 2.73Å; R455-E491 IonicContact NH1-OE1 3.48Å; R455-E491 IonicContact NH1-OE2 2.87Å; R455-E491 PolarHBondContact NH1-OE2 3.05Å; R455-E491 IonicContact NH2-OE2 2.76Å; R455-E492 CarbonylContact C-O 3.6Å; R455-E492 WeakPolarHBondContact CA-O 3.46Å; R455-L494 WeakPolarHBondContact O-CD1 3.47Å; R455-L494 WeakPolarHBondContact O-CG 3.24Å |
| 456 | V | 92.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.8 | -28.7 | 174.4 | 173 | 0 | 0 | 0 | 0 | 111.7 | D458 L459 C460 V476 Y488 P490 E492 L494 I497 | V456-D458 PolarHBondContact O-N 3.32Å; V456-L459 WeakPolarHBondContact O-CB 3.15Å; V456-L459 PolarHBondContact O-N 3.46Å; V456-C460 PolarHBondContact O-N 2.95Å; V456-C460 PolarHBondContact O-SG 3.19Å; V456-V476 HydrophobicContact CG1-CB 3.85Å; V456-V476 HydrophobicContact CG1-CG1 4.46Å; V456-V476 HydrophobicContact CG1-CG2 3.65Å; V456-Y488 HydrophobicContact CG2-CD1 4.34Å; V456-Y488 HydrophobicContact CG2-CG 4.43Å; V456-P490 PolarHBondContact N-O 3.04Å; V456-E492 HydrophobicContact CG2-CB 4.27Å; V456-E492 PolarHBondContact N-O 3.39Å; V456-L494 HydrophobicContact CG2-CD2 4.23Å; V456-I497 HydrophobicContact CG2-CD1 4.44Å |
| 457 | S | 92.4 | Very high | 89.8 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 27% | 0.266 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.5 | -34.3 | 169.2 | 48.9 | 0 | 0 | 0 | 0 | 114.4 | R455 L459 C460 A461 P490 | R455-S457 WeakPolarHBondContact CB-OG 3.27Å; R455-S457 PolarHBondContact O-N 3.4Å; S457-L459 VanDerWaalsContact C-N 3.33Å; S457-C460 PolarHBondContact O-N 3.1Å; S457-A461 WeakPolarHBondContact O-CB 3.44Å; S457-A461 PolarHBondContact O-N 3.23Å; S457-P490 WeakPolarHBondContact CB-O 3.44Å; S457-P490 PolarHBondContact N-O 2.94Å; S457-P490 PolarHBondContact OG-O 3.3Å; S457-P490 VanDerWaalsContact OG-O 3.14Å |
| 458 | D | 92.8 | Very high | 89.8 | Confident | 64 Ų | 64 | 44.9 Ų | 44.9 | 34% | 0.342 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.5 | -34.1 | 174.5 | -60.4 | -48.1 | 0 | 0 | 0 | 111.4 | G454 R455 V456 A461 A462 | G454-D458 WeakPolarHBondContact CA-OD2 3.13Å; R455-D458 PolarHBondContact N-OD2 3.5Å; R455-D458 WeakPolarHBondContact O-CB 3.05Å; R455-D458 PolarHBondContact O-N 3.39Å; V456-D458 PolarHBondContact O-N 3.32Å; D458-A461 PolarHBondContact O-N 2.81Å; D458-A462 WeakPolarHBondContact O-CB 3.45Å; D458-A462 PolarHBondContact O-N 3.03Å |
| 459 | L | 93.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.8 | -44.4 | 173.3 | 171.3 | 63.2 | 0 | 0 | 0 | 111.7 | M430 V432 V448 V450 R455 V456 S457 A461 A462 L463 V476 L494 I497 | M430-L459 HydrophobicContact CE-CD2 4.22Å; V432-L459 HydrophobicContact CG1-CD1 4.2Å; V432-L459 HydrophobicContact CG1-CD2 4.5Å; V448-L459 HydrophobicContact CG2-CD1 3.61Å; V450-L459 HydrophobicContact CG1-CB 4.22Å; V450-L459 HydrophobicContact CG1-CD1 4.08Å; R455-L459 PolarHBondContact O-N 2.82Å; V456-L459 WeakPolarHBondContact O-CB 3.15Å; V456-L459 PolarHBondContact O-N 3.46Å; S457-L459 VanDerWaalsContact C-N 3.33Å; L459-A461 VanDerWaalsContact C-N 3.31Å; L459-A461 PolarHBondContact O-N 3.29Å; L459-A462 PolarHBondContact O-N 3.08Å; L459-L463 WeakPolarHBondContact O-CB 3.47Å; L459-L463 PolarHBondContact O-N 3.34Å; L459-V476 HydrophobicContact CD2-CG1 4.11Å; L459-V476 HydrophobicContact CD2-CG2 4.33Å; L459-L494 HydrophobicContact CB-CD2 3.84Å; L459-L494 HydrophobicContact CD2-CD2 4.15Å; L459-I497 HydrophobicContact CD2-CD1 4.47Å |
| 460 | C | 94.1 | Very high | 90.1 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -35.1 | 173 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | V456 S457 S464 P471 M474 | V456-C460 PolarHBondContact O-N 2.95Å; V456-C460 PolarHBondContact O-SG 3.19Å; S457-C460 PolarHBondContact O-N 3.1Å; C460-S464 VanDerWaalsContact O-CB 3.22Å; C460-S464 WeakPolarHBondContact O-CB 3.29Å; C460-S464 PolarHBondContact O-N 3.38Å; C460-P471 HydrophobicContact CB-CB 3.85Å; C460-M474 HydrophobicContact CB-CB 4.18Å; C460-M474 HydrophobicContact CB-SD 4.07Å |
| 461 | A | 93.3 | Very high | 90.2 | Very high | 42 Ų | 42 | 46.8 Ų | 46.8 | 35% | 0.347 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.5 | -49.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S457 D458 L459 L463 S464 D465 | S457-A461 WeakPolarHBondContact O-CB 3.44Å; S457-A461 PolarHBondContact O-N 3.23Å; D458-A461 PolarHBondContact O-N 2.81Å; L459-A461 VanDerWaalsContact C-N 3.31Å; L459-A461 PolarHBondContact O-N 3.29Å; A461-L463 VanDerWaalsContact C-N 3.29Å; A461-L463 PolarHBondContact O-N 3.12Å; A461-S464 WeakPolarHBondContact O-CB 3.12Å; A461-S464 PolarHBondContact O-N 3.04Å; A461-D465 PolarHBondContact O-N 3.32Å |
| 462 | A | 92.2 | Very high | 90.3 | Very high | 26 Ų | 26 | 50 Ų | 50 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.5 | -35.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V450 D458 L459 M466 | V450-A462 HydrophobicContact CG1-CB 3.92Å; D458-A462 WeakPolarHBondContact O-CB 3.45Å; D458-A462 PolarHBondContact O-N 3.03Å; L459-A462 PolarHBondContact O-N 3.08Å; A462-M466 WeakPolarHBondContact O-CG 3.36Å |
| 463 | L | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -78 | -30.8 | 176.4 | -168.6 | 64.8 | 0 | 0 | 0 | 112.9 | V432 F434 H446 V448 L459 A461 M466 T467 M474 V505 | V432-L463 HydrophobicContact CG2-CD1 4.29Å; V432-L463 HydrophobicContact CG2-CD2 4.28Å; F434-L463 HydrophobicContact CB-CD2 4.29Å; F434-L463 HydrophobicContact CD2-CD2 3.81Å; F434-L463 HydrophobicContact CG-CD2 4.36Å; H446-L463 HydrophobicContact CB-CD1 3.73Å; V448-L463 HydrophobicContact CG1-CB 4.48Å; V448-L463 HydrophobicContact CG1-CD1 3.96Å; L459-L463 WeakPolarHBondContact O-CB 3.47Å; L459-L463 PolarHBondContact O-N 3.34Å; A461-L463 VanDerWaalsContact C-N 3.29Å; A461-L463 PolarHBondContact O-N 3.12Å; L463-M466 PolarHBondContact O-N 2.75Å; L463-M466 VanDerWaalsContact O-N 3.15Å; L463-T467 HydrophobicContact CD1-CG2 4Å; L463-T467 HydrophobicContact CG-CG2 3.98Å; L463-T467 WeakPolarHBondContact O-CB 3.36Å; L463-T467 WeakPolarHBondContact O-CG2 3.43Å; L463-T467 PolarHBondContact O-N 3.46Å; L463-T467 PolarHBondContact O-OG1 2.98Å; L463-M474 HydrophobicContact CB-CE 4.22Å; L463-M474 HydrophobicContact CB-SD 4.11Å; L463-M474 HydrophobicContact CD2-CE 4.25Å; L463-M474 HydrophobicContact CD2-SD 4.07Å; L463-M474 HydrophobicContact CG-CE 4.06Å; L463-M474 HydrophobicContact CG-SD 4.29Å; L463-V505 HydrophobicContact CD2-CB 3.76Å; L463-V505 HydrophobicContact CD2-CG1 3.75Å; L463-V505 HydrophobicContact CD2-CG2 3.96Å |
| 464 | S | 94.4 | Very high | 91.7 | Very high | 21 Ų | 21 | 44.7 Ų | 44.7 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.4 | -47.6 | 174.5 | 159.7 | 0 | 0 | 0 | 0 | 111.6 | C460 A461 M466 T467 G468 V469 | C460-S464 VanDerWaalsContact O-CB 3.22Å; C460-S464 WeakPolarHBondContact O-CB 3.29Å; C460-S464 PolarHBondContact O-N 3.38Å; A461-S464 WeakPolarHBondContact O-CB 3.12Å; A461-S464 PolarHBondContact O-N 3.04Å; S464-M466 PolarHBondContact O-N 3.09Å; S464-M466 VanDerWaalsContact O-N 3.13Å; S464-T467 PolarHBondContact O-N 3.33Å; S464-G468 WeakPolarHBondContact O-CA 3.39Å; S464-G468 PolarHBondContact O-N 2.73Å; S464-V469 VanDerWaalsContact CA-O 3.31Å; S464-V469 WeakPolarHBondContact CA-O 3.47Å; S464-V469 WeakPolarHBondContact CB-O 3.17Å; S464-V469 PolarHBondContact OG-O 3.09Å |
| 465 | D | 90.1 | Very high | 92 | Very high | 150 Ų | 150 | 45.8 Ų | 45.8 | 80% | 0.802 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.4 | -23.2 | 178.4 | -74.6 | -12.3 | 0 | 0 | 0 | 113.2 | A461 | A461-D465 PolarHBondContact O-N 3.32Å |
| 466 | M | 89.7 | Confident | 92.1 | Very high | 66 Ų | 66 | 40 Ų | 40 | 33% | 0.325 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -94.7 | -24.8 | -179.9 | -58.8 | -175.3 | 75.3 | 0 | 0 | 114.2 | V448 A462 L463 S464 H811 S813 | V448-M466 HydrophobicContact CG1-SD 3.73Å; A462-M466 WeakPolarHBondContact O-CG 3.36Å; L463-M466 PolarHBondContact O-N 2.75Å; L463-M466 VanDerWaalsContact O-N 3.15Å; S464-M466 PolarHBondContact O-N 3.09Å; S464-M466 VanDerWaalsContact O-N 3.13Å; M466-H811 VanDerWaalsContact CE-CE1 3.49Å; M466-H811 WeakPolarHBondContact CE-CE1 3.44Å; M466-H811 WeakPolarHBondContact CE-ND1 3.47Å; M466-S813 WeakPolarHBondContact CE-OG 3.22Å |
| 467 | T | 91.6 | Very high | 92.2 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 23% | 0.233 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -108 | -20.9 | -174.2 | 55 | 0 | 0 | 0 | 0 | 113.1 | F434 L463 S464 V469 M474 | F434-T467 HydrophobicContact CD1-CG2 3.7Å; F434-T467 HydrophobicContact CD2-CG2 4.26Å; F434-T467 HydrophobicContact CE1-CG2 3.83Å; F434-T467 HydrophobicContact CE2-CG2 4.38Å; F434-T467 HydrophobicContact CG-CG2 3.94Å; F434-T467 HydrophobicContact CZ-CG2 4.18Å; L463-T467 HydrophobicContact CD1-CG2 4Å; L463-T467 HydrophobicContact CG-CG2 3.98Å; L463-T467 WeakPolarHBondContact O-CB 3.36Å; L463-T467 WeakPolarHBondContact O-CG2 3.43Å; L463-T467 PolarHBondContact O-N 3.46Å; L463-T467 PolarHBondContact O-OG1 2.98Å; S464-T467 PolarHBondContact O-N 3.33Å; T467-V469 PolarHBondContact O-N 3.25Å; T467-V469 PolarHBondContact OG1-N 3.39Å; T467-M474 VanDerWaalsContact OG1-CE 3.24Å; T467-M474 WeakPolarHBondContact OG1-CE 3.16Å |
| 468 | G | 89.7 | Confident | 92.2 | Very high | 69 Ų | 69 | 38.5 Ų | 38.5 | 71% | 0.711 | 24% | 0.244 | S | C | * | . | trans | 76.1 | 4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S464 | S464-G468 WeakPolarHBondContact O-CA 3.39Å; S464-G468 PolarHBondContact O-N 2.73Å | ||
| 469 | V | 92 | Very high | 92.2 | Very high | 14 Ų | 14 | 36 Ų | 36 | 9% | 0.085 | 23% | 0.231 | C | C | . | . | trans | -93.5 | 130.6 | -179 | 168.3 | 0 | 0 | 0 | 0 | 110 | F434 S464 T467 Q473 M474 E507 | F434-V469 HydrophobicContact CZ-CB 4.38Å; F434-V469 HydrophobicContact CZ-CG2 4Å; S464-V469 VanDerWaalsContact CA-O 3.31Å; S464-V469 WeakPolarHBondContact CA-O 3.47Å; S464-V469 WeakPolarHBondContact CB-O 3.17Å; S464-V469 PolarHBondContact OG-O 3.09Å; T467-V469 PolarHBondContact O-N 3.25Å; T467-V469 PolarHBondContact OG1-N 3.39Å; V469-Q473 HydrophobicContact CG1-CB 4.09Å; V469-M474 HydrophobicContact CB-CE 3.83Å; V469-M474 HydrophobicContact CG1-CE 3.91Å; V469-M474 HydrophobicContact CG1-CG 4.2Å; V469-M474 WeakPolarHBondContact O-CE 3.48Å; V469-E507 HydrophobicContact CG1-CG 3.89Å; V469-E507 HydrophobicContact CG2-CG 4.22Å | ||
| 470 | P | 91.9 | Very high | 92 | Very high | 55 Ų | 55 | 42.1 Ų | 42.1 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | trans | -59.3 | 143.3 | 179.3 | -25.6 | 35.1 | 0 | 0 | 0 | 113.5 | T472 Q473 | P470-T472 PolarHBondContact O-N 3.27Å; P470-T472 VanDerWaalsContact O-N 3.09Å; P470-Q473 PolarHBondContact O-N 3.06Å | ||
| 471 | P | 90.5 | Very high | 91.6 | Very high | 54 Ų | 54 | 47 Ų | 47 | 35% | 0.351 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -59 | -26.8 | 178.5 | -25.4 | 35.2 | 0 | 0 | 0 | 113.9 | C460 Q473 M474 | C460-P471 HydrophobicContact CB-CB 3.85Å; P471-Q473 PolarHBondContact O-N 3.34Å; P471-M474 PolarHBondContact O-N 2.94Å |
| 472 | T | 88.6 | Confident | 91.4 | Very high | 124 Ų | 124 | 48.3 Ų | 48.3 | 76% | 0.761 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -71.2 | -10.5 | 176 | 50.4 | 0 | 0 | 0 | 0 | 114 | P470 | P470-T472 PolarHBondContact O-N 3.27Å; P470-T472 VanDerWaalsContact O-N 3.09Å |
| 473 | Q | 90.7 | Very high | 91.3 | Very high | 33 Ų | 33 | 50.2 Ų | 50.2 | 15% | 0.154 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -105.9 | 9.8 | 175 | -67.5 | -171.8 | -112.1 | 0 | 0 | 112.4 | V469 P470 P471 E507 L508 | V469-Q473 HydrophobicContact CG1-CB 4.09Å; P470-Q473 PolarHBondContact O-N 3.06Å; P471-Q473 PolarHBondContact O-N 3.34Å; Q473-E507 CarbonylContact O-C 3.58Å; Q473-E507 WeakPolarHBondContact O-CA 3.42Å; Q473-L508 PolarHBondContact NE2-O 3.48Å; Q473-L508 PolarHBondContact O-N 3.09Å |
| 474 | M | 92.9 | Very high | 91.1 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132 | 179 | -66.4 | -173.2 | 177.1 | 0 | 0 | 111.7 | F434 C460 L463 T467 V469 P471 V505 Y506 | F434-M474 HydrophobicContact CE2-CE 4.09Å; C460-M474 HydrophobicContact CB-CB 4.18Å; C460-M474 HydrophobicContact CB-SD 4.07Å; L463-M474 HydrophobicContact CB-CE 4.22Å; L463-M474 HydrophobicContact CB-SD 4.11Å; L463-M474 HydrophobicContact CD2-CE 4.25Å; L463-M474 HydrophobicContact CD2-SD 4.07Å; L463-M474 HydrophobicContact CG-CE 4.06Å; L463-M474 HydrophobicContact CG-SD 4.29Å; T467-M474 VanDerWaalsContact OG1-CE 3.24Å; T467-M474 WeakPolarHBondContact OG1-CE 3.16Å; V469-M474 HydrophobicContact CB-CE 3.83Å; V469-M474 HydrophobicContact CG1-CE 3.91Å; V469-M474 HydrophobicContact CG1-CG 4.2Å; V469-M474 WeakPolarHBondContact O-CE 3.48Å; P471-M474 PolarHBondContact O-N 2.94Å; M474-V505 HydrophobicContact CB-CG1 3.85Å; M474-V505 HydrophobicContact CG-CG1 4.14Å; M474-V505 HydrophobicContact SD-CG1 4.1Å; M474-Y506 WeakPolarHBondContact CA-O 3.32Å |
| 475 | V | 93.3 | Very high | 90.8 | Very high | 26 Ų | 26 | 57.3 Ų | 57.3 | 16% | 0.158 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127.5 | 167.8 | 171.9 | 0 | 0 | 0 | 0 | 109.8 | I487 V505 Y506 L508 L517 L548 | V475-I487 HydrophobicContact CG1-CG2 3.53Å; V475-V505 WeakPolarHBondContact O-CA 3.5Å; V475-Y506 PolarHBondContact N-O 3.45Å; V475-Y506 PolarHBondContact O-N 3.41Å; V475-L508 HydrophobicContact CB-CD1 4.17Å; V475-L508 HydrophobicContact CG2-CD1 3.49Å; V475-L508 VanDerWaalsContact CG2-CD1 3.49Å; V475-L517 HydrophobicContact CG2-CD2 4.47Å; V475-L548 HydrophobicContact CB-CD1 4.33Å; V475-L548 HydrophobicContact CG1-CD1 3.72Å |
| 476 | V | 94.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 130.6 | -178 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | V456 L459 Y488 I503 V505 | V456-V476 HydrophobicContact CG1-CB 3.85Å; V456-V476 HydrophobicContact CG1-CG1 4.46Å; V456-V476 HydrophobicContact CG1-CG2 3.65Å; L459-V476 HydrophobicContact CD2-CG1 4.11Å; L459-V476 HydrophobicContact CD2-CG2 4.33Å; V476-Y488 HydrophobicContact CG1-CD2 4.45Å; V476-Y488 PolarHBondContact O-N 2.89Å; V476-I503 HydrophobicContact CG1-CG2 3.57Å; V476-V505 HydrophobicContact CG1-CG2 4.35Å; V476-V505 HydrophobicContact CG2-CG1 4.13Å; V476-V505 HydrophobicContact CG2-CG2 4.03Å |
| 477 | A | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 144.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F484 K486 I487 I503 F504 Y506 | A477-F484 HydrophobicContact CB-CD1 3.69Å; A477-F484 HydrophobicContact CB-CE1 3.99Å; A477-K486 CarbonylContact C-O 3.56Å; A477-K486 VanDerWaalsContact CA-O 3.24Å; A477-K486 WeakPolarHBondContact CA-O 3.42Å; A477-K486 WeakPolarHBondContact CB-O 3.48Å; A477-I487 HydrophobicContact CB-CB 4.5Å; A477-I487 HydrophobicContact CB-CG1 4Å; A477-I503 WeakPolarHBondContact O-CA 3.46Å; A477-F504 PolarHBondContact N-O 2.98Å; A477-F504 PolarHBondContact O-N 3.36Å; A477-Y506 HydrophobicContact CB-CE2 4.33Å |
| 478 | D | 93.5 | Very high | 90.8 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.043 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125.5 | 166 | 170.4 | 20.4 | 0 | 0 | 0 | 108.9 | Y485 K486 Y488 I503 | D478-Y485 PolarHBondContact O-N 2.95Å; D478-Y485 WeakPolarHBondContact OD2-CD1 3.48Å; D478-K486 PolarHBondContact N-O 3.05Å; D478-K486 PolarHBondContact O-N 3.33Å; D478-Y488 HydrophobicContact CB-CE2 3.88Å; D478-I503 HydrophobicContact CB-CD1 3.78Å |
| 479 | V | 91.4 | Very high | 90.8 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 108.3 | -177.4 | 175.4 | 0 | 0 | 0 | 0 | 109.3 | R483 F484 D502 F504 P546 | V479-R483 CarbonylContact C-O 3.56Å; V479-R483 WeakPolarHBondContact CA-O 3.22Å; V479-F484 HydrophobicContact CG2-CD1 3.84Å; V479-F484 HydrophobicContact CG2-CE1 3.9Å; V479-D502 PolarHBondContact N-O 3.13Å; V479-F504 HydrophobicContact CB-CD2 3.62Å; V479-F504 HydrophobicContact CB-CE2 3.86Å; V479-F504 HydrophobicContact CG1-CD2 4.4Å; V479-F504 HydrophobicContact CG1-CE2 4.26Å; V479-F504 HydrophobicContact CG2-CB 4.19Å; V479-F504 HydrophobicContact CG2-CD2 3.52Å; V479-F504 HydrophobicContact CG2-CE2 4.2Å; V479-F504 HydrophobicContact CG2-CG 4.05Å; V479-P546 HydrophobicContact CB-CG 4.48Å; V479-P546 HydrophobicContact CG1-CG 3.68Å; V479-P546 HydrophobicContact CG2-CG 3.92Å |
| 480 | F | 88.8 | Confident | 90.6 | Very high | 129 Ų | 129 | 56.1 Ų | 56.1 | 57% | 0.566 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 127.2 | 179.1 | -176.1 | -97.9 | 0 | 0 | 0 | 111.3 | R483 | F480-R483 PolarHBondContact N-O 3.01Å; F480-R483 WeakPolarHBondContact O-CG 3.42Å |
| 481 | N | 87 | Confident | 90.5 | Very high | 108 Ų | 108 | 59.2 Ų | 59.2 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 57.3 | -179.6 | -167.6 | 72.5 | 0 | 0 | 0 | 112.7 | R483 | N481-R483 PolarHBondContact O-N 3.12Å; N481-R483 VanDerWaalsContact O-N 3.16Å |
| 482 | H | 89.4 | Confident | 90.5 | Very high | 71 Ų | 71 | 58.8 Ų | 58.8 | 33% | 0.329 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 15.5 | 175 | -50.5 | -60.2 | 0 | 0 | 0 | 116.5 | L542 G544 | H482-L542 HydrophobicContact CB-CB 3.91Å; H482-L542 PolarHBondContact CD2-O 3.24Å; H482-G544 PolarHBondContact ND1-N 2.81Å; H482-G544 PolarHBondContact ND1-O 3.44Å |
| 483 | R | 88.6 | Confident | 90.4 | Very high | 65 Ų | 65 | 54.9 Ų | 54.9 | 25% | 0.245 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 165.1 | 176.9 | 60.3 | 171.4 | -175.7 | 161.4 | 3.5 | 111.7 | V479 F480 N481 Y485 Y521 L542 N765 | V479-R483 CarbonylContact C-O 3.56Å; V479-R483 WeakPolarHBondContact CA-O 3.22Å; F480-R483 PolarHBondContact N-O 3.01Å; F480-R483 WeakPolarHBondContact O-CG 3.42Å; N481-R483 PolarHBondContact O-N 3.12Å; N481-R483 VanDerWaalsContact O-N 3.16Å; R483-Y485 PolarHBondContact O-N 3.21Å; R483-Y521 HydrophobicContact CB-CD1 4.42Å; R483-Y521 HydrophobicContact CB-CE1 3.86Å; R483-L542 HydrophobicContact CB-CD1 4.3Å; R483-N765 PolarHBondContact NH1-OD1 2.81Å |
| 484 | F | 90.3 | Very high | 90.2 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 6% | 0.057 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 118.2 | 167.7 | -61.2 | -62.4 | 0 | 0 | 0 | 109 | A477 V479 I487 Y506 A519 Y521 P546 L548 | A477-F484 HydrophobicContact CB-CD1 3.69Å; A477-F484 HydrophobicContact CB-CE1 3.99Å; V479-F484 HydrophobicContact CG2-CD1 3.84Å; V479-F484 HydrophobicContact CG2-CE1 3.9Å; F484-I487 HydrophobicContact CB-CG1 4.3Å; F484-I487 HydrophobicContact CD1-CG1 4.46Å; F484-I487 HydrophobicContact CD2-CD1 4.48Å; F484-I487 HydrophobicContact CG-CD1 4.4Å; F484-I487 HydrophobicContact CG-CG1 4.29Å; F484-Y506 AromaticContact CE1-CE2 3.73Å; F484-Y506 HydrophobicContact CE1-CE2 3.73Å; F484-Y506 AromaticContact CE1-CZ 3.78Å; F484-Y506 WeakPolarHBondContact CE1-OH 3.42Å; F484-Y506 HydrophobicContact CZ-CE2 4.3Å; F484-A519 HydrophobicContact CD2-CB 3.91Å; F484-A519 HydrophobicContact CE2-CB 3.8Å; F484-Y521 AromaticContact CD2-CE1 3.62Å; F484-Y521 HydrophobicContact CD2-CE1 3.62Å; F484-Y521 HydrophobicContact CE2-CE1 4.12Å; F484-Y521 HydrophobicContact CG-CE1 4.4Å; F484-P546 HydrophobicContact CD1-CG 4.14Å; F484-P546 HydrophobicContact CD2-CB 4.28Å; F484-P546 HydrophobicContact CE1-CB 4.15Å; F484-P546 HydrophobicContact CE1-CG 3.76Å; F484-P546 HydrophobicContact CE2-CB 3.72Å; F484-P546 HydrophobicContact CE2-CG 4.21Å; F484-P546 HydrophobicContact CZ-CB 3.63Å; F484-P546 HydrophobicContact CZ-CG 3.78Å; F484-L548 HydrophobicContact CE1-CD1 4.32Å; F484-L548 HydrophobicContact CE1-CG 4.25Å; F484-L548 HydrophobicContact CE2-CD2 4.15Å; F484-L548 HydrophobicContact CE2-CG 4.12Å; F484-L548 HydrophobicContact CZ-CD1 4.24Å; F484-L548 HydrophobicContact CZ-CD2 4.22Å; F484-L548 HydrophobicContact CZ-CG 3.68Å |
| 485 | Y | 88.1 | Confident | 89.6 | Confident | 158 Ų | 158 | 54.8 Ų | 54.8 | 62% | 0.62 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -42 | 167.6 | -178.4 | -100.5 | 0 | 0 | 0 | 110 | D478 R483 | D478-Y485 PolarHBondContact O-N 2.95Å; D478-Y485 WeakPolarHBondContact OD2-CD1 3.48Å; R483-Y485 PolarHBondContact O-N 3.21Å |
| 486 | K | 89.3 | Confident | 89.1 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 30% | 0.296 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 139.8 | 175.3 | -177.4 | 172 | 173.5 | -172.6 | 0 | 111.4 | A477 D478 Y488 E492 | A477-K486 CarbonylContact C-O 3.56Å; A477-K486 VanDerWaalsContact CA-O 3.24Å; A477-K486 WeakPolarHBondContact CA-O 3.42Å; A477-K486 WeakPolarHBondContact CB-O 3.48Å; D478-K486 PolarHBondContact N-O 3.05Å; D478-K486 PolarHBondContact O-N 3.33Å; K486-Y488 HydrophobicContact CB-CE2 4.22Å; K486-Y488 HydrophobicContact CD-CD1 4.09Å; K486-Y488 HydrophobicContact CD-CE1 3.76Å; K486-Y488 HydrophobicContact CD-CE2 4.21Å; K486-Y488 HydrophobicContact CD-CG 4.47Å; K486-Y488 HydrophobicContact CG-CD2 4.27Å; K486-Y488 HydrophobicContact CG-CE1 4.48Å; K486-Y488 HydrophobicContact CG-CE2 4.15Å; K486-Y488 HydrophobicContact CG-CG 4.47Å; K486-E492 WeakPolarHBondContact CE-OE2 3.36Å; K486-E492 IonicContact NZ-OE2 2.7Å; K486-E492 PolarHBondContact NZ-OE2 2.98Å |
| 487 | I | 90.7 | Very high | 88.7 | Confident | 53 Ų | 53 | 56.6 Ų | 56.6 | 27% | 0.272 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.2 | 163.2 | -58.5 | 170.6 | 0 | 0 | 0 | 106.5 | V475 A477 F484 L548 | V475-I487 HydrophobicContact CG1-CG2 3.53Å; A477-I487 HydrophobicContact CB-CB 4.5Å; A477-I487 HydrophobicContact CB-CG1 4Å; F484-I487 HydrophobicContact CB-CG1 4.3Å; F484-I487 HydrophobicContact CD1-CG1 4.46Å; F484-I487 HydrophobicContact CD2-CD1 4.48Å; F484-I487 HydrophobicContact CG-CD1 4.4Å; F484-I487 HydrophobicContact CG-CG1 4.29Å; I487-L548 HydrophobicContact CD1-CD1 4.35Å; I487-L548 HydrophobicContact CD1-CD2 3.98Å |
| 488 | Y | 91 | Very high | 88.1 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 140.5 | -173.6 | -67.5 | -99.6 | 0 | 0 | 0 | 111.9 | V456 V476 D478 K486 C496 I497 I503 | V456-Y488 HydrophobicContact CG2-CD1 4.34Å; V456-Y488 HydrophobicContact CG2-CG 4.43Å; V476-Y488 HydrophobicContact CG1-CD2 4.45Å; V476-Y488 PolarHBondContact O-N 2.89Å; D478-Y488 HydrophobicContact CB-CE2 3.88Å; K486-Y488 HydrophobicContact CB-CE2 4.22Å; K486-Y488 HydrophobicContact CD-CD1 4.09Å; K486-Y488 HydrophobicContact CD-CE1 3.76Å; K486-Y488 HydrophobicContact CD-CE2 4.21Å; K486-Y488 HydrophobicContact CD-CG 4.47Å; K486-Y488 HydrophobicContact CG-CD2 4.27Å; K486-Y488 HydrophobicContact CG-CE1 4.48Å; K486-Y488 HydrophobicContact CG-CE2 4.15Å; K486-Y488 HydrophobicContact CG-CG 4.47Å; Y488-C496 HydrophobicContact CE1-CB 4.14Å; Y488-C496 WeakPolarHBondContact CE1-O 3.45Å; Y488-C496 PolarHBondContact OH-O 3.3Å; Y488-I497 HydrophobicContact CD1-CG1 4.38Å; Y488-I497 HydrophobicContact CE1-CD1 4.34Å; Y488-I497 HydrophobicContact CE1-CG1 3.67Å; Y488-I497 HydrophobicContact CE2-CD1 4.48Å; Y488-I497 HydrophobicContact CE2-CG1 4.06Å; Y488-I497 VanDerWaalsContact CZ-CG1 3.49Å; Y488-I503 HydrophobicContact CE2-CD1 4.41Å |
| 489 | N | 89.5 | Confident | 87.2 | Confident | 105 Ų | 105 | 65.5 Ų | 65.5 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -80.3 | 146.6 | 170.3 | -57.9 | -89.1 | 0 | 0 | 0 | 110.1 | E491 E492 | N489-E491 PolarHBondContact O-N 3.25Å; N489-E492 HydrophobicContact CB-CG 4.16Å; N489-E492 PolarHBondContact N-OE1 3.06Å; N489-E492 PolarHBondContact ND2-OE1 2.91Å; N489-E492 WeakPolarHBondContact O-CB 3.22Å; N489-E492 PolarHBondContact O-N 2.92Å |
| 490 | P | 88.9 | Confident | 86.5 | Confident | 71 Ų | 71 | 74.6 Ų | 74.6 | 46% | 0.461 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -26 | -178.6 | -27.1 | 35.2 | 0 | 0 | 0 | 115.1 | V456 S457 | V456-P490 PolarHBondContact N-O 3.04Å; S457-P490 WeakPolarHBondContact CB-O 3.44Å; S457-P490 PolarHBondContact N-O 2.94Å; S457-P490 PolarHBondContact OG-O 3.3Å; S457-P490 VanDerWaalsContact OG-O 3.14Å |
| 491 | E | 90.2 | Very high | 86.4 | Confident | 120 Ų | 120 | 69.9 Ų | 69.9 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7.4 | -179.3 | -64.8 | -59.8 | 115.5 | 0 | 0 | 114.4 | R455 N489 | R455-E491 IonicContact CZ-OE2 2.73Å; R455-E491 IonicContact NH1-OE1 3.48Å; R455-E491 IonicContact NH1-OE2 2.87Å; R455-E491 PolarHBondContact NH1-OE2 3.05Å; R455-E491 IonicContact NH2-OE2 2.76Å; N489-E491 PolarHBondContact O-N 3.25Å |
| 492 | E | 89.1 | Confident | 86.6 | Confident | 45 Ų | 45 | 69 Ų | 69 | 21% | 0.21 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -74.2 | 150.3 | -179.7 | -69.8 | -177.4 | -120.7 | 0 | 0 | 112.6 | R455 V456 K486 N489 | R455-E492 CarbonylContact C-O 3.6Å; R455-E492 WeakPolarHBondContact CA-O 3.46Å; V456-E492 HydrophobicContact CG2-CB 4.27Å; V456-E492 PolarHBondContact N-O 3.39Å; K486-E492 WeakPolarHBondContact CE-OE2 3.36Å; K486-E492 IonicContact NZ-OE2 2.7Å; K486-E492 PolarHBondContact NZ-OE2 2.98Å; N489-E492 HydrophobicContact CB-CG 4.16Å; N489-E492 PolarHBondContact N-OE1 3.06Å; N489-E492 PolarHBondContact ND2-OE1 2.91Å; N489-E492 WeakPolarHBondContact O-CB 3.22Å; N489-E492 PolarHBondContact O-N 2.92Å |
| 493 | S | 86.8 | Confident | 86.8 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -70.8 | 138.4 | 179.1 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | S495 C496 | S493-S495 WeakPolarHBondContact CB-OG 3.41Å; S493-S495 PolarHBondContact O-N 3.43Å; S493-S495 VanDerWaalsContact O-N 3.16Å; S493-S495 WeakPolarHBondContact OG-CB 3.5Å; S493-S495 PolarHBondContact OG-N 2.97Å; S493-S495 VanDerWaalsContact OG-N 3.15Å; S493-S495 PolarHBondContact OG-OG 3.12Å; S493-C496 VanDerWaalsContact O-CB 3.32Å; S493-C496 WeakPolarHBondContact O-CB 3.49Å; S493-C496 PolarHBondContact O-N 3.45Å |
| 494 | L | 86.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -63.3 | -16.4 | 170.8 | -65.5 | 172.8 | 0 | 0 | 0 | 112.9 | R428 M430 V450 G454 R455 V456 L459 C496 I497 | R428-L494 PolarHBondContact NH1-O 3.08Å; M430-L494 HydrophobicContact SD-CD2 4.35Å; V450-L494 HydrophobicContact CB-CD1 3.85Å; V450-L494 HydrophobicContact CG2-CD1 3.77Å; G454-L494 WeakPolarHBondContact O-CG 3.48Å; G454-L494 PolarHBondContact O-N 3.43Å; R455-L494 WeakPolarHBondContact O-CD1 3.47Å; R455-L494 WeakPolarHBondContact O-CG 3.24Å; V456-L494 HydrophobicContact CG2-CD2 4.23Å; L459-L494 HydrophobicContact CB-CD2 3.84Å; L459-L494 HydrophobicContact CD2-CD2 4.15Å; L494-C496 PolarHBondContact O-N 2.84Å; L494-I497 HydrophobicContact CD2-CD1 4.31Å; L494-I497 PolarHBondContact O-N 3.17Å |
| 495 | S | 80.6 | Confident | 87.4 | Confident | 40 Ų | 40 | 62.5 Ų | 62.5 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -66.3 | -10.1 | 170.5 | 71 | 0 | 0 | 0 | 0 | 114 | S493 I497 | S493-S495 WeakPolarHBondContact CB-OG 3.41Å; S493-S495 PolarHBondContact O-N 3.43Å; S493-S495 VanDerWaalsContact O-N 3.16Å; S493-S495 WeakPolarHBondContact OG-CB 3.5Å; S493-S495 PolarHBondContact OG-N 2.97Å; S493-S495 VanDerWaalsContact OG-N 3.15Å; S493-S495 PolarHBondContact OG-OG 3.12Å; S495-I497 VanDerWaalsContact C-N 3.34Å |
| 496 | C | 82.9 | Confident | 87.7 | Confident | 62 Ų | 62 | 55 Ų | 55 | 42% | 0.419 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -91.2 | 6.5 | 175.5 | -61.1 | 0 | 0 | 0 | 0 | 113.5 | Y488 S493 L494 | Y488-C496 HydrophobicContact CE1-CB 4.14Å; Y488-C496 WeakPolarHBondContact CE1-O 3.45Å; Y488-C496 PolarHBondContact OH-O 3.3Å; S493-C496 VanDerWaalsContact O-CB 3.32Å; S493-C496 WeakPolarHBondContact O-CB 3.49Å; S493-C496 PolarHBondContact O-N 3.45Å; L494-C496 PolarHBondContact O-N 2.84Å |
| 497 | I | 85.4 | Confident | 87.9 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -117.7 | 127.8 | 173.2 | -66.1 | 165.9 | 0 | 0 | 0 | 107.4 | R428 M430 V456 L459 Y488 L494 S495 I503 | R428-I497 VanDerWaalsContact CZ-O 3.29Å; R428-I497 PolarHBondContact NH1-O 3.06Å; R428-I497 PolarHBondContact NH2-O 2.8Å; M430-I497 HydrophobicContact CE-CB 4.08Å; M430-I497 HydrophobicContact CE-CD1 4.01Å; M430-I497 HydrophobicContact CE-CG2 3.5Å; V456-I497 HydrophobicContact CG2-CD1 4.44Å; L459-I497 HydrophobicContact CD2-CD1 4.47Å; Y488-I497 HydrophobicContact CD1-CG1 4.38Å; Y488-I497 HydrophobicContact CE1-CD1 4.34Å; Y488-I497 HydrophobicContact CE1-CG1 3.67Å; Y488-I497 HydrophobicContact CE2-CD1 4.48Å; Y488-I497 HydrophobicContact CE2-CG1 4.06Å; Y488-I497 VanDerWaalsContact CZ-CG1 3.49Å; L494-I497 HydrophobicContact CD2-CD1 4.31Å; L494-I497 PolarHBondContact O-N 3.17Å; S495-I497 VanDerWaalsContact C-N 3.34Å; I497-I503 HydrophobicContact CG1-CD1 4.35Å; I497-I503 HydrophobicContact CG2-CD1 3.83Å; I497-I503 HydrophobicContact CG2-CG1 3.66Å |
| 498 | L | 81.1 | Confident | 87.8 | Confident | 67 Ų | 67 | 50.8 Ų | 50.8 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | trans | -96.6 | 156.1 | 179 | -46.9 | 171.3 | 0 | 0 | 0 | 110.5 | R500 D501 | L498-R500 HydrophobicContact CB-CG 4.14Å; L498-R500 PolarHBondContact O-N 3.24Å; L498-D501 WeakPolarHBondContact CA-OD2 3.43Å; L498-D501 WeakPolarHBondContact CB-OD2 3.35Å; L498-D501 WeakPolarHBondContact CG-OD2 3.36Å; L498-D501 PolarHBondContact N-OD2 2.81Å; L498-D501 PolarHBondContact O-N 3.06Å | ||
| 499 | D | 75.8 | Confident | 87.4 | Confident | 129 Ų | 129 | 52.7 Ų | 52.7 | 69% | 0.69 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 11.2 | -176.9 | -48.1 | -74.9 | 0 | 0 | 0 | 114.7 | R428 | R428-D499 IonicContact CZ-OD1 3.18Å; R428-D499 VanDerWaalsContact CZ-OD1 3.24Å; R428-D499 IonicContact NE-OD1 2.74Å; R428-D499 PolarHBondContact NE-OD1 3.32Å; R428-D499 IonicContact NH2-OD1 3.41Å; R428-D499 PolarHBondContact NH2-OD1 2.84Å; R428-D499 IonicContact NH2-OD2 3.27Å; R428-D499 PolarHBondContact NH2-OD2 3.33Å |
| 500 | R | 77.4 | Confident | 86.6 | Confident | 202 Ų | 202 | 54.5 Ų | 54.5 | 76% | 0.762 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | -5.4 | 179.6 | 71.7 | 178.1 | -174.3 | -179.7 | 0.4 | 113.1 | L498 | L498-R500 HydrophobicContact CB-CG 4.14Å; L498-R500 PolarHBondContact O-N 3.24Å |
| 501 | D | 86.1 | Confident | 85.4 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 16% | 0.16 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -88.2 | 131.9 | -172.5 | -54 | -19.7 | 0 | 0 | 0 | 107.8 | L498 I503 | L498-D501 WeakPolarHBondContact CA-OD2 3.43Å; L498-D501 WeakPolarHBondContact CB-OD2 3.35Å; L498-D501 WeakPolarHBondContact CG-OD2 3.36Å; L498-D501 PolarHBondContact N-OD2 2.81Å; L498-D501 PolarHBondContact O-N 3.06Å; D501-I503 HydrophobicContact CB-CD1 4.06Å; D501-I503 PolarHBondContact O-N 3.32Å |
| 502 | D | 89.9 | Confident | 84.3 | Confident | 88 Ų | 88 | 57.6 Ų | 57.6 | 47% | 0.471 | 30% | 0.295 | S | S | . | . | trans | -80.8 | 89 | -175.7 | -82.9 | -53.2 | 0 | 0 | 0 | 109.8 | V479 F504 | V479-D502 PolarHBondContact N-O 3.13Å; D502-F504 HydrophobicContact CB-CE2 4.21Å; D502-F504 WeakPolarHBondContact O-CD2 3.43Å | ||
| 503 | I | 95.1 | Very high | 83.1 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.015 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 119.9 | -174.8 | -57.9 | -51.6 | 0 | 0 | 0 | 112 | V432 F433 V476 A477 D478 Y488 I497 D501 V505 | V432-I503 CarbonylContact C-O 3.53Å; V432-I503 WeakPolarHBondContact CA-O 3.23Å; V432-I503 HydrophobicContact CB-CG2 4.39Å; V432-I503 HydrophobicContact CG1-CB 4.09Å; V432-I503 HydrophobicContact CG1-CG2 3.8Å; F433-I503 PolarHBondContact N-O 3.14Å; V476-I503 HydrophobicContact CG1-CG2 3.57Å; A477-I503 WeakPolarHBondContact O-CA 3.46Å; D478-I503 HydrophobicContact CB-CD1 3.78Å; Y488-I503 HydrophobicContact CE2-CD1 4.41Å; I497-I503 HydrophobicContact CG1-CD1 4.35Å; I497-I503 HydrophobicContact CG2-CD1 3.83Å; I497-I503 HydrophobicContact CG2-CG1 3.66Å; D501-I503 HydrophobicContact CB-CD1 4.06Å; D501-I503 PolarHBondContact O-N 3.32Å; I503-V505 HydrophobicContact CG2-CG2 4.46Å |
| 504 | F | 94.9 | Very high | 82.3 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 4% | 0.039 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 138.3 | 172.1 | -71.1 | -103.2 | 0 | 0 | 0 | 110.5 | F433 V435 A477 V479 D502 Y506 H545 | F433-F504 HydrophobicContact CB-CD1 3.47Å; F433-F504 VanDerWaalsContact CB-CD1 3.47Å; F433-F504 HydrophobicContact CB-CE1 3.55Å; F433-F504 HydrophobicContact CB-CG 3.99Å; F433-F504 HydrophobicContact CB-CZ 4.13Å; F433-F504 HydrophobicContact CD2-CD2 4.43Å; F433-F504 HydrophobicContact CD2-CE1 4.15Å; F433-F504 HydrophobicContact CD2-CE2 4Å; F433-F504 AromaticContact CD2-CZ 3.84Å; F433-F504 HydrophobicContact CD2-CZ 3.84Å; F433-F504 HydrophobicContact CE2-CZ 4.48Å; F433-F504 HydrophobicContact CG-CD1 4.28Å; F433-F504 AromaticContact CG-CE1 3.9Å; F433-F504 HydrophobicContact CG-CE1 3.9Å; F433-F504 HydrophobicContact CG-CZ 4.05Å; F433-F504 CarbonylContact O-C 3.53Å; F433-F504 WeakPolarHBondContact O-CA 3.32Å; V435-F504 HydrophobicContact CG2-CD1 3.8Å; A477-F504 PolarHBondContact N-O 2.98Å; A477-F504 PolarHBondContact O-N 3.36Å; V479-F504 HydrophobicContact CB-CD2 3.62Å; V479-F504 HydrophobicContact CB-CE2 3.86Å; V479-F504 HydrophobicContact CG1-CD2 4.4Å; V479-F504 HydrophobicContact CG1-CE2 4.26Å; V479-F504 HydrophobicContact CG2-CB 4.19Å; V479-F504 HydrophobicContact CG2-CD2 3.52Å; V479-F504 HydrophobicContact CG2-CE2 4.2Å; V479-F504 HydrophobicContact CG2-CG 4.05Å; D502-F504 HydrophobicContact CB-CE2 4.21Å; D502-F504 WeakPolarHBondContact O-CD2 3.43Å; F504-Y506 HydrophobicContact CB-CD2 4.2Å; F504-Y506 HydrophobicContact CB-CE2 3.41Å; F504-Y506 VanDerWaalsContact CB-CE2 3.41Å; F504-Y506 HydrophobicContact CG-CE2 4.45Å; F504-H545 AromaticContact CE1-CD2 3.76Å; F504-H545 AromaticContact CZ-CD2 3.39Å; F504-H545 WeakPolarHBondContact CZ-CD2 2.9Å; F504-H545 AromaticContact CZ-NE2 3.72Å |
| 505 | V | 95.5 | Very high | 81.8 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 111.5 | 175.8 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | V432 F433 F434 V435 L463 M474 V475 V476 I503 | V432-V505 HydrophobicContact CB-CG2 4.12Å; V432-V505 HydrophobicContact CG1-CG2 4.49Å; V432-V505 HydrophobicContact CG2-CG2 4.3Å; F433-V505 PolarHBondContact O-N 3.23Å; F434-V505 CarbonylContact C-O 3.55Å; F434-V505 WeakPolarHBondContact CA-O 3.25Å; F434-V505 HydrophobicContact CD2-CB 4.44Å; F434-V505 WeakPolarHBondContact CD2-O 3.44Å; V435-V505 PolarHBondContact N-O 3.16Å; L463-V505 HydrophobicContact CD2-CB 3.76Å; L463-V505 HydrophobicContact CD2-CG1 3.75Å; L463-V505 HydrophobicContact CD2-CG2 3.96Å; M474-V505 HydrophobicContact CB-CG1 3.85Å; M474-V505 HydrophobicContact CG-CG1 4.14Å; M474-V505 HydrophobicContact SD-CG1 4.1Å; V475-V505 WeakPolarHBondContact O-CA 3.5Å; V476-V505 HydrophobicContact CG1-CG2 4.35Å; V476-V505 HydrophobicContact CG2-CG1 4.13Å; V476-V505 HydrophobicContact CG2-CG2 4.03Å; I503-V505 HydrophobicContact CG2-CG2 4.46Å |
| 506 | Y | 94.1 | Very high | 81.8 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 0% | 0.004 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 130.1 | -173.4 | -63.7 | -96.9 | 0 | 0 | 0 | 111 | V435 M474 V475 A477 F484 F504 P546 L547 L548 | V435-Y506 HydrophobicContact CB-CD1 3.77Å; V435-Y506 HydrophobicContact CB-CE1 4.11Å; V435-Y506 HydrophobicContact CB-CG 4.37Å; V435-Y506 HydrophobicContact CG1-CD1 3.9Å; V435-Y506 HydrophobicContact CG1-CE1 4.12Å; V435-Y506 HydrophobicContact CG2-CD1 4.14Å; V435-Y506 HydrophobicContact CG2-CE1 4.02Å; M474-Y506 WeakPolarHBondContact CA-O 3.32Å; V475-Y506 PolarHBondContact N-O 3.45Å; V475-Y506 PolarHBondContact O-N 3.41Å; A477-Y506 HydrophobicContact CB-CE2 4.33Å; F484-Y506 AromaticContact CE1-CE2 3.73Å; F484-Y506 HydrophobicContact CE1-CE2 3.73Å; F484-Y506 AromaticContact CE1-CZ 3.78Å; F484-Y506 WeakPolarHBondContact CE1-OH 3.42Å; F484-Y506 HydrophobicContact CZ-CE2 4.3Å; F504-Y506 HydrophobicContact CB-CD2 4.2Å; F504-Y506 HydrophobicContact CB-CE2 3.41Å; F504-Y506 VanDerWaalsContact CB-CE2 3.41Å; F504-Y506 HydrophobicContact CG-CE2 4.45Å; Y506-P546 WeakPolarHBondContact CE1-O 3.4Å; Y506-P546 PolarHBondContact OH-O 2.81Å; Y506-L547 HydrophobicContact CE1-CD2 4.4Å; Y506-L548 HydrophobicContact CD1-CB 4.18Å; Y506-L548 HydrophobicContact CD2-CB 4.4Å; Y506-L548 HydrophobicContact CD2-CD1 3.76Å; Y506-L548 HydrophobicContact CD2-CG 4.36Å; Y506-L548 HydrophobicContact CE2-CD1 4.23Å; Y506-L548 HydrophobicContact CG-CB 3.97Å; Y506-L548 HydrophobicContact CG-CD1 4.15Å; Y506-L548 HydrophobicContact CG-CG 4.42Å |
| 507 | E | 93.9 | Very high | 81.9 | Confident | 28 Ų | 28 | 67.7 Ų | 67.7 | 13% | 0.131 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 131.5 | 167.2 | -170.2 | -172.2 | 171.3 | 0 | 0 | 109.9 | F434 V435 S436 L437 V469 Q473 | F434-E507 HydrophobicContact CE2-CB 4.09Å; F434-E507 HydrophobicContact CZ-CB 3.88Å; F434-E507 HydrophobicContact CZ-CG 4.37Å; V435-E507 PolarHBondContact O-N 3.37Å; S436-E507 WeakPolarHBondContact CA-OE2 3.44Å; S436-E507 VanDerWaalsContact CB-OE2 3.28Å; S436-E507 WeakPolarHBondContact CB-OE2 3.23Å; S436-E507 PolarHBondContact OG-OE2 3.31Å; L437-E507 HydrophobicContact CB-CG 4.33Å; L437-E507 HydrophobicContact CD1-CG 3.86Å; L437-E507 WeakPolarHBondContact CD2-O 3.48Å; L437-E507 HydrophobicContact CG-CB 4.03Å; L437-E507 HydrophobicContact CG-CG 3.69Å; L437-E507 PolarHBondContact N-OE2 3.39Å; V469-E507 HydrophobicContact CG1-CG 3.89Å; V469-E507 HydrophobicContact CG2-CG 4.22Å; Q473-E507 CarbonylContact O-C 3.58Å; Q473-E507 WeakPolarHBondContact O-CA 3.42Å |
| 508 | L | 88.6 | Confident | 82 | Confident | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | trans | -121.7 | 149.2 | 179.3 | -62.9 | 179.7 | 0 | 0 | 0 | 111.8 | Q473 V475 L517 L548 | Q473-L508 PolarHBondContact NE2-O 3.48Å; Q473-L508 PolarHBondContact O-N 3.09Å; V475-L508 HydrophobicContact CB-CD1 4.17Å; V475-L508 HydrophobicContact CG2-CD1 3.49Å; V475-L508 VanDerWaalsContact CG2-CD1 3.49Å; L508-L517 HydrophobicContact CD1-CD1 3.65Å; L508-L517 HydrophobicContact CD2-CD1 3.99Å; L508-L548 HydrophobicContact CD2-CB 4.23Å | ||
| 509 | S | 82.7 | Confident | 82.4 | Confident | 53 Ų | 53 | 65 Ų | 65 | 37% | 0.371 | 32% | 0.323 | S | S | . | . | trans | -62.2 | 151.8 | 165.8 | 41.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 510 | Q | 72.5 | Confident | 83.1 | Confident | 144 Ų | 144 | 58.9 Ų | 58.9 | 67% | 0.673 | 29% | 0.29 | S | S | * | . | trans | -52.5 | 140.9 | -179.4 | -66.9 | -177.7 | -15.8 | 0 | 0 | 111.4 | D512 N550 | Q510-D512 PolarHBondContact O-N 2.82Å; Q510-N550 PolarHBondContact O-ND2 3.15Å | ||
| 511 | Q | 64 | Low | 83.8 | Confident | 140 Ų | 140 | 49.3 Ų | 49.3 | 65% | 0.654 | 25% | 0.254 | S | S | * | . | trans | -81.8 | 100.2 | -178.9 | -71.8 | -177.6 | -11.1 | 0 | 0 | 110.6 | ||||
| 512 | D | 67.1 | Low | 84 | Confident | 116 Ų | 116 | 48 Ų | 48 | 62% | 0.62 | 25% | 0.247 | S | C | * | . | trans | -73.3 | 150.8 | 160 | -65 | -47.1 | 0 | 0 | 0 | 109.9 | Q510 D514 S515 | Q510-D512 PolarHBondContact O-N 2.82Å; D512-D514 PolarHBondContact O-N 2.67Å; D512-S515 PolarHBondContact N-OG 3.4Å; D512-S515 WeakPolarHBondContact O-CB 3.24Å; D512-S515 PolarHBondContact O-N 3.23Å; D512-S515 PolarHBondContact O-OG 3.16Å | ||
| 513 | E | 63.5 | Low | 84.1 | Confident | 201 Ų | 201 | 44 Ų | 44 | 94% | 0.939 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -19.9 | -178.8 | -63.9 | -173.5 | 145.3 | 0 | 0 | 114.2 | ||
| 514 | D | 70.9 | Confident | 83.8 | Confident | 86 Ų | 86 | 46 Ų | 46 | 46% | 0.46 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 19.7 | 177.2 | -160.2 | 49.6 | 0 | 0 | 0 | 113.4 | D512 R553 | D512-D514 PolarHBondContact O-N 2.67Å; D514-R553 WeakPolarHBondContact O-CB 3.37Å; D514-R553 WeakPolarHBondContact O-CD 3.29Å; D514-R553 VanDerWaalsContact O-CG 3.32Å; D514-R553 WeakPolarHBondContact O-CG 3.39Å; D514-R553 PolarHBondContact O-N 3.05Å; D514-R553 WeakPolarHBondContact OD1-CD 3.3Å; D514-R553 IonicContact OD1-NH1 3.76Å; D514-R553 PolarHBondContact OD1-NH1 3.33Å |
| 515 | S | 75.3 | Confident | 83.3 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 153.3 | 177.9 | 69.9 | 0 | 0 | 0 | 0 | 113.3 | D512 N550 V551 | D512-S515 PolarHBondContact N-OG 3.4Å; D512-S515 WeakPolarHBondContact O-CB 3.24Å; D512-S515 PolarHBondContact O-N 3.23Å; D512-S515 PolarHBondContact O-OG 3.16Å; S515-N550 WeakPolarHBondContact CB-ND2 3.49Å; S515-N550 VanDerWaalsContact CB-OD1 3.28Å; S515-N550 WeakPolarHBondContact CB-OD1 3.49Å; S515-N550 PolarHBondContact OG-ND2 2.92Å; S515-N550 PolarHBondContact OG-OD1 3.17Å; S515-V551 WeakPolarHBondContact CA-O 3.39Å |
| 516 | V | 80.9 | Confident | 82.4 | Confident | 41 Ų | 41 | 50.6 Ų | 50.6 | 25% | 0.248 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 127.7 | -179.3 | 173.3 | 0 | 0 | 0 | 0 | 109.9 | L518 N550 V551 R553 | V516-L518 PolarHBondContact O-N 3.16Å; V516-N550 VanDerWaalsContact C-OD1 3.24Å; V516-N550 PolarHBondContact N-OD1 3.4Å; V516-N550 PolarHBondContact O-OD1 3.4Å; V516-V551 PolarHBondContact N-O 2.91Å; V516-V551 PolarHBondContact O-N 3.38Å; V516-R553 HydrophobicContact CG2-CG 3.65Å |
| 517 | L | 85.3 | Confident | 80.8 | Confident | 53 Ų | 53 | 57.1 Ų | 57.1 | 28% | 0.277 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 120.7 | 170.3 | -177.5 | 58 | 0 | 0 | 0 | 110.1 | V475 L508 L548 P785 | V475-L517 HydrophobicContact CG2-CD2 4.47Å; L508-L517 HydrophobicContact CD1-CD1 3.65Å; L508-L517 HydrophobicContact CD2-CD1 3.99Å; L517-L548 HydrophobicContact CD1-CB 4.13Å; L517-L548 HydrophobicContact CD1-CD2 3.93Å; L517-L548 HydrophobicContact CD2-CD2 4.39Å; L517-L548 HydrophobicContact CG-CD2 4.09Å; L517-P785 WeakPolarHBondContact O-CB 3.39Å |
| 518 | L | 87.5 | Confident | 78.9 | Confident | 9 Ų | 9 | 64.7 Ų | 64.7 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.5 | -178.5 | -163.4 | 76.1 | 0 | 0 | 0 | 110.2 | V516 L549 V551 F565 V787 | V516-L518 PolarHBondContact O-N 3.16Å; L518-L549 PolarHBondContact N-O 2.87Å; L518-L549 PolarHBondContact O-N 2.99Å; L518-V551 HydrophobicContact CB-CG2 4.27Å; L518-V551 HydrophobicContact CD2-CG2 4.41Å; L518-F565 HydrophobicContact CD2-CE1 4.03Å; L518-F565 HydrophobicContact CD2-CZ 3.71Å; L518-V787 HydrophobicContact CD1-CB 4.45Å; L518-V787 HydrophobicContact CD1-CG2 3.86Å; L518-V787 HydrophobicContact CD2-CB 4.26Å; L518-V787 HydrophobicContact CD2-CG2 4.19Å; L518-V787 HydrophobicContact CG-CB 4.43Å; L518-V787 HydrophobicContact CG-CG2 4.32Å |
| 519 | A | 90 | Very high | 77.2 | Confident | 4 Ų | 4 | 71 Ų | 71 | 3% | 0.033 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 121.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | F484 L548 P785 Y786 V787 | F484-A519 HydrophobicContact CD2-CB 3.91Å; F484-A519 HydrophobicContact CE2-CB 3.8Å; A519-L548 HydrophobicContact CB-CD2 4.01Å; A519-P785 PolarHBondContact N-O 2.87Å; A519-Y786 HydrophobicContact CB-CD1 3.47Å; A519-Y786 VanDerWaalsContact CB-CD1 3.47Å; A519-Y786 HydrophobicContact CB-CE1 3.83Å; A519-Y786 HydrophobicContact CB-CG 4.32Å; A519-Y786 WeakPolarHBondContact O-CA 3.38Å; A519-V787 PolarHBondContact O-N 3.08Å |
| 520 | L | 90.7 | Very high | 75.4 | Confident | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 118.4 | -170.6 | -173.6 | 64 | 0 | 0 | 0 | 111 | P546 L547 L549 F565 V787 I789 | L520-P546 WeakPolarHBondContact O-CA 3.47Å; L520-L547 HydrophobicContact CB-CB 4.21Å; L520-L547 WeakPolarHBondContact CB-O 3.43Å; L520-L547 HydrophobicContact CD2-CB 4.4Å; L520-L547 HydrophobicContact CD2-CD1 4.36Å; L520-L547 PolarHBondContact N-O 2.79Å; L520-L547 PolarHBondContact O-N 3.38Å; L520-L549 HydrophobicContact CD2-CD1 3.92Å; L520-F565 HydrophobicContact CD1-CD1 4.4Å; L520-F565 HydrophobicContact CD1-CD2 4.02Å; L520-F565 HydrophobicContact CD1-CE1 4.06Å; L520-F565 HydrophobicContact CD1-CE2 3.63Å; L520-F565 HydrophobicContact CD1-CG 4.4Å; L520-F565 HydrophobicContact CD1-CZ 3.66Å; L520-F565 HydrophobicContact CD2-CD1 3.71Å; L520-F565 HydrophobicContact CD2-CD2 4.42Å; L520-F565 HydrophobicContact CD2-CE1 3.94Å; L520-F565 HydrophobicContact CD2-CG 3.99Å; L520-F565 HydrophobicContact CD2-CZ 4.39Å; L520-V787 CarbonylContact C-O 3.56Å; L520-V787 WeakPolarHBondContact CA-O 3.27Å; L520-V787 HydrophobicContact CD1-CB 4.3Å; L520-V787 HydrophobicContact CD1-CG1 3.84Å; L520-I789 HydrophobicContact CD1-CD1 3.89Å; L520-I789 HydrophobicContact CD1-CG1 3.85Å; L520-I789 HydrophobicContact CD2-CD1 3.94Å; L520-I789 HydrophobicContact CG-CD1 4.11Å |
| 521 | Y | 91.8 | Very high | 74.3 | Confident | 1 Ų | 1 | 76.9 Ų | 76.9 | 0% | 0.004 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 151.2 | 177.7 | -62.4 | -46.8 | 0 | 0 | 0 | 111.9 | R483 F484 L542 P546 V762 S764 Y786 V787 A788 I789 | R483-Y521 HydrophobicContact CB-CD1 4.42Å; R483-Y521 HydrophobicContact CB-CE1 3.86Å; F484-Y521 AromaticContact CD2-CE1 3.62Å; F484-Y521 HydrophobicContact CD2-CE1 3.62Å; F484-Y521 HydrophobicContact CE2-CE1 4.12Å; F484-Y521 HydrophobicContact CG-CE1 4.4Å; Y521-L542 HydrophobicContact CG-CD2 4.21Å; Y521-P546 HydrophobicContact CD1-CB 3.81Å; Y521-P546 HydrophobicContact CE1-CB 4.03Å; Y521-V762 HydrophobicContact CD2-CG2 3.98Å; Y521-S764 PolarHBondContact OH-O 3.39Å; Y521-Y786 AromaticContact CE2-CD1 3.89Å; Y521-Y786 HydrophobicContact CE2-CD1 3.89Å; Y521-V787 PolarHBondContact N-O 3.37Å; Y521-A788 CarbonylContact O-C 3.57Å; Y521-A788 WeakPolarHBondContact O-CA 3.45Å; Y521-I789 PolarHBondContact O-N 2.76Å |
| 522 | L | 90.4 | Very high | 73.6 | Confident | 3 Ų | 3 | 74.2 Ų | 74.2 | 2% | 0.016 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.1 | 173.8 | -66 | 164.1 | 0 | 0 | 0 | 108.5 | L542 F543 L569 I789 Y800 | L522-L542 WeakPolarHBondContact O-CA 3.27Å; L522-F543 HydrophobicContact CB-CD1 4.48Å; L522-F543 HydrophobicContact CB-CD2 4.44Å; L522-F543 HydrophobicContact CB-CE1 4.27Å; L522-F543 HydrophobicContact CB-CE2 4.21Å; L522-F543 HydrophobicContact CB-CZ 4.13Å; L522-F543 WeakPolarHBondContact CB-O 3.43Å; L522-F543 PolarHBondContact O-N 2.82Å; L522-L569 HydrophobicContact CD2-CD1 4.18Å; L522-L569 HydrophobicContact CD2-CD2 4.27Å; L522-I789 HydrophobicContact CD2-CB 4.25Å; L522-I789 HydrophobicContact CD2-CD1 4.37Å; L522-I789 HydrophobicContact CD2-CG2 4.39Å; L522-Y800 HydrophobicContact CD1-CE2 4.48Å |
| 523 | R | 90.8 | Very high | 72.4 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.008 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 145.3 | 178.9 | -64.6 | -167.6 | -49.6 | -173 | 9.2 | 111.6 | T541 L542 F543 G766 A788 I789 D790 W791 | R523-T541 CarbonylContact C-O 3.48Å; R523-T541 WeakPolarHBondContact CA-O 3.47Å; R523-L542 HydrophobicContact CG-CD2 3.76Å; R523-L542 HydrophobicContact CG-CG 4.4Å; R523-F543 VanDerWaalsContact C-CE1 3.45Å; R523-G766 WeakPolarHBondContact CD-O 3.49Å; R523-G766 PolarHBondContact NH1-O 3.38Å; R523-A788 HydrophobicContact CG-CB 4.04Å; R523-I789 PolarHBondContact N-O 3.36Å; R523-I789 VanDerWaalsContact O-O 3.13Å; R523-D790 IonicContact CZ-OD1 3.91Å; R523-D790 IonicContact NE-OD1 3.85Å; R523-D790 PolarHBondContact NE-OD1 3.08Å; R523-D790 VanDerWaalsContact NH2-CG 3.31Å; R523-D790 IonicContact NH2-OD1 2.74Å; R523-D790 PolarHBondContact NH2-OD1 3.27Å; R523-D790 IonicContact NH2-OD2 2.65Å; R523-D790 PolarHBondContact NH2-OD2 2.94Å; R523-W791 PolarHBondContact O-N 3.3Å |
| 524 | E | 89.1 | Confident | 71.5 | Confident | 46 Ų | 46 | 67.2 Ų | 67.2 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 144.9 | 169.6 | 178.7 | 167 | -145.9 | 0 | 0 | 109 | T540 T541 F543 P793 K796 | E524-T540 CarbonylContact O-C 3.47Å; E524-T540 VanDerWaalsContact O-CA 3.22Å; E524-T540 WeakPolarHBondContact O-CA 3.49Å; E524-T541 PolarHBondContact N-O 2.83Å; E524-T541 PolarHBondContact O-N 2.74Å; E524-F543 HydrophobicContact CB-CD1 3.89Å; E524-F543 HydrophobicContact CB-CE1 3.83Å; E524-P793 HydrophobicContact CG-CG 4.23Å; E524-K796 HydrophobicContact CB-CD 4.41Å; E524-K796 VanDerWaalsContact CD-CD 3.4Å; E524-K796 HydrophobicContact CG-CD 4.15Å; E524-K796 WeakPolarHBondContact OE1-CD 3.48Å; E524-K796 IonicContact OE1-NZ 2.93Å; E524-K796 IonicContact OE2-NZ 2.72Å; E524-K796 PolarHBondContact OE2-NZ 2.85Å |
| 525 | R | 84.9 | Confident | 70.2 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 23% | 0.23 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 144.3 | 178.1 | -71.7 | -179.1 | 175.2 | 154.6 | 4.8 | 111.9 | T540 T758 D790 W791 P793 | R525-T540 HydrophobicContact CG-CG2 3.96Å; R525-T758 PolarHBondContact NH2-OG1 2.63Å; R525-D790 IonicContact CZ-OD2 2.68Å; R525-D790 IonicContact NE-OD2 3.78Å; R525-D790 PolarHBondContact NE-OD2 3.24Å; R525-D790 VanDerWaalsContact NH2-CB 3.34Å; R525-D790 IonicContact NH2-OD2 3.17Å; R525-D790 PolarHBondContact NH2-OD2 3.24Å; R525-W791 PolarHBondContact N-O 2.89Å; R525-W791 VanDerWaalsContact N-O 3.08Å; R525-P793 WeakPolarHBondContact O-CG 3.32Å |
| 526 | S | 75.9 | Confident | 68.7 | Low | 45 Ų | 45 | 69 Ų | 69 | 32% | 0.315 | 36% | 0.362 | S | S | . | . | trans | -64.2 | 135.4 | 170.4 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | Y528 Y538 G539 | S526-Y528 PolarHBondContact O-N 2.96Å; S526-Y528 PolarHBondContact OG-N 3.31Å; S526-Y528 PolarHBondContact OG-O 2.93Å; S526-Y538 WeakPolarHBondContact O-CD1 3.39Å; S526-G539 WeakPolarHBondContact CB-O 3.3Å; S526-G539 PolarHBondContact N-O 2.97Å | ||
| 527 | H | 60.4 | Low | 67.3 | Low | 139 Ų | 139 | 69.8 Ų | 69.8 | 64% | 0.644 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -64.5 | -18.3 | 168.5 | -78 | -73.2 | 0 | 0 | 0 | 113.5 | P793 | H527-P793 WeakPolarHBondContact NE2-CB 3.25Š|
| 528 | Y | 54.5 | Low | 65.9 | Low | 187 Ų | 187 | 71.9 Ų | 71.9 | 73% | 0.733 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -108.4 | 134.9 | 179 | -77.8 | -85.7 | 0 | 0 | 0 | 111.8 | S526 | S526-Y528 PolarHBondContact O-N 2.96Å; S526-Y528 PolarHBondContact OG-N 3.31Å; S526-Y528 PolarHBondContact OG-O 2.93Å |
| 529 | R | 53.8 | Low | 65 | Low | 136 Ų | 136 | 72.6 Ų | 72.6 | 51% | 0.513 | 38% | 0.384 | S | S | . | . | trans | -69.5 | 132.5 | 164.4 | -90.1 | 175.2 | 147.2 | 157.7 | -8.3 | 110.2 | Y531 N536 Y538 | R529-Y531 HydrophobicContact CB-CE2 4.4Å; R529-Y531 WeakPolarHBondContact O-CD2 3.1Å; R529-Y531 PolarHBondContact O-N 3.48Å; R529-N536 PolarHBondContact NH2-OD1 2.9Å; R529-Y538 HydrophobicContact CG-CD1 4.37Å; R529-Y538 HydrophobicContact CG-CE1 3.9Å | ||
| 530 | D | 44.9 | Very low | 64.5 | Low | 97 Ų | 97 | 75 Ų | 75 | 52% | 0.519 | 40% | 0.398 | S | S | . | . | trans | -74.9 | 87.9 | 173.6 | -79.5 | -47.6 | 0 | 0 | 0 | 111.2 | G532 S533 | D530-G532 PolarHBondContact O-N 3.02Å; D530-S533 PolarHBondContact O-N 3.42Å | ||
| 531 | Y | 47.8 | Very low | 64.3 | Low | 225 Ų | 225 | 79 Ų | 79 | 88% | 0.882 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -6.8 | 177.6 | -84.7 | -90.8 | 0 | 0 | 0 | 115.1 | R529 | R529-Y531 HydrophobicContact CB-CE2 4.4Å; R529-Y531 WeakPolarHBondContact O-CD2 3.1Å; R529-Y531 PolarHBondContact O-N 3.48Å |
| 532 | G | 50.5 | Low | 64.2 | Low | 83 Ų | 83 | 80.9 Ų | 80.9 | 86% | 0.856 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -3.5 | 174 | 0 | 0 | 0 | 0 | 0 | 115.9 | D530 | D530-G532 PolarHBondContact O-N 3.02Š|
| 533 | S | 42.2 | Very low | 64.2 | Low | 39 Ų | 39 | 81.6 Ų | 81.6 | 27% | 0.273 | 44% | 0.436 | S | S | . | . | trans | -116.9 | 124.5 | -175.4 | 170 | 0 | 0 | 0 | 0 | 112.5 | D530 S535 R770 | D530-S533 PolarHBondContact O-N 3.42Å; S533-S535 PolarHBondContact O-N 3.38Å; S533-R770 PolarHBondContact OG-NH2 3.4Å | ||
| 534 | S | 43.4 | Very low | 64 | Low | 132 Ų | 132 | 81.8 Ų | 81.8 | 92% | 0.923 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -73.3 | 39.7 | 175.1 | -40.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 535 | S | 44.7 | Very low | 63.9 | Low | 54 Ų | 54 | 82.6 Ų | 82.6 | 38% | 0.378 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -152.5 | 135.1 | 179.8 | -175.2 | 0 | 0 | 0 | 0 | 109 | S533 S537 | S533-S535 PolarHBondContact O-N 3.38Å; S535-S537 PolarHBondContact O-N 2.81Å |
| 536 | N | 42.5 | Very low | 64.3 | Low | 89 Ų | 89 | 79.7 Ų | 79.7 | 48% | 0.476 | 43% | 0.432 | S | S | . | . | trans | -73.8 | 25.5 | -164 | -161.2 | 25.4 | 0 | 0 | 0 | 114.7 | R529 E774 | R529-N536 PolarHBondContact NH2-OD1 2.9Å; N536-E774 PolarHBondContact ND2-OE1 3.15Å; N536-E774 VanDerWaalsContact ND2-OE1 3.15Å | ||
| 537 | S | 51.7 | Low | 65 | Low | 59 Ų | 59 | 78.2 Ų | 78.2 | 41% | 0.413 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -94.2 | 122.6 | -172.8 | 59.9 | 0 | 0 | 0 | 0 | 112.6 | S535 | S535-S537 PolarHBondContact O-N 2.81Š|
| 538 | Y | 57.1 | Low | 66.4 | Low | 96 Ų | 96 | 71.6 Ų | 71.6 | 38% | 0.376 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 139 | 161.3 | -60.7 | -87.1 | 0 | 0 | 0 | 110.5 | S526 R529 | S526-Y538 WeakPolarHBondContact O-CD1 3.39Å; R529-Y538 HydrophobicContact CG-CD1 4.37Å; R529-Y538 HydrophobicContact CG-CE1 3.9Å |
| 539 | G | 67.6 | Low | 67.9 | Low | 25 Ų | 25 | 63.3 Ų | 63.3 | 26% | 0.258 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 147.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S526 | S526-G539 WeakPolarHBondContact CB-O 3.3Å; S526-G539 PolarHBondContact N-O 2.97Å |
| 540 | T | 80.6 | Confident | 69.4 | Low | 53 Ų | 53 | 57.6 Ų | 57.6 | 33% | 0.325 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 142.5 | -179.2 | 45.1 | 0 | 0 | 0 | 0 | 112.5 | E524 R525 | E524-T540 CarbonylContact O-C 3.47Å; E524-T540 VanDerWaalsContact O-CA 3.22Å; E524-T540 WeakPolarHBondContact O-CA 3.49Å; R525-T540 HydrophobicContact CG-CG2 3.96Å |
| 541 | T | 86.4 | Confident | 71.2 | Confident | 86 Ų | 86 | 53.2 Ų | 53.2 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.3 | 179.1 | 46.7 | 0 | 0 | 0 | 0 | 110.5 | R523 E524 | R523-T541 CarbonylContact C-O 3.48Å; R523-T541 WeakPolarHBondContact CA-O 3.47Å; E524-T541 PolarHBondContact N-O 2.83Å; E524-T541 PolarHBondContact O-N 2.74Å |
| 542 | L | 88.8 | Confident | 72.6 | Confident | 42 Ų | 42 | 45.5 Ų | 45.5 | 22% | 0.22 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 142 | 174.3 | -72.1 | 161.6 | 0 | 0 | 0 | 110.6 | H482 R483 Y521 L522 R523 | H482-L542 HydrophobicContact CB-CB 3.91Å; H482-L542 PolarHBondContact CD2-O 3.24Å; R483-L542 HydrophobicContact CB-CD1 4.3Å; Y521-L542 HydrophobicContact CG-CD2 4.21Å; L522-L542 WeakPolarHBondContact O-CA 3.27Å; R523-L542 HydrophobicContact CG-CD2 3.76Å; R523-L542 HydrophobicContact CG-CG 4.4Å |
| 543 | F | 89.8 | Confident | 73.6 | Confident | 18 Ų | 18 | 48.1 Ų | 48.1 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | trans | -146.5 | 167.8 | 176.4 | 72 | -92.7 | 0 | 0 | 0 | 112.7 | L522 R523 E524 W791 K796 Y800 | L522-F543 HydrophobicContact CB-CD1 4.48Å; L522-F543 HydrophobicContact CB-CD2 4.44Å; L522-F543 HydrophobicContact CB-CE1 4.27Å; L522-F543 HydrophobicContact CB-CE2 4.21Å; L522-F543 HydrophobicContact CB-CZ 4.13Å; L522-F543 WeakPolarHBondContact CB-O 3.43Å; L522-F543 PolarHBondContact O-N 2.82Å; R523-F543 VanDerWaalsContact C-CE1 3.45Å; E524-F543 HydrophobicContact CB-CD1 3.89Å; E524-F543 HydrophobicContact CB-CE1 3.83Å; F543-W791 AromaticContact CE1-CD1 3.93Å; F543-W791 HydrophobicContact CE1-CG 4.41Å; F543-W791 AromaticContact CZ-CD1 3.56Å; F543-W791 HydrophobicContact CZ-CG 4.07Å; F543-K796 HydrophobicContact CE1-CD 4.18Å; F543-K796 HydrophobicContact CE2-CD 4.48Å; F543-K796 HydrophobicContact CZ-CD 4Å; F543-K796 HydrophobicContact CZ-CG 4.26Å; F543-Y800 HydrophobicContact CD2-CE1 4.39Å; F543-Y800 HydrophobicContact CE2-CD1 4.22Å; F543-Y800 HydrophobicContact CE2-CD2 4.41Å; F543-Y800 AromaticContact CE2-CE1 3.72Å; F543-Y800 HydrophobicContact CE2-CE1 3.72Å; F543-Y800 AromaticContact CE2-CE2 3.92Å; F543-Y800 HydrophobicContact CE2-CE2 3.92Å; F543-Y800 AromaticContact CE2-CZ 3.57Å; F543-Y800 HydrophobicContact CZ-CE2 4.45Å | ||
| 544 | G | 86.7 | Confident | 74.6 | Confident | 6 Ų | 6 | 50 Ų | 50 | 6% | 0.062 | 30% | 0.301 | C | S | . | . | S | Bend | trans | 66.7 | -157 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | H482 | H482-G544 PolarHBondContact ND1-N 2.81Å; H482-G544 PolarHBondContact ND1-O 3.44Å |
| 545 | H | 88.3 | Confident | 75.3 | Confident | 62 Ų | 62 | 46.1 Ų | 46.1 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | trans | -103.9 | 130.7 | 179 | -64.5 | 101.3 | 0 | 0 | 0 | 110.4 | F504 | F504-H545 AromaticContact CE1-CD2 3.76Å; F504-H545 AromaticContact CZ-CD2 3.39Å; F504-H545 WeakPolarHBondContact CZ-CD2 2.9Å; F504-H545 AromaticContact CZ-NE2 3.72Å | ||
| 546 | P | 91.9 | Very high | 76.2 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | trans | -71 | 158.5 | 174 | 34.9 | -37.6 | 0 | 0 | 0 | 110.5 | V479 F484 Y506 L520 Y521 | V479-P546 HydrophobicContact CB-CG 4.48Å; V479-P546 HydrophobicContact CG1-CG 3.68Å; V479-P546 HydrophobicContact CG2-CG 3.92Å; F484-P546 HydrophobicContact CD1-CG 4.14Å; F484-P546 HydrophobicContact CD2-CB 4.28Å; F484-P546 HydrophobicContact CE1-CB 4.15Å; F484-P546 HydrophobicContact CE1-CG 3.76Å; F484-P546 HydrophobicContact CE2-CB 3.72Å; F484-P546 HydrophobicContact CE2-CG 4.21Å; F484-P546 HydrophobicContact CZ-CB 3.63Å; F484-P546 HydrophobicContact CZ-CG 3.78Å; Y506-P546 WeakPolarHBondContact CE1-O 3.4Å; Y506-P546 PolarHBondContact OH-O 2.81Å; L520-P546 WeakPolarHBondContact O-CA 3.47Å; Y521-P546 HydrophobicContact CD1-CB 3.81Å; Y521-P546 HydrophobicContact CE1-CB 4.03Å | ||
| 547 | L | 90.8 | Very high | 77.8 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 143.5 | -175.7 | -60.4 | 172.3 | 0 | 0 | 0 | 111 | Y506 L520 R568 L569 | Y506-L547 HydrophobicContact CE1-CD2 4.4Å; L520-L547 HydrophobicContact CB-CB 4.21Å; L520-L547 WeakPolarHBondContact CB-O 3.43Å; L520-L547 HydrophobicContact CD2-CB 4.4Å; L520-L547 HydrophobicContact CD2-CD1 4.36Å; L520-L547 PolarHBondContact N-O 2.79Å; L520-L547 PolarHBondContact O-N 3.38Å; L547-R568 HydrophobicContact CD1-CG 3.94Å; L547-L569 HydrophobicContact CD1-CD2 3.81Å |
| 548 | L | 89.8 | Confident | 78.8 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 138.2 | 165.9 | -75.3 | 167.5 | 0 | 0 | 0 | 109.8 | V475 F484 I487 Y506 L508 L517 A519 | V475-L548 HydrophobicContact CB-CD1 4.33Å; V475-L548 HydrophobicContact CG1-CD1 3.72Å; F484-L548 HydrophobicContact CE1-CD1 4.32Å; F484-L548 HydrophobicContact CE1-CG 4.25Å; F484-L548 HydrophobicContact CE2-CD2 4.15Å; F484-L548 HydrophobicContact CE2-CG 4.12Å; F484-L548 HydrophobicContact CZ-CD1 4.24Å; F484-L548 HydrophobicContact CZ-CD2 4.22Å; F484-L548 HydrophobicContact CZ-CG 3.68Å; I487-L548 HydrophobicContact CD1-CD1 4.35Å; I487-L548 HydrophobicContact CD1-CD2 3.98Å; Y506-L548 HydrophobicContact CD1-CB 4.18Å; Y506-L548 HydrophobicContact CD2-CB 4.4Å; Y506-L548 HydrophobicContact CD2-CD1 3.76Å; Y506-L548 HydrophobicContact CD2-CG 4.36Å; Y506-L548 HydrophobicContact CE2-CD1 4.23Å; Y506-L548 HydrophobicContact CG-CB 3.97Å; Y506-L548 HydrophobicContact CG-CD1 4.15Å; Y506-L548 HydrophobicContact CG-CG 4.42Å; L508-L548 HydrophobicContact CD2-CB 4.23Å; L517-L548 HydrophobicContact CD1-CB 4.13Å; L517-L548 HydrophobicContact CD1-CD2 3.93Å; L517-L548 HydrophobicContact CD2-CD2 4.39Å; L517-L548 HydrophobicContact CG-CD2 4.09Å; A519-L548 HydrophobicContact CB-CD2 4.01Å |
| 549 | L | 87.4 | Confident | 79.9 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 137.9 | -179 | -69.5 | 173.7 | 0 | 0 | 0 | 109.8 | L518 L520 V551 F565 R568 | L518-L549 PolarHBondContact N-O 2.87Å; L518-L549 PolarHBondContact O-N 2.99Å; L520-L549 HydrophobicContact CD2-CD1 3.92Å; L549-V551 HydrophobicContact CB-CG2 4.35Å; L549-F565 HydrophobicContact CD1-CD1 3.81Å; L549-F565 HydrophobicContact CD1-CE1 3.82Å; L549-R568 HydrophobicContact CD2-CG 4.05Å |
| 550 | N | 85.7 | Confident | 80.4 | Confident | 16 Ų | 16 | 48.7 Ų | 48.7 | 9% | 0.086 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 124.9 | 169.6 | -168.9 | 26.3 | 0 | 0 | 0 | 109.8 | Q510 S515 V516 | Q510-N550 PolarHBondContact O-ND2 3.15Å; S515-N550 WeakPolarHBondContact CB-ND2 3.49Å; S515-N550 VanDerWaalsContact CB-OD1 3.28Å; S515-N550 WeakPolarHBondContact CB-OD1 3.49Å; S515-N550 PolarHBondContact OG-ND2 2.92Å; S515-N550 PolarHBondContact OG-OD1 3.17Å; V516-N550 VanDerWaalsContact C-OD1 3.24Å; V516-N550 PolarHBondContact N-OD1 3.4Å; V516-N550 PolarHBondContact O-OD1 3.4Å |
| 551 | V | 81.4 | Confident | 80.5 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 125.1 | -170.3 | -175 | 0 | 0 | 0 | 0 | 110.6 | S515 V516 L518 L549 R553 L561 L564 | S515-V551 WeakPolarHBondContact CA-O 3.39Å; V516-V551 PolarHBondContact N-O 2.91Å; V516-V551 PolarHBondContact O-N 3.38Å; L518-V551 HydrophobicContact CB-CG2 4.27Å; L518-V551 HydrophobicContact CD2-CG2 4.41Å; L549-V551 HydrophobicContact CB-CG2 4.35Å; V551-R553 PolarHBondContact O-N 3.48Å; V551-L561 HydrophobicContact CG1-CD2 4.01Å; V551-L564 HydrophobicContact CG2-CD2 4.07Å |
| 552 | P | 78.5 | Confident | 80.5 | Confident | 64 Ų | 64 | 44.5 Ų | 44.5 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 130.3 | 173.3 | -21.1 | 33 | 0 | 0 | 0 | 111.9 | G554 S555 | P552-G554 VanDerWaalsContact C-N 3.26Å; P552-G554 PolarHBondContact O-N 2.92Å; P552-S555 WeakPolarHBondContact O-CB 3.37Å; P552-S555 PolarHBondContact O-N 3.08Å; P552-S555 PolarHBondContact O-OG 3.45Å |
| 553 | R | 70.2 | Confident | 80.2 | Confident | 138 Ų | 138 | 45.9 Ų | 45.9 | 52% | 0.521 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -58.3 | -36.7 | -176.8 | -70.9 | 160 | 171.3 | 167.2 | 4.6 | 112.9 | D514 V516 V551 S555 C556 | D514-R553 WeakPolarHBondContact O-CB 3.37Å; D514-R553 WeakPolarHBondContact O-CD 3.29Å; D514-R553 VanDerWaalsContact O-CG 3.32Å; D514-R553 WeakPolarHBondContact O-CG 3.39Å; D514-R553 PolarHBondContact O-N 3.05Å; D514-R553 WeakPolarHBondContact OD1-CD 3.3Å; D514-R553 IonicContact OD1-NH1 3.76Å; D514-R553 PolarHBondContact OD1-NH1 3.33Å; V516-R553 HydrophobicContact CG2-CG 3.65Å; V551-R553 PolarHBondContact O-N 3.48Å; R553-S555 PolarHBondContact O-N 3.03Å; R553-S555 VanDerWaalsContact O-N 3.08Å; R553-C556 PolarHBondContact O-N 2.82Å |
| 554 | G | 63.3 | Low | 80.1 | Confident | 78 Ų | 78 | 48 Ų | 48 | 80% | 0.804 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -63.1 | -6.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | P552 | P552-G554 VanDerWaalsContact C-N 3.26Å; P552-G554 PolarHBondContact O-N 2.92Å |
| 555 | S | 58.7 | Low | 80.1 | Confident | 50 Ų | 50 | 47.7 Ų | 47.7 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -111.3 | 4.3 | -177.7 | 70.8 | 0 | 0 | 0 | 0 | 115.1 | P552 R553 S557 A560 | P552-S555 WeakPolarHBondContact O-CB 3.37Å; P552-S555 PolarHBondContact O-N 3.08Å; P552-S555 PolarHBondContact O-OG 3.45Å; R553-S555 PolarHBondContact O-N 3.03Å; R553-S555 VanDerWaalsContact O-N 3.08Å; S555-S557 PolarHBondContact O-N 3.44Å; S555-A560 VanDerWaalsContact O-CB 3.27Å; S555-A560 WeakPolarHBondContact O-CB 3.45Å |
| 556 | C | 64.1 | Low | 80 | Confident | 41 Ų | 41 | 46.8 Ų | 46.8 | 28% | 0.277 | 27% | 0.273 | S | S | . | . | trans | -75.3 | 41.3 | -172.4 | -62.4 | 0 | 0 | 0 | 0 | 116.1 | R553 F781 | R553-C556 PolarHBondContact O-N 2.82Å; C556-F781 HydrophobicContact CB-CD2 3.72Å; C556-F781 HydrophobicContact CB-CE2 3.99Å | ||
| 557 | S | 75.4 | Confident | 79.7 | Confident | 53 Ų | 53 | 52.8 Ų | 52.8 | 37% | 0.371 | 30% | 0.301 | S | S | . | . | trans | -75.4 | 149.8 | 165.1 | 118.6 | 0 | 0 | 0 | 0 | 110.3 | S555 E559 A560 L561 | S555-S557 PolarHBondContact O-N 3.44Å; S557-E559 VanDerWaalsContact C-N 3.28Å; S557-E559 PolarHBondContact O-N 3.02Å; S557-E559 PolarHBondContact OG-N 2.98Å; S557-E559 PolarHBondContact OG-OE2 3.28Å; S557-A560 PolarHBondContact O-N 3.31Å; S557-A560 PolarHBondContact OG-N 2.97Å; S557-A560 VanDerWaalsContact OG-N 3.14Å; S557-L561 WeakPolarHBondContact O-CB 3.38Å; S557-L561 WeakPolarHBondContact O-CG 3.3Å; S557-L561 PolarHBondContact O-N 3.01Å | ||
| 558 | Q | 73 | Confident | 79.5 | Confident | 117 Ų | 117 | 53.3 Ų | 53.3 | 55% | 0.547 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63 | -36.4 | -179.4 | -170.4 | 174.7 | 5 | 0 | 0 | 111.8 | Y562 | Q558-Y562 VanDerWaalsContact O-CB 3.26Å; Q558-Y562 WeakPolarHBondContact O-CB 3.37Å; Q558-Y562 PolarHBondContact O-N 3.25Å |
| 559 | E | 78.8 | Confident | 79.5 | Confident | 124 Ų | 124 | 53.3 Ų | 53.3 | 58% | 0.579 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -71.7 | -36 | 176.4 | -53.4 | 83.4 | 173.9 | 0 | 0 | 112.5 | S557 S563 | S557-E559 VanDerWaalsContact C-N 3.28Å; S557-E559 PolarHBondContact O-N 3.02Å; S557-E559 PolarHBondContact OG-N 2.98Å; S557-E559 PolarHBondContact OG-OE2 3.28Å; E559-S563 WeakPolarHBondContact O-CB 3.45Å; E559-S563 PolarHBondContact O-N 2.79Å; E559-S563 PolarHBondContact O-OG 3.19Å |
| 560 | A | 79.8 | Confident | 79.4 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 35% | 0.347 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.9 | -46.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S555 S557 S563 L564 | S555-A560 VanDerWaalsContact O-CB 3.27Å; S555-A560 WeakPolarHBondContact O-CB 3.45Å; S557-A560 PolarHBondContact O-N 3.31Å; S557-A560 PolarHBondContact OG-N 2.97Å; S557-A560 VanDerWaalsContact OG-N 3.14Å; A560-S563 PolarHBondContact O-N 3.25Å; A560-L564 WeakPolarHBondContact O-CB 3.41Å; A560-L564 PolarHBondContact O-N 3.06Å |
| 561 | L | 82.3 | Confident | 79.5 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 173.3 | -73 | 173.2 | 0 | 0 | 0 | 111.9 | V551 S557 S563 L564 F565 I759 F781 | V551-L561 HydrophobicContact CG1-CD2 4.01Å; S557-L561 WeakPolarHBondContact O-CB 3.38Å; S557-L561 WeakPolarHBondContact O-CG 3.3Å; S557-L561 PolarHBondContact O-N 3.01Å; L561-S563 VanDerWaalsContact C-N 3.34Å; L561-S563 PolarHBondContact O-N 3.34Å; L561-L564 PolarHBondContact O-N 3.14Å; L561-F565 HydrophobicContact CB-CE2 4.31Å; L561-F565 HydrophobicContact CB-CZ 4.25Å; L561-F565 HydrophobicContact CD2-CE1 4.23Å; L561-F565 HydrophobicContact CD2-CZ 4.09Å; L561-F565 WeakPolarHBondContact O-CB 3.42Å; L561-F565 WeakPolarHBondContact O-CD1 3.49Å; L561-F565 WeakPolarHBondContact O-CD2 3.37Å; L561-F565 WeakPolarHBondContact O-CG 3.21Å; L561-F565 PolarHBondContact O-N 3.43Å; L561-I759 HydrophobicContact CB-CD1 4.03Å; L561-F781 HydrophobicContact CD1-CE1 4.04Å; L561-F781 HydrophobicContact CD1-CE2 3.72Å; L561-F781 HydrophobicContact CD1-CZ 3.33Å |
| 562 | Y | 85.2 | Confident | 79.8 | Confident | 47 Ų | 47 | 56.2 Ų | 56.2 | 18% | 0.184 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 174.8 | -178.8 | -92.8 | 0 | 0 | 0 | 112.3 | Q558 F565 L566 S755 L756 F757 | Q558-Y562 VanDerWaalsContact O-CB 3.26Å; Q558-Y562 WeakPolarHBondContact O-CB 3.37Å; Q558-Y562 PolarHBondContact O-N 3.25Å; Y562-F565 PolarHBondContact O-N 3.23Å; Y562-L566 HydrophobicContact CE1-CD2 4.13Å; Y562-L566 VanDerWaalsContact O-CB 3.24Å; Y562-L566 WeakPolarHBondContact O-CB 3.47Å; Y562-L566 PolarHBondContact O-N 2.93Å; Y562-S755 WeakPolarHBondContact CE2-OG 3.2Å; Y562-S755 PolarHBondContact OH-OG 2.72Å; Y562-L756 WeakPolarHBondContact OH-CB 3.34Å; Y562-L756 PolarHBondContact OH-N 3.18Å; Y562-L756 VanDerWaalsContact OH-N 3.08Å; Y562-F757 AromaticContact CD2-CD2 3.72Å; Y562-F757 HydrophobicContact CD2-CD2 3.72Å; Y562-F757 AromaticContact CD2-CE2 3.27Å; Y562-F757 HydrophobicContact CD2-CE2 3.27Å; Y562-F757 AromaticContact CD2-CZ 3.78Å; Y562-F757 HydrophobicContact CD2-CZ 3.78Å; Y562-F757 HydrophobicContact CE2-CD1 4.12Å; Y562-F757 AromaticContact CE2-CD2 3.52Å; Y562-F757 HydrophobicContact CE2-CD2 3.52Å; Y562-F757 AromaticContact CE2-CE1 3.96Å; Y562-F757 HydrophobicContact CE2-CE1 3.96Å; Y562-F757 AromaticContact CE2-CE2 3.35Å; Y562-F757 HydrophobicContact CE2-CE2 3.35Å; Y562-F757 AromaticContact CE2-CG 3.93Å; Y562-F757 HydrophobicContact CE2-CG 3.93Å; Y562-F757 AromaticContact CE2-CZ 3.57Å; Y562-F757 HydrophobicContact CE2-CZ 3.57Å; Y562-F757 HydrophobicContact CG-CE2 4.3Å |
| 563 | S | 83.9 | Confident | 80.2 | Confident | 72 Ų | 72 | 53.4 Ų | 53.4 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 177.3 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | E559 A560 L561 Q567 | E559-S563 WeakPolarHBondContact O-CB 3.45Å; E559-S563 PolarHBondContact O-N 2.79Å; E559-S563 PolarHBondContact O-OG 3.19Å; A560-S563 PolarHBondContact O-N 3.25Å; L561-S563 VanDerWaalsContact C-N 3.34Å; L561-S563 PolarHBondContact O-N 3.34Å; S563-Q567 WeakPolarHBondContact O-CB 3.41Å; S563-Q567 PolarHBondContact O-N 3.06Å |
| 564 | L | 85.9 | Confident | 80.8 | Confident | 62 Ų | 62 | 52 Ų | 52 | 33% | 0.325 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 176.9 | 179.2 | 64.9 | 0 | 0 | 0 | 111.9 | V551 A560 L561 Q567 R568 | V551-L564 HydrophobicContact CG2-CD2 4.07Å; A560-L564 WeakPolarHBondContact O-CB 3.41Å; A560-L564 PolarHBondContact O-N 3.06Å; L561-L564 PolarHBondContact O-N 3.14Å; L564-Q567 PolarHBondContact O-N 2.87Å; L564-R568 PolarHBondContact O-N 2.83Å |
| 565 | F | 88.4 | Confident | 81.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.8 | -44 | 177.9 | -62.8 | -12.3 | 0 | 0 | 0 | 111.3 | L518 L520 L549 L561 Y562 Q567 R568 L569 F757 I759 V787 I789 | L518-F565 HydrophobicContact CD2-CE1 4.03Å; L518-F565 HydrophobicContact CD2-CZ 3.71Å; L520-F565 HydrophobicContact CD1-CD1 4.4Å; L520-F565 HydrophobicContact CD1-CD2 4.02Å; L520-F565 HydrophobicContact CD1-CE1 4.06Å; L520-F565 HydrophobicContact CD1-CE2 3.63Å; L520-F565 HydrophobicContact CD1-CG 4.4Å; L520-F565 HydrophobicContact CD1-CZ 3.66Å; L520-F565 HydrophobicContact CD2-CD1 3.71Å; L520-F565 HydrophobicContact CD2-CD2 4.42Å; L520-F565 HydrophobicContact CD2-CE1 3.94Å; L520-F565 HydrophobicContact CD2-CG 3.99Å; L520-F565 HydrophobicContact CD2-CZ 4.39Å; L549-F565 HydrophobicContact CD1-CD1 3.81Å; L549-F565 HydrophobicContact CD1-CE1 3.82Å; L561-F565 HydrophobicContact CB-CE2 4.31Å; L561-F565 HydrophobicContact CB-CZ 4.25Å; L561-F565 HydrophobicContact CD2-CE1 4.23Å; L561-F565 HydrophobicContact CD2-CZ 4.09Å; L561-F565 WeakPolarHBondContact O-CB 3.42Å; L561-F565 WeakPolarHBondContact O-CD1 3.49Å; L561-F565 WeakPolarHBondContact O-CD2 3.37Å; L561-F565 WeakPolarHBondContact O-CG 3.21Å; L561-F565 PolarHBondContact O-N 3.43Å; Y562-F565 PolarHBondContact O-N 3.23Å; F565-Q567 VanDerWaalsContact C-N 3.27Å; F565-Q567 PolarHBondContact O-N 2.91Å; F565-R568 PolarHBondContact O-N 3.31Å; F565-L569 VanDerWaalsContact O-CG 3.3Å; F565-L569 WeakPolarHBondContact O-CG 3.31Å; F565-L569 PolarHBondContact O-N 3.08Å; F565-F757 HydrophobicContact CB-CE2 4.34Å; F565-F757 HydrophobicContact CB-CZ 4.14Å; F565-I759 HydrophobicContact CD2-CD1 3.65Å; F565-I759 HydrophobicContact CD2-CG1 4.02Å; F565-I759 HydrophobicContact CE2-CD1 3.67Å; F565-I759 HydrophobicContact CE2-CG1 4.02Å; F565-I759 HydrophobicContact CE2-CG2 4.07Å; F565-V787 HydrophobicContact CE2-CG1 3.92Å; F565-V787 HydrophobicContact CZ-CG1 4.14Å; F565-I789 HydrophobicContact CB-CD1 3.81Å; F565-I789 HydrophobicContact CD2-CD1 3.7Å; F565-I789 HydrophobicContact CD2-CG1 3.87Å; F565-I789 HydrophobicContact CE2-CG1 4.4Å; F565-I789 HydrophobicContact CG-CD1 3.95Å |
| 566 | L | 86.4 | Confident | 81.6 | Confident | 43 Ų | 43 | 51.8 Ų | 51.8 | 23% | 0.225 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 175.8 | -173.3 | 64.9 | 0 | 0 | 0 | 111.5 | Y562 A570 V573 L756 F757 | Y562-L566 HydrophobicContact CE1-CD2 4.13Å; Y562-L566 VanDerWaalsContact O-CB 3.24Å; Y562-L566 WeakPolarHBondContact O-CB 3.47Å; Y562-L566 PolarHBondContact O-N 2.93Å; L566-A570 PolarHBondContact O-N 2.87Å; L566-V573 HydrophobicContact CD1-CG1 3.66Å; L566-L756 HydrophobicContact CD1-CD1 3.84Å; L566-F757 HydrophobicContact CB-CZ 4.36Å; L566-F757 HydrophobicContact CD1-CE1 4.12Å |
| 567 | Q | 85.4 | Confident | 81.6 | Confident | 127 Ų | 127 | 53.3 Ų | 53.3 | 59% | 0.593 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.5 | -42.4 | 170.9 | -177.1 | 178.4 | -4.2 | 0 | 0 | 111.7 | P439 S563 L564 F565 L569 A570 | P439-Q567 WeakPolarHBondContact CB-O 3.42Å; S563-Q567 WeakPolarHBondContact O-CB 3.41Å; S563-Q567 PolarHBondContact O-N 3.06Å; L564-Q567 PolarHBondContact O-N 2.87Å; F565-Q567 VanDerWaalsContact C-N 3.27Å; F565-Q567 PolarHBondContact O-N 2.91Å; Q567-L569 VanDerWaalsContact C-N 3.35Å; Q567-L569 PolarHBondContact O-N 2.88Å; Q567-A570 VanDerWaalsContact O-CB 3.28Å; Q567-A570 WeakPolarHBondContact O-CB 3.37Å; Q567-A570 PolarHBondContact O-N 2.86Å |
| 568 | R | 86.6 | Confident | 80.7 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.1 | -33.2 | 179.7 | -165.3 | 64 | 167 | 130.5 | -4.5 | 113.3 | S436 L437 D438 L547 L549 L564 F565 | S436-R568 VanDerWaalsContact O-CZ 3.24Å; S436-R568 PolarHBondContact O-NH1 3.4Å; S436-R568 PolarHBondContact O-NH2 2.82Å; L437-R568 PolarHBondContact O-NH1 3.22Å; L437-R568 VanDerWaalsContact O-NH1 3.11Å; D438-R568 PolarHBondContact O-NH1 3.21Å; L547-R568 HydrophobicContact CD1-CG 3.94Å; L549-R568 HydrophobicContact CD2-CG 4.05Å; L564-R568 PolarHBondContact O-N 2.83Å; F565-R568 PolarHBondContact O-N 3.31Å |
| 569 | L | 88.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -1.6 | 179.5 | -58 | 177.4 | 0 | 0 | 0 | 113.7 | L522 L547 F565 Q567 R571 Y572 V573 F757 I789 W791 | L522-L569 HydrophobicContact CD2-CD1 4.18Å; L522-L569 HydrophobicContact CD2-CD2 4.27Å; L547-L569 HydrophobicContact CD1-CD2 3.81Å; F565-L569 VanDerWaalsContact O-CG 3.3Å; F565-L569 WeakPolarHBondContact O-CG 3.31Å; F565-L569 PolarHBondContact O-N 3.08Å; Q567-L569 VanDerWaalsContact C-N 3.35Å; Q567-L569 PolarHBondContact O-N 2.88Å; L569-R571 PolarHBondContact O-N 3.02Å; L569-Y572 HydrophobicContact CB-CE2 4.37Å; L569-Y572 HydrophobicContact CD2-CE2 3.7Å; L569-Y572 VanDerWaalsContact CD2-OH 3.26Å; L569-Y572 WeakPolarHBondContact CD2-OH 3.41Å; L569-Y572 PolarHBondContact O-N 3.1Å; L569-V573 HydrophobicContact CB-CB 4.12Å; L569-V573 HydrophobicContact CB-CG2 3.65Å; L569-V573 HydrophobicContact CD1-CG2 4.24Å; L569-V573 PolarHBondContact O-N 3.11Å; L569-F757 HydrophobicContact CD1-CE1 4.28Å; L569-I789 HydrophobicContact CD1-CD1 3.91Å; L569-W791 HydrophobicContact CD1-CZ2 4.22Å |
| 570 | A | 87.1 | Confident | 78.7 | Confident | 40 Ų | 40 | 51.9 Ų | 51.9 | 33% | 0.331 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L566 Q567 Y572 | L566-A570 PolarHBondContact O-N 2.87Å; Q567-A570 VanDerWaalsContact O-CB 3.28Å; Q567-A570 WeakPolarHBondContact O-CB 3.37Å; Q567-A570 PolarHBondContact O-N 2.86Å; A570-Y572 VanDerWaalsContact C-N 3.28Å; A570-Y572 PolarHBondContact O-N 3.48Å |
| 571 | R | 87.2 | Confident | 77.2 | Confident | 37 Ų | 37 | 56.6 Ų | 56.6 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -28.2 | 173.6 | 177 | 173.3 | 76.7 | 81.1 | 1.1 | 114 | P439 H440 A441 L569 E804 A805 | P439-R571 WeakPolarHBondContact O-CB 3.49Å; H440-R571 VanDerWaalsContact O-CD 3.32Å; H440-R571 WeakPolarHBondContact O-CD 3.44Å; A441-R571 WeakPolarHBondContact O-CD 3.46Å; A441-R571 PolarHBondContact O-NE 2.88Å; L569-R571 PolarHBondContact O-N 3.02Å; R571-E804 HydrophobicContact CG-CG 4.31Å; R571-E804 PolarHBondContact NH1-O 3.32Å; R571-E804 IonicContact NH1-OE1 2.79Å; R571-E804 PolarHBondContact NH1-OE1 2.84Å; R571-A805 PolarHBondContact NH2-O 2.67Å |
| 572 | Y | 88.1 | Confident | 75.6 | Confident | 18 Ų | 18 | 58.5 Ų | 58.5 | 7% | 0.071 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.1 | 5.8 | -174.1 | 49.3 | -88.9 | 0 | 0 | 0 | 113.8 | L569 A570 Y800 N801 A805 | L569-Y572 HydrophobicContact CB-CE2 4.37Å; L569-Y572 HydrophobicContact CD2-CE2 3.7Å; L569-Y572 VanDerWaalsContact CD2-OH 3.26Å; L569-Y572 WeakPolarHBondContact CD2-OH 3.41Å; L569-Y572 PolarHBondContact O-N 3.1Å; A570-Y572 VanDerWaalsContact C-N 3.28Å; A570-Y572 PolarHBondContact O-N 3.48Å; Y572-Y800 HydrophobicContact CD2-CD2 4.14Å; Y572-Y800 HydrophobicContact CD2-CE1 4.33Å; Y572-Y800 AromaticContact CD2-CE2 3.48Å; Y572-Y800 HydrophobicContact CD2-CE2 3.48Å; Y572-Y800 VanDerWaalsContact CD2-CE2 3.48Å; Y572-Y800 AromaticContact CD2-CZ 3.56Å; Y572-Y800 AromaticContact CE2-CE2 3.53Å; Y572-Y800 HydrophobicContact CE2-CE2 3.53Å; Y572-Y800 AromaticContact CE2-CZ 3.67Å; Y572-Y800 WeakPolarHBondContact CE2-OH 3.41Å; Y572-Y800 CarbonylContact O-C 3.59Å; Y572-Y800 WeakPolarHBondContact O-CA 3.33Å; Y572-N801 PolarHBondContact O-N 3.35Å; Y572-A805 HydrophobicContact CD1-CB 4.11Å; Y572-A805 HydrophobicContact CD2-CB 3.48Å; Y572-A805 VanDerWaalsContact CD2-CB 3.48Å; Y572-A805 HydrophobicContact CE1-CB 4.46Å; Y572-A805 HydrophobicContact CE2-CB 3.85Å; Y572-A805 HydrophobicContact CG-CB 3.6Å |
| 573 | V | 86.9 | Confident | 73.6 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.024 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -114.9 | 117.2 | 168.8 | 173.2 | 0 | 0 | 0 | 0 | 110 | L566 L569 L756 W791 F799 Y800 | L566-V573 HydrophobicContact CD1-CG1 3.66Å; L569-V573 HydrophobicContact CB-CB 4.12Å; L569-V573 HydrophobicContact CB-CG2 3.65Å; L569-V573 HydrophobicContact CD1-CG2 4.24Å; L569-V573 PolarHBondContact O-N 3.11Å; V573-L756 HydrophobicContact CG1-CD1 3.71Å; V573-W791 HydrophobicContact CB-CH2 4.37Å; V573-W791 HydrophobicContact CG1-CH2 3.81Å; V573-W791 HydrophobicContact CG2-CH2 3.59Å; V573-W791 HydrophobicContact CG2-CZ2 3.66Å; V573-F799 CarbonylContact C-O 3.59Å; V573-F799 VanDerWaalsContact CA-O 3.31Å; V573-F799 WeakPolarHBondContact CA-O 3.32Å; V573-Y800 HydrophobicContact CG2-CD2 3.76Å; V573-Y800 HydrophobicContact CG2-CE2 4.35Å |
| 574 | R | 82 | Confident | 71.6 | Confident | 109 Ų | 109 | 62.8 Ų | 62.8 | 41% | 0.411 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 128.2 | 173.6 | -170.8 | -177.2 | 69 | 118.1 | -2.7 | 109.4 | E580 F799 | R574-E580 IonicContact CZ-OE1 2.83Å; R574-E580 VanDerWaalsContact CZ-OE1 3.3Å; R574-E580 IonicContact CZ-OE2 3.08Å; R574-E580 IonicContact NH1-OE1 3.25Å; R574-E580 PolarHBondContact NH1-OE1 2.83Å; R574-E580 IonicContact NH1-OE2 2.74Å; R574-E580 VanDerWaalsContact NH2-CD 3.25Å; R574-E580 IonicContact NH2-OE1 2.82Å; R574-E580 PolarHBondContact NH2-OE1 3.02Å; R574-E580 IonicContact NH2-OE2 2.76Å; R574-E580 PolarHBondContact NH2-OE2 2.63Å; R574-F799 HydrophobicContact CB-CD1 4.38Å; R574-F799 PolarHBondContact N-O 3.12Å; R574-F799 WeakPolarHBondContact O-CD1 3.29Å |
| 575 | P | 71.8 | Confident | 69.3 | Low | 89 Ų | 89 | 66.8 Ų | 66.8 | 58% | 0.578 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 142.9 | 168.9 | 28.9 | -34.1 | 0 | 0 | 0 | 110.2 | D577 | P575-D577 PolarHBondContact O-N 2.93Š|
| 576 | P | 66.6 | Low | 66.9 | Low | 35 Ų | 35 | 75.1 Ų | 75.1 | 23% | 0.227 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 135.6 | 178.9 | 27.8 | -33.5 | 0 | 0 | 0 | 110.5 | L582 L756 F799 | P576-L582 HydrophobicContact CB-CD1 3.94Å; P576-L582 HydrophobicContact CG-CD1 4.35Å; P576-L756 HydrophobicContact CB-CD2 4.45Å; P576-L756 HydrophobicContact CG-CD2 4.2Å; P576-F799 HydrophobicContact CB-CE1 4.03Å; P576-F799 HydrophobicContact CB-CZ 4.31Å |
| 577 | D | 64.9 | Low | 64.8 | Low | 73 Ų | 73 | 81.6 Ų | 81.6 | 39% | 0.39 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 135.1 | -179.4 | -166.9 | -56.4 | 0 | 0 | 0 | 109.4 | P575 A579 E580 | P575-D577 PolarHBondContact O-N 2.93Å; D577-A579 PolarHBondContact O-N 3.46Å; D577-A579 WeakPolarHBondContact OD1-CB 3.43Å; D577-A579 PolarHBondContact OD1-N 2.88Å; D577-E580 HydrophobicContact CB-CB 4.11Å; D577-E580 HydrophobicContact CB-CG 3.84Å; D577-E580 PolarHBondContact O-N 3.41Å |
| 578 | P | 57 | Low | 62.7 | Low | 101 Ų | 101 | 83.7 Ų | 83.7 | 66% | 0.656 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -11.6 | 174.8 | 25.7 | -35.6 | 0 | 0 | 0 | 115.1 | ||
| 579 | A | 53.6 | Low | 60.3 | Low | 87 Ų | 87 | 91.5 Ų | 91.5 | 72% | 0.719 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D577 E581 | D577-A579 PolarHBondContact O-N 3.46Å; D577-A579 WeakPolarHBondContact OD1-CB 3.43Å; D577-A579 PolarHBondContact OD1-N 2.88Å; A579-E581 PolarHBondContact O-N 2.83Å |
| 580 | E | 55.7 | Low | 57.7 | Low | 75 Ų | 75 | 100.9 Ų | 100.9 | 35% | 0.35 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -81.2 | 96.6 | 164.6 | -75.1 | 165.2 | -164.2 | 0 | 0 | 107.8 | R574 D577 L582 | R574-E580 IonicContact CZ-OE1 2.83Å; R574-E580 VanDerWaalsContact CZ-OE1 3.3Å; R574-E580 IonicContact CZ-OE2 3.08Å; R574-E580 IonicContact NH1-OE1 3.25Å; R574-E580 PolarHBondContact NH1-OE1 2.83Å; R574-E580 IonicContact NH1-OE2 2.74Å; R574-E580 VanDerWaalsContact NH2-CD 3.25Å; R574-E580 IonicContact NH2-OE1 2.82Å; R574-E580 PolarHBondContact NH2-OE1 3.02Å; R574-E580 IonicContact NH2-OE2 2.76Å; R574-E580 PolarHBondContact NH2-OE2 2.63Å; D577-E580 HydrophobicContact CB-CB 4.11Å; D577-E580 HydrophobicContact CB-CG 3.84Å; D577-E580 PolarHBondContact O-N 3.41Å; E580-L582 PolarHBondContact O-N 2.8Å |
| 581 | E | 47.6 | Very low | 55.4 | Low | 142 Ų | 142 | 107.7 Ų | 107.7 | 66% | 0.664 | 54% | 0.535 | S | S | * | . | trans | -67.3 | 97.8 | 169.2 | -74.4 | -161.6 | 89.7 | 0 | 0 | 109.1 | A579 E583 K751 | A579-E581 PolarHBondContact O-N 2.83Å; E581-E583 HydrophobicContact CB-CG 3.92Å; E581-E583 PolarHBondContact O-N 2.82Å; E581-K751 IonicContact OE1-NZ 3.75Å; E581-K751 PolarHBondContact OE1-NZ 3.39Å | ||
| 582 | L | 50.1 | Low | 52.7 | Low | 43 Ų | 43 | 112.2 Ų | 112.2 | 23% | 0.225 | 56% | 0.562 | C | S | . | * | trans | -66.6 | 80.6 | 159.8 | -69.6 | 174.9 | 0 | 0 | 0 | 107.9 | P576 E580 R754 M795 F799 | P576-L582 HydrophobicContact CB-CD1 3.94Å; P576-L582 HydrophobicContact CG-CD1 4.35Å; E580-L582 PolarHBondContact O-N 2.8Å; L582-R754 HydrophobicContact CB-CB 4.08Å; L582-R754 HydrophobicContact CD1-CB 4.43Å; L582-M795 HydrophobicContact CD1-CE 4.14Å; L582-M795 HydrophobicContact CD2-CE 4.11Å; L582-M795 HydrophobicContact CD2-SD 4.47Å; L582-F799 HydrophobicContact CD2-CE2 4.45Å; L582-F799 HydrophobicContact CD2-CZ 4.38Å | ||
| 583 | E | 42.1 | Very low | 50.2 | Low | 106 Ų | 106 | 120.4 Ų | 120.4 | 50% | 0.495 | 60% | 0.6 | S | S | . | * | trans | -65.7 | 142.3 | 177.4 | -57.9 | -142.6 | 95 | 0 | 0 | 110.5 | E581 E585 K751 R754 | E581-E583 HydrophobicContact CB-CG 3.92Å; E581-E583 PolarHBondContact O-N 2.82Å; E583-E585 PolarHBondContact O-N 3.07Å; E583-E585 VanDerWaalsContact O-N 3.14Å; E583-K751 IonicContact OE1-NZ 3.61Å; E583-K751 PolarHBondContact OE1-NZ 2.87Å; E583-R754 PolarHBondContact O-NH1 3.26Å; E583-R754 VanDerWaalsContact O-NH1 3.08Å | ||
| 584 | E | 42.5 | Very low | 47.8 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 49% | 0.486 | 64% | 0.639 | S | S | . | * | trans | -77 | 87.9 | 162.5 | -69.6 | 168.5 | 147.2 | 0 | 0 | 104.7 | E586 | E584-E586 PolarHBondContact O-N 2.72Š| ||
| 585 | E | 37.4 | Very low | 45.8 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 68% | 0.678 | 65% | 0.647 | S | S | * | * | trans | -59 | 115.4 | 158.7 | -71.6 | 155.8 | 151.6 | 0 | 0 | 106 | E583 E587 R754 | E583-E585 PolarHBondContact O-N 3.07Å; E583-E585 VanDerWaalsContact O-N 3.14Å; E585-E587 PolarHBondContact O-N 2.8Å; E585-R754 IonicContact OE2-NH1 3.84Å; E585-R754 PolarHBondContact OE2-NH1 2.96Å; E585-R754 VanDerWaalsContact OE2-NH1 3.16Å | ||
| 586 | E | 37.1 | Very low | 44 | Very low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.822 | 65% | 0.651 | S | S | * | * | trans | -71.9 | 118 | 174.5 | -66.5 | 178 | 138.5 | 0 | 0 | 106.7 | E584 E588 | E584-E586 PolarHBondContact O-N 2.72Å; E586-E588 PolarHBondContact O-N 2.65Å | ||
| 587 | E | 42.8 | Very low | 42.5 | Very low | 178 Ų | 178 | 137.7 Ų | 137.7 | 83% | 0.832 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -76.2 | 55.2 | 176.2 | -73 | 176.4 | -166.9 | 0 | 0 | 110.6 | E585 | E585-E587 PolarHBondContact O-N 2.8Š|
| 588 | E | 41.8 | Very low | 41.2 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | trans | -135.2 | 147.9 | 169.2 | -64.2 | -173.3 | -178.9 | 0 | 0 | 107.4 | E586 | E586-E588 PolarHBondContact O-N 2.65Š| ||
| 589 | E | 36.7 | Very low | 40.3 | Very low | 188 Ų | 188 | 144.8 Ų | 144.8 | 88% | 0.879 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 78.2 | 38.2 | -173.8 | -52.7 | -171.1 | -176.2 | 0 | 0 | 118.5 | ||
| 590 | E | 33.3 | Very low | 39.3 | Very low | 197 Ų | 197 | 147.2 Ų | 147.2 | 92% | 0.921 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -122.9 | 13.5 | 154.6 | -108 | -166.6 | -152.5 | 0 | 0 | 114.6 | ||
| 591 | E | 37.5 | Very low | 38.2 | Very low | 184 Ų | 184 | 152.3 Ų | 152.3 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -98 | -12.5 | 175.1 | -67.9 | -165.2 | 143.8 | 0 | 0 | 114.8 | ||
| 592 | D | 32.2 | Very low | 37.6 | Very low | 132 Ų | 132 | 151.6 Ų | 151.6 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -96.1 | -14.7 | -170.8 | -86.9 | -29.9 | 0 | 0 | 0 | 115.9 | ||
| 593 | E | 34.4 | Very low | 36.7 | Very low | 190 Ų | 190 | 157.3 Ų | 157.3 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -82.2 | -17.5 | -175.4 | -71.5 | -145.7 | 146.3 | 0 | 0 | 115.4 | ||
| 594 | E | 37.4 | Very low | 36.1 | Very low | 178 Ų | 178 | 155.3 Ų | 155.3 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -83.5 | -21.4 | 174.9 | -68.6 | -151.7 | 138.9 | 0 | 0 | 113.8 | ||
| 595 | E | 38.8 | Very low | 35.6 | Very low | 125 Ų | 125 | 157.8 Ų | 157.8 | 58% | 0.584 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -73.5 | -26.2 | -174.5 | -99.7 | -94.4 | 153.4 | 0 | 0 | 114.5 | K599 | E595-K599 PolarHBondContact O-NZ 2.84Å; E595-K599 IonicContact OE2-NZ 3.67Å; E595-K599 PolarHBondContact OE2-NZ 3.31Å |
| 596 | E | 34 | Very low | 35.1 | Very low | 142 Ų | 142 | 155.6 Ų | 155.6 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -93.5 | -11.7 | -175 | -88.7 | -69.5 | 106.3 | 0 | 0 | 114.7 | Y598 K599 | E596-Y598 PolarHBondContact O-N 3.11Å; E596-K599 IonicContact OE1-NZ 3.19Å |
| 597 | L | 35 | Very low | 34.6 | Very low | 155 Ų | 155 | 153.1 Ų | 153.1 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -12.3 | 178 | -156.1 | 68.2 | 0 | 0 | 0 | 113.4 | ||
| 598 | Y | 39 | Very low | 33.9 | Very low | 213 Ų | 213 | 151.5 Ų | 151.5 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 16.3 | -175.2 | -89.2 | -83.8 | 0 | 0 | 0 | 115.7 | E596 | E596-Y598 PolarHBondContact O-N 3.11Š|
| 599 | K | 36.7 | Very low | 33.3 | Very low | 110 Ų | 110 | 150.3 Ų | 150.3 | 48% | 0.478 | 77% | 0.765 | S | S | . | * | S | Bend | trans | -119.4 | 44.9 | -179.5 | -59.6 | -170 | -168.1 | 85.4 | 0 | 115.9 | E595 E596 | E595-K599 PolarHBondContact O-NZ 2.84Å; E595-K599 IonicContact OE2-NZ 3.67Å; E595-K599 PolarHBondContact OE2-NZ 3.31Å; E596-K599 IonicContact OE1-NZ 3.19Å |
| 600 | T | 32.2 | Very low | 33 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | trans | -166.7 | 79.3 | 148.2 | 13.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 601 | Q | 33.7 | Very low | 32.6 | Very low | 182 Ų | 182 | 146 Ų | 146 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -151.5 | 90.9 | 145.6 | -132.3 | 150.7 | 110 | 0 | 0 | 115.1 | ||
| 602 | T | 34 | Very low | 32 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | 56.4 | 110.3 | 147.7 | 55.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 603 | N | 31.1 | Very low | 31.8 | Very low | 162 Ų | 162 | 139 Ų | 139 | 87% | 0.866 | 74% | 0.736 | S | S | * | * | trans | -14.5 | 142.2 | 139.7 | -42.5 | -11.6 | 0 | 0 | 0 | 115.3 | ||||
| 604 | G | 30.6 | Very low | 31.6 | Very low | 64 Ų | 64 | 139 Ų | 139 | 66% | 0.66 | 74% | 0.735 | S | S | * | * | cis | 136.9 | 158 | 2.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 605 | I | 30.7 | Very low | 31 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 81% | 0.805 | 73% | 0.732 | S | S | * | * | trans | 72.4 | 140.4 | 162.3 | -53.6 | 150.6 | 0 | 0 | 0 | 115.2 | ||||
| 606 | S | 27.2 | Very low | 30.5 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | cis | -118.4 | 141.5 | -1.9 | 51.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 607 | D | 27.6 | Very low | 30.2 | Very low | 123 Ų | 123 | 132 Ų | 132 | 66% | 0.658 | 75% | 0.749 | S | S | * | * | cis | 77.3 | 153.2 | 49.9 | -59.7 | -49.3 | 0 | 0 | 0 | 114.2 | ||||
| 608 | D | 28.8 | Very low | 30.3 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | 73.2 | 126.5 | 172.7 | -58.9 | -18.8 | 0 | 0 | 0 | 118.9 | ||||
| 609 | E | 28.3 | Very low | 29.7 | Very low | 146 Ų | 146 | 124.7 Ų | 124.7 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | cis | -167 | 173.7 | -14.8 | -143.6 | -169.6 | -173.6 | 0 | 0 | 110.2 | ||||
| 610 | Q | 29.7 | Very low | 29.3 | Very low | 153 Ų | 153 | 128.3 Ų | 128.3 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | trans | 69.6 | 143.6 | 158.4 | -66.3 | 165 | 47.4 | 0 | 0 | 117 | ||||
| 611 | N | 26 | Very low | 29.8 | Very low | 140 Ų | 140 | 127 Ų | 127 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | cis | -153.3 | -173.8 | -4.3 | -142.8 | -36.5 | 0 | 0 | 0 | 110.8 | ||||
| 612 | A | 25.4 | Very low | 29.5 | Very low | 67 Ų | 67 | 126.8 Ų | 126.8 | 55% | 0.554 | 75% | 0.751 | S | S | * | * | trans | 20.6 | 111.2 | 148.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 613 | S | 28.1 | Very low | 30.2 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | 60.5 | 63.4 | 73.6 | 84.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 614 | E | 29.1 | Very low | 29.9 | Very low | 188 Ų | 188 | 122.9 Ų | 122.9 | 88% | 0.879 | 74% | 0.737 | S | S | * | * | trans | -117.1 | 108.7 | 145.4 | -65.4 | -172.1 | 146.5 | 0 | 0 | 105.3 | ||||
| 615 | T | 25.9 | Very low | 29.7 | Very low | 123 Ų | 123 | 125 Ų | 125 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | 51.1 | 113 | 51 | 62.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 616 | A | 26.5 | Very low | 29.6 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | trans | 83.4 | 55 | 142.4 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 617 | G | 28.4 | Very low | 29.4 | Very low | 79 Ų | 79 | 126.4 Ų | 126.4 | 81% | 0.814 | 75% | 0.751 | S | S | * | * | trans | 58 | -139.7 | 142.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 618 | P | 38.1 | Very low | 30 | Very low | 126 Ų | 126 | 124.5 Ų | 124.5 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | cis | -108.4 | -139.6 | -11.8 | 35.5 | -16.8 | 0 | 0 | 0 | 109.5 | ||||
| 619 | S | 26.1 | Very low | 30 | Very low | 89 Ų | 89 | 123.3 Ų | 123.3 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | cis | -165.4 | 149.6 | -0.7 | 36.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 620 | E | 27.6 | Very low | 31 | Very low | 186 Ų | 186 | 121.2 Ų | 121.2 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | trans | 70.6 | 170.9 | 143.6 | -75.7 | -175.5 | 172.7 | 0 | 0 | 120.1 | ||||
| 621 | P | 42.6 | Very low | 31 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | -108.2 | 173.9 | -155.4 | 41.5 | -35.8 | 0 | 0 | 0 | 116.4 | ||||
| 622 | E | 28.8 | Very low | 31.1 | Very low | 179 Ų | 179 | 118.4 Ų | 118.4 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | 64.7 | 163.6 | 177.1 | -63.3 | -72.4 | 149.8 | 0 | 0 | 114.7 | ||||
| 623 | P | 48.6 | Very low | 32.4 | Very low | 97 Ų | 97 | 120.9 Ų | 120.9 | 63% | 0.63 | 77% | 0.773 | S | S | * | * | cis | -131 | -174.9 | -34.5 | 37.6 | -21.7 | 0 | 0 | 0 | 113.6 | ||||
| 624 | C | 24.3 | Very low | 32.5 | Very low | 110 Ų | 110 | 121.4 Ų | 121.4 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | 69.6 | 116.9 | 148.3 | -75.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 625 | C | 25.8 | Very low | 32.6 | Very low | 110 Ų | 110 | 120.3 Ų | 120.3 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | 75.7 | 111.1 | 121.9 | -65 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 626 | S | 29 | Very low | 32.9 | Very low | 109 Ų | 109 | 118 Ų | 118 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | 49.7 | 126.3 | 127 | 66.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 627 | N | 23.5 | Very low | 34.1 | Very low | 175 Ų | 175 | 118.8 Ų | 118.8 | 94% | 0.936 | 77% | 0.769 | S | S | * | * | trans | -94.1 | 124.7 | 161.5 | -123.8 | -26.1 | 0 | 0 | 0 | 110.8 | ||||
| 628 | A | 39.3 | Very low | 34.5 | Very low | 84 Ų | 84 | 121.4 Ų | 121.4 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | trans | -149.2 | 146.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 629 | S | 29.4 | Very low | 35.1 | Very low | 119 Ų | 119 | 120 Ų | 120 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | -171.3 | 161.6 | 177.9 | -91.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 630 | P | 49.8 | Very low | 35.2 | Very low | 102 Ų | 102 | 122.9 Ų | 122.9 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | cis | -131.2 | 172.6 | 15.7 | 40.8 | -25.7 | 0 | 0 | 0 | 117.3 | ||||
| 631 | N | 29.9 | Very low | 36.3 | Very low | 161 Ų | 161 | 119.7 Ų | 119.7 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | 123.3 | 131.8 | 151.1 | -61 | -36.3 | 0 | 0 | 0 | 115.8 | ||||
| 632 | G | 27.2 | Very low | 35.9 | Very low | 74 Ų | 74 | 121.8 Ų | 121.8 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | trans | -108.4 | -145.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 633 | P | 52.3 | Low | 36.9 | Very low | 119 Ų | 119 | 119.1 Ų | 119.1 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | cis | -141.4 | -156.4 | 12.5 | 35.5 | -10.3 | 0 | 0 | 0 | 116 | ||||
| 634 | T | 30.4 | Very low | 36.3 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 88.8 | 104.1 | 161.6 | 60.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 635 | D | 31.2 | Very low | 37.6 | Very low | 164 Ų | 164 | 121.8 Ų | 121.8 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | 51.9 | 129.9 | 120.7 | -46.8 | -23.4 | 0 | 0 | 0 | 124.9 | |||||
| 636 | G | 32 | Very low | 37.9 | Very low | 75 Ų | 75 | 120.5 Ų | 120.5 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | 151.1 | 124.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 637 | P | 52.9 | Low | 38 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | trans | -137.7 | 171.2 | -163.3 | 46.7 | -32.2 | 0 | 0 | 0 | 120.3 | ||||
| 638 | T | 35 | Very low | 38.4 | Very low | 134 Ų | 134 | 118.6 Ų | 118.6 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | 81.2 | 170 | 156.4 | 80.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 639 | P | 51.8 | Low | 38.1 | Very low | 97 Ų | 97 | 118 Ų | 118 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | -142.5 | -175.1 | -96.9 | 43 | -21.2 | 0 | 0 | 0 | 118.2 | |||||
| 640 | D | 27.7 | Very low | 38.9 | Very low | 148 Ų | 148 | 118.8 Ų | 118.8 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 63.4 | 160.3 | 153.7 | -62.7 | -17.5 | 0 | 0 | 0 | 121.3 | ||||
| 641 | P | 50.2 | Low | 38.1 | Very low | 119 Ų | 119 | 121 Ų | 121 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | cis | -136.6 | -171 | -32.5 | 38.2 | -19 | 0 | 0 | 0 | 115.1 | ||||
| 642 | D | 36.1 | Very low | 38.3 | Very low | 153 Ų | 153 | 117.6 Ų | 117.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -50.9 | 169.4 | 168.7 | -76 | -52.6 | 0 | 0 | 0 | 116.7 | ||||
| 643 | P | 49.6 | Very low | 38.4 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | cis | -149.1 | -174.3 | 29 | 44.3 | -22.6 | 0 | 0 | 0 | 120.3 | ||||
| 644 | D | 36 | Very low | 37.6 | Very low | 148 Ų | 148 | 120.5 Ų | 120.5 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -48.9 | 170.4 | 162.3 | -113.4 | -28.1 | 0 | 0 | 0 | 115.6 | ||||
| 645 | P | 49.8 | Very low | 37.5 | Very low | 114 Ų | 114 | 118.5 Ų | 118.5 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | cis | -152.4 | 178.4 | 31.4 | 45.7 | -24.6 | 0 | 0 | 0 | 120.9 | ||||
| 646 | A | 32.7 | Very low | 37.5 | Very low | 84 Ų | 84 | 118.5 Ų | 118.5 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | trans | 74.3 | 123.1 | 136.1 | 0 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 647 | S | 31.4 | Very low | 38.4 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 67.9 | 134 | 131.4 | 79.8 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 648 | S | 32.8 | Very low | 37.5 | Very low | 130 Ų | 130 | 120.7 Ų | 120.7 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | 164.7 | 161.7 | 120.5 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 649 | G | 32.1 | Very low | 38 | Very low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | -170.1 | 150.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 650 | P | 46.8 | Very low | 37 | Very low | 135 Ų | 135 | 119.1 Ų | 119.1 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -105.9 | 172 | -172.8 | 39.9 | -35.1 | 0 | 0 | 0 | 115.8 | ||||
| 651 | V | 32.8 | Very low | 37.1 | Very low | 150 Ų | 150 | 118.8 Ų | 118.8 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -141.5 | 134.7 | -175.1 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 652 | A | 32.5 | Very low | 36 | Very low | 88 Ų | 88 | 120 Ų | 120 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -176.8 | 152.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 653 | T | 30.3 | Very low | 35.7 | Very low | 144 Ų | 144 | 122.3 Ų | 122.3 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | cis | -161.2 | 161.9 | -14.2 | 18.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 654 | A | 35.6 | Very low | 34.5 | Very low | 110 Ų | 110 | 120 Ų | 120 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -99.5 | 165.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 655 | G | 28.9 | Very low | 34 | Very low | 73 Ų | 73 | 121.6 Ų | 121.6 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | trans | -159.8 | 154.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 656 | D | 30.4 | Very low | 32.9 | Very low | 165 Ų | 165 | 121 Ų | 121 | 88% | 0.882 | 82% | 0.824 | S | S | * | * | trans | -88.6 | 160.8 | -162.3 | -74.9 | -66.8 | 0 | 0 | 0 | 117.1 | ||||
| 657 | P | 50.8 | Low | 32.6 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 75% | 0.747 | 83% | 0.828 | S | S | * | * | trans | -98.8 | 155.4 | 179.4 | 38.4 | -35.3 | 0 | 0 | 0 | 115.1 | ||||
| 658 | P | 35.1 | Very low | 32.3 | Very low | 119 Ų | 119 | 124 Ų | 124 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | trans | -118.7 | 175.8 | 166.3 | 45.4 | -34.4 | 0 | 0 | 0 | 111.4 | ||||
| 659 | P | 44.7 | Very low | 32 | Very low | 121 Ų | 121 | 124 Ų | 124 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | -128.5 | 162.9 | -99.5 | 30.9 | -9.7 | 0 | 0 | 0 | 115.5 | |||||
| 660 | G | 30.6 | Very low | 31.7 | Very low | 78 Ų | 78 | 128.5 Ų | 128.5 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -93.1 | 141.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 661 | V | 30.1 | Very low | 30.8 | Very low | 140 Ų | 140 | 125.3 Ų | 125.3 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -135.2 | 127.6 | 168.7 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 662 | N | 27.4 | Very low | 30.5 | Very low | 146 Ų | 146 | 124.5 Ų | 124.5 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | trans | -81.3 | 142.8 | 175.1 | -77.6 | -68.1 | 0 | 0 | 0 | 112.2 | ||||
| 663 | Q | 28.8 | Very low | 30.1 | Very low | 200 Ų | 200 | 126.6 Ų | 126.6 | 94% | 0.935 | 81% | 0.805 | S | S | * | * | 175 | 154.4 | 120.4 | -98.4 | 161.4 | 84.4 | 0 | 0 | 113.3 | |||||
| 664 | G | 25.5 | Very low | 29.9 | Very low | 76 Ų | 76 | 129 Ų | 129 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | 115.5 | 83.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 665 | L | 26 | Very low | 29.5 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 95% | 0.948 | 80% | 0.803 | S | S | * | * | trans | -72.4 | 127.6 | 163.4 | -81.1 | 142.3 | 0 | 0 | 0 | 110.7 | ||||
| 666 | A | 26.2 | Very low | 29.3 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -148.9 | 105.5 | 154.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 667 | S | 25.2 | Very low | 29.1 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -77.8 | 140 | 178.5 | 51.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 668 | L | 26.1 | Very low | 27.8 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | -173.9 | 118.8 | 124.7 | -98.6 | 160.4 | 0 | 0 | 0 | 110 | |||||
| 669 | D | 25.5 | Very low | 27.4 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 68% | 0.684 | 81% | 0.808 | S | S | * | * | trans | 29.4 | 121.7 | 144.2 | -65 | 6.8 | 0 | 0 | 0 | 118.8 | ||||
| 670 | Q | 26.5 | Very low | 26.5 | Very low | 167 Ų | 167 | 130.1 Ų | 130.1 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | 56.8 | 134.6 | 66.1 | -61.1 | -166.1 | -57.7 | 0 | 0 | 113.1 | |||||
| 671 | G | 27.9 | Very low | 26.3 | Very low | 68 Ų | 68 | 133.6 Ų | 133.6 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | cis | 174.4 | -172.2 | 2.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 672 | D | 27.1 | Very low | 26.4 | Very low | 133 Ų | 133 | 133 Ų | 133 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | cis | -158.9 | 171 | -16 | -116.5 | -49.7 | 0 | 0 | 0 | 107.9 | ||||
| 673 | T | 24.7 | Very low | 26.3 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -115.5 | 118.9 | 174.9 | -50.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 674 | E | 25.7 | Very low | 26.4 | Very low | 195 Ų | 195 | 126.5 Ų | 126.5 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -79.7 | 128.4 | 177 | -69 | -164.4 | 141.5 | 0 | 0 | 112.1 | ||||
| 675 | V | 26.4 | Very low | 26.4 | Very low | 137 Ų | 137 | 126.3 Ų | 126.3 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | -141.9 | 122.8 | 155.9 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 676 | G | 25.3 | Very low | 26.5 | Very low | 79 Ų | 79 | 125.1 Ų | 125.1 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | trans | 66.4 | 116.6 | 145.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 677 | N | 25.8 | Very low | 27 | Very low | 163 Ų | 163 | 126 Ų | 126 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -123.7 | 115.2 | 163.7 | -161.4 | -0.2 | 0 | 0 | 0 | 110.3 | ||||
| 678 | G | 23.5 | Very low | 27.1 | Very low | 76 Ų | 76 | 128.5 Ų | 128.5 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | -109.3 | 130.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 679 | S | 27.6 | Very low | 27.1 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -122.9 | 138.7 | -171.4 | -169.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 680 | L | 24.5 | Very low | 27.2 | Very low | 159 Ų | 159 | 127.3 Ų | 127.3 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -131.8 | 151.8 | 171 | -86.2 | 172.3 | 0 | 0 | 0 | 110.3 | ||||
| 681 | N | 26 | Very low | 27.1 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | trans | -50.7 | 151.6 | -170.5 | -48.3 | -29.5 | 0 | 0 | 0 | 115.9 | ||||
| 682 | P | 33.5 | Very low | 27.1 | Very low | 128 Ų | 128 | 126 Ų | 126 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | trans | -107.2 | 162.6 | 136.5 | 36.2 | -30.4 | 0 | 0 | 0 | 111.6 | ||||
| 683 | A | 25.2 | Very low | 27 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | trans | -147.3 | 166.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 684 | A | 29.8 | Very low | 27 | Very low | 111 Ų | 111 | 121 Ų | 121 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | trans | 74.2 | 135.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 685 | G | 25.1 | Very low | 26.9 | Very low | 73 Ų | 73 | 119 Ų | 119 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | 150.9 | 60.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 686 | N | 28.1 | Very low | 27 | Very low | 156 Ų | 156 | 120 Ų | 120 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | trans | -68.3 | 160.3 | 168.8 | -76.9 | 6.4 | 0 | 0 | 0 | 111.7 | ||||
| 687 | P | 36.8 | Very low | 27.1 | Very low | 118 Ų | 118 | 119.7 Ų | 119.7 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | -126.8 | 175.7 | 108.4 | 38.1 | -33.9 | 0 | 0 | 0 | 113.7 | |||||
| 688 | D | 27.6 | Very low | 27.2 | Very low | 162 Ų | 162 | 116 Ų | 116 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | -71.8 | 161.8 | -167.8 | -49.9 | -87.5 | 0 | 0 | 0 | 115.5 | ||||
| 689 | G | 26.8 | Very low | 27.4 | Very low | 71 Ų | 71 | 120.5 Ų | 120.5 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | -123.4 | 179.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 690 | L | 26.9 | Very low | 27.5 | Very low | 186 Ų | 186 | 118.3 Ų | 118.3 | 97% | 0.974 | 81% | 0.812 | S | S | * | * | trans | -160.9 | 178.3 | 164.7 | -111.4 | 168.9 | 0 | 0 | 0 | 110.7 | ||||
| 691 | S | 25.8 | Very low | 27.9 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | -109.3 | 161.9 | -156.2 | -165.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 692 | A | 26.9 | Very low | 28.3 | Very low | 100 Ų | 100 | 117.5 Ų | 117.5 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | 74.5 | 139.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 693 | G | 24.2 | Very low | 28.3 | Very low | 80 Ų | 80 | 118.1 Ų | 118.1 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | 136.5 | 116.3 | 142 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 694 | G | 25.8 | Very low | 28.3 | Very low | 79 Ų | 79 | 116.7 Ų | 116.7 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | 81.2 | 130.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 695 | D | 24.3 | Very low | 28.4 | Very low | 151 Ų | 151 | 118 Ų | 118 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | cis | 90.6 | 144.3 | 17.4 | -159.5 | 29.2 | 0 | 0 | 0 | 117.3 | ||||
| 696 | L | 27.6 | Very low | 28.7 | Very low | 158 Ų | 158 | 118.9 Ų | 118.9 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | 71.1 | 133.7 | 179.2 | -47 | 178.3 | 0 | 0 | 0 | 116.9 | ||||
| 697 | G | 26.4 | Very low | 28.8 | Very low | 73 Ų | 73 | 120.1 Ų | 120.1 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | cis | 168 | -167.1 | -5.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 698 | A | 29.8 | Very low | 29.7 | Very low | 86 Ų | 86 | 119.8 Ų | 119.8 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | 88.6 | 101.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 699 | D | 27 | Very low | 31.2 | Very low | 170 Ų | 170 | 117.5 Ų | 117.5 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | 85.1 | 141 | 116.7 | -53.1 | -17.7 | 0 | 0 | 0 | 125.7 | |||||
| 700 | G | 28.9 | Very low | 31.3 | Very low | 68 Ų | 68 | 118.3 Ų | 118.3 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 125.7 | 77.1 | 170 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 701 | E | 33.6 | Very low | 31.5 | Very low | 198 Ų | 198 | 118.6 Ų | 118.6 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | 62.6 | 138.7 | 81 | -68.5 | -158.1 | 140 | 0 | 0 | 116.2 | |||||
| 702 | A | 34.8 | Very low | 31.8 | Very low | 95 Ų | 95 | 117.7 Ų | 117.7 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | cis | -161.6 | -172.2 | -11.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 703 | D | 32.6 | Very low | 31.8 | Very low | 141 Ų | 141 | 117.4 Ų | 117.4 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | cis | -154.6 | 172.7 | 4.1 | 166.9 | 47.2 | 0 | 0 | 0 | 107.5 | N705 | D703-N705 PolarHBondContact OD1-ND2 3.17Å; D703-N705 PolarHBondContact OD2-ND2 3.19Å | ||
| 704 | G | 26.5 | Very low | 31.9 | Very low | 67 Ų | 67 | 122.2 Ų | 122.2 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | 165.9 | 55.8 | 163 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 705 | N | 30.6 | Very low | 33 | Very low | 138 Ų | 138 | 123.6 Ų | 123.6 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -3.5 | 149.1 | 155.1 | -68 | -74.7 | 0 | 0 | 0 | 121.1 | D703 | D703-N705 PolarHBondContact OD1-ND2 3.17Å; D703-N705 PolarHBondContact OD2-ND2 3.19Å | ||
| 706 | A | 31.6 | Very low | 34 | Very low | 91 Ų | 91 | 122.1 Ų | 122.1 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | cis | -171.4 | -179.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 707 | E | 31.1 | Very low | 33.9 | Very low | 182 Ų | 182 | 124.1 Ų | 124.1 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -86.1 | -151.5 | -171.3 | -35 | 171.5 | 96.4 | 0 | 0 | 115.1 | ||||
| 708 | P | 54.2 | Low | 34 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -144.3 | -161.8 | 21.5 | 40.4 | -14.9 | 0 | 0 | 0 | 116.8 | ||||
| 709 | P | 59.1 | Low | 33.7 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | -140.7 | -171.1 | -53.7 | 40.7 | -23.3 | 0 | 0 | 0 | 116.8 | |||||
| 710 | A | 28.7 | Very low | 33.5 | Very low | 88 Ų | 88 | 125.7 Ų | 125.7 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | 95.2 | 125.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 711 | E | 31.7 | Very low | 33.3 | Very low | 192 Ų | 192 | 131.1 Ų | 131.1 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | cis | 75.9 | 139.5 | 33.4 | -66.3 | -149.4 | 123.8 | 0 | 0 | 116 | ||||
| 712 | A | 32.3 | Very low | 33 | Very low | 90 Ų | 90 | 130.5 Ų | 130.5 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | cis | -137.9 | -162.3 | 8.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 713 | A | 27.8 | Very low | 32.5 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | cis | -160.4 | -164.7 | 12.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 714 | Q | 25.7 | Very low | 32.3 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -145.1 | -153.5 | 177.6 | -54.4 | -179.7 | -9.1 | 0 | 0 | 108.4 | ||||
| 715 | P | 48.2 | Very low | 32.2 | Very low | 107 Ų | 107 | 142 Ų | 142 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | cis | -131.2 | -145.9 | -19.4 | 44.3 | -24.9 | 0 | 0 | 0 | 109.8 | ||||
| 716 | P | 46.8 | Very low | 32.1 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | cis | -130.8 | -173.5 | -17.3 | 40.5 | -22 | 0 | 0 | 0 | 115.4 | ||||
| 717 | R | 25.3 | Very low | 31.9 | Very low | 201 Ų | 201 | 141 Ų | 141 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | trans | -84.5 | -175.3 | 162 | -43.7 | -175.8 | -173.1 | 172.5 | 0.2 | 110.4 | ||||
| 718 | E | 26.9 | Very low | 31.7 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | cis | -152.9 | -158.6 | 6.9 | -134.4 | 135.7 | -163.2 | 0 | 0 | 105.8 | ||||
| 719 | T | 23.9 | Very low | 30.3 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | cis | -165.9 | 167.1 | 12.7 | -8.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 720 | T | 23.9 | Very low | 28.9 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 64% | 0.644 | 77% | 0.77 | S | S | * | * | trans | 56.3 | 121.8 | 148.5 | 54.4 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 721 | E | 24.7 | Very low | 28.9 | Very low | 182 Ų | 182 | 149 Ų | 149 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | 87.9 | 169 | 124.9 | -69.7 | 167.9 | -155.6 | 0 | 0 | 122.5 | |||||
| 722 | E | 26 | Very low | 28.7 | Very low | 185 Ų | 185 | 143.2 Ų | 143.2 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -110.8 | 155.9 | -142.3 | -47.6 | 178.3 | 129.1 | 0 | 0 | 114.7 | ||||
| 723 | E | 24.1 | Very low | 28.4 | Very low | 196 Ų | 196 | 150.8 Ų | 150.8 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | -172.7 | 165.6 | 123.6 | -107.6 | -178.5 | 171.3 | 0 | 0 | 112 | |||||
| 724 | N | 28.9 | Very low | 28.4 | Very low | 161 Ų | 161 | 151.8 Ų | 151.8 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -95.6 | 150.1 | 177.7 | -73.6 | -80.8 | 0 | 0 | 0 | 111.9 | ||||
| 725 | E | 25.4 | Very low | 28.8 | Very low | 187 Ų | 187 | 149 Ų | 149 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -152.7 | 142.8 | 155.1 | -106.3 | -77.1 | 113.6 | 0 | 0 | 108.6 | ||||
| 726 | A | 27.7 | Very low | 27.6 | Very low | 84 Ų | 84 | 149 Ų | 149 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | trans | -156.4 | 122 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 727 | D | 27.2 | Very low | 27.5 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | trans | -169.2 | 161 | 172.8 | -109.8 | 22.9 | 0 | 0 | 0 | 110.4 | ||||
| 728 | K | 26.6 | Very low | 28.3 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 67% | 0.674 | 77% | 0.768 | S | S | * | * | cis | -171.9 | 156.8 | -29.3 | -125.7 | -169.3 | -150.2 | 85 | 0 | 108.2 | ||||
| 729 | Q | 26.6 | Very low | 28.3 | Very low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 157 | 122.7 | 146.1 | -88.3 | 166.8 | 1.7 | 0 | 0 | 108.4 | ||||
| 730 | E | 28.5 | Very low | 28.5 | Very low | 162 Ų | 162 | 143 Ų | 143 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | 69.2 | 134.4 | 74.8 | -66.5 | -177.9 | 148 | 0 | 0 | 112.4 | |||||
| 731 | E | 28.5 | Very low | 28.5 | Very low | 177 Ų | 177 | 146 Ų | 146 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | cis | -155.6 | 165.7 | 9.4 | -140.5 | -161.1 | 147.5 | 0 | 0 | 113.5 | ||||
| 732 | A | 27.4 | Very low | 29 | Very low | 72 Ų | 72 | 143.3 Ų | 143.3 | 60% | 0.595 | 78% | 0.779 | S | S | * | * | trans | 52.1 | 113.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 733 | R | 26.2 | Very low | 29.3 | Very low | 248 Ų | 248 | 140.8 Ų | 140.8 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | trans | 74 | 145.7 | 130.8 | -66.6 | -178.7 | 173.7 | 179.1 | -0.7 | 122.7 | ||||
| 734 | S | 28.1 | Very low | 29.7 | Very low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -70 | 172.4 | 176.7 | -6.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 735 | P | 33.8 | Very low | 29.7 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | cis | -141 | -174.9 | 26.7 | 43.1 | -23.2 | 0 | 0 | 0 | 117.8 | ||||
| 736 | S | 24 | Very low | 30.1 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -70.8 | 179.3 | 166.1 | 8.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 737 | P | 44.2 | Very low | 30.2 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -127.5 | -145 | -7.7 | 44.7 | -26.9 | 0 | 0 | 0 | 110 | ||||
| 738 | P | 41.8 | Very low | 30.3 | Very low | 109 Ų | 109 | 148.1 Ų | 148.1 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | cis | -131.3 | 167.4 | -22.2 | 40.6 | -24.7 | 0 | 0 | 0 | 116.1 | ||||
| 739 | A | 27.2 | Very low | 30.4 | Very low | 90 Ų | 90 | 146.7 Ų | 146.7 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | 61.7 | 150.3 | 140.7 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 740 | N | 27.4 | Very low | 30.8 | Very low | 135 Ų | 135 | 150 Ų | 150 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | 84.8 | 131.7 | 158.8 | -83.7 | 39.6 | 0 | 0 | 0 | 123 | ||||
| 741 | E | 25.3 | Very low | 31.2 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | trans | 74.9 | 102.8 | 145.9 | -71.9 | 163.6 | -123.7 | 0 | 0 | 120.7 | ||||
| 742 | C | 33.6 | Very low | 31.9 | Very low | 125 Ų | 125 | 149.9 Ų | 149.9 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -63.4 | 159.3 | 152 | -67.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 743 | P | 32.6 | Very low | 33.2 | Very low | 132 Ų | 132 | 154.8 Ų | 154.8 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | -131.6 | 132.2 | 113 | 35.3 | -28.9 | 0 | 0 | 0 | 113.4 | |||||
| 744 | A | 32.9 | Very low | 35 | Very low | 95 Ų | 95 | 147.5 Ų | 147.5 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -76.6 | 157.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 745 | K | 28.9 | Very low | 37.1 | Very low | 215 Ų | 215 | 144.6 Ų | 144.6 | 94% | 0.935 | 76% | 0.755 | S | S | * | * | trans | -144.8 | 102.2 | 157.2 | -112.1 | 166.9 | -172.1 | 172.1 | 0 | 112.2 | ||||
| 746 | R | 32.6 | Very low | 39.4 | Very low | 251 Ų | 251 | 138.9 Ų | 138.9 | 95% | 0.947 | 72% | 0.718 | S | S | * | * | trans | -18.1 | 135.2 | 171.5 | -64.5 | 172.6 | 169.2 | -178 | -6.6 | 116.9 | ||||
| 747 | R | 30.4 | Very low | 42.4 | Very low | 251 Ų | 251 | 133.9 Ų | 133.9 | 95% | 0.947 | 68% | 0.683 | S | S | * | * | trans | -118 | 137.9 | 144.4 | -161.2 | 174 | -174.4 | -176 | 0 | 107.2 | ||||
| 748 | A | 28.8 | Very low | 44.4 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 79% | 0.793 | 66% | 0.662 | S | S | * | * | trans | -85.8 | 130.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 749 | C | 30.6 | Very low | 46.5 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 85% | 0.845 | 63% | 0.633 | S | S | * | * | trans | -78.5 | 147.5 | 161.9 | -165.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 750 | R | 34.8 | Very low | 49.2 | Very low | 237 Ų | 237 | 125.4 Ų | 125.4 | 89% | 0.894 | 61% | 0.612 | S | S | * | * | trans | -104.6 | 107.5 | 167.6 | -80.6 | 179.6 | 164.9 | -179.2 | -6 | 107.2 | R752 | R750-R752 PolarHBondContact O-N 3.24Š| ||
| 751 | K | 35.8 | Very low | 51.9 | Low | 135 Ų | 135 | 120.2 Ų | 120.2 | 59% | 0.587 | 59% | 0.588 | S | S | * | * | trans | -46.9 | 129.2 | 164 | -77 | -166.9 | 173.1 | -169.2 | 0 | 107.5 | E581 E583 | E581-K751 IonicContact OE1-NZ 3.75Å; E581-K751 PolarHBondContact OE1-NZ 3.39Å; E583-K751 IonicContact OE1-NZ 3.61Å; E583-K751 PolarHBondContact OE1-NZ 2.87Å | ||
| 752 | R | 44.6 | Very low | 54.7 | Low | 201 Ų | 201 | 112.3 Ų | 112.3 | 76% | 0.758 | 55% | 0.551 | S | S | * | * | trans | -79 | 169.8 | 162.5 | -90.3 | -178.2 | 159.9 | -176.8 | -8.3 | 107.7 | R750 | R750-R752 PolarHBondContact O-N 3.24Š| ||
| 753 | R | 54.6 | Low | 57.1 | Low | 176 Ų | 176 | 107.4 Ų | 107.4 | 66% | 0.664 | 52% | 0.516 | S | S | * | . | trans | -105.3 | 131.8 | 170.3 | -78.5 | -176.1 | 165.2 | -161.6 | -9.7 | 107.7 | S755 | R753-S755 PolarHBondContact O-N 2.68Š| ||
| 754 | R | 62.6 | Low | 59.5 | Low | 95 Ų | 95 | 103.8 Ų | 103.8 | 36% | 0.358 | 49% | 0.494 | S | S | . | . | trans | -53.8 | 131.8 | 172.3 | -126.7 | 168.2 | 176.1 | 172.9 | -6.9 | 108.7 | L582 E583 E585 | L582-R754 HydrophobicContact CB-CB 4.08Å; L582-R754 HydrophobicContact CD1-CB 4.43Å; E583-R754 PolarHBondContact O-NH1 3.26Å; E583-R754 VanDerWaalsContact O-NH1 3.08Å; E585-R754 IonicContact OE2-NH1 3.84Å; E585-R754 PolarHBondContact OE2-NH1 2.96Å; E585-R754 VanDerWaalsContact OE2-NH1 3.16Å | ||
| 755 | S | 72.2 | Confident | 61.8 | Low | 54 Ų | 54 | 103.2 Ų | 103.2 | 38% | 0.378 | 48% | 0.478 | S | S | . | . | trans | -78.7 | 145.2 | -179.7 | -163.9 | 0 | 0 | 0 | 0 | 110.2 | Y562 R753 F757 | Y562-S755 WeakPolarHBondContact CE2-OG 3.2Å; Y562-S755 PolarHBondContact OH-OG 2.72Å; R753-S755 PolarHBondContact O-N 2.68Å; S755-F757 VanDerWaalsContact C-N 3.25Å; S755-F757 WeakPolarHBondContact CB-O 3.35Å; S755-F757 PolarHBondContact O-N 2.74Å; S755-F757 PolarHBondContact OG-O 2.72Å | ||
| 756 | L | 82.3 | Confident | 64.2 | Low | 1 Ų | 1 | 93 Ų | 93 | 1% | 0.005 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -66.8 | -32.9 | 177.1 | -63.5 | -171.8 | 0 | 0 | 0 | 112 | Y562 L566 V573 P576 W791 M795 F799 | Y562-L756 WeakPolarHBondContact OH-CB 3.34Å; Y562-L756 PolarHBondContact OH-N 3.18Å; Y562-L756 VanDerWaalsContact OH-N 3.08Å; L566-L756 HydrophobicContact CD1-CD1 3.84Å; V573-L756 HydrophobicContact CG1-CD1 3.71Å; P576-L756 HydrophobicContact CB-CD2 4.45Å; P576-L756 HydrophobicContact CG-CD2 4.2Å; L756-W791 HydrophobicContact CB-CH2 4.42Å; L756-W791 HydrophobicContact CB-CZ3 4.19Å; L756-M795 HydrophobicContact CD2-CE 3.55Å; L756-M795 WeakPolarHBondContact O-CB 3.36Å; L756-F799 HydrophobicContact CD1-CB 4.47Å; L756-F799 HydrophobicContact CD2-CB 4.42Å; L756-F799 HydrophobicContact CD2-CD1 4.26Å; L756-F799 HydrophobicContact CD2-CD2 3.85Å; L756-F799 HydrophobicContact CD2-CE2 4.16Å; L756-F799 HydrophobicContact CD2-CG 3.91Å; L756-F799 HydrophobicContact CD2-CZ 4.49Å |
| 757 | F | 87.7 | Confident | 66.5 | Low | 4 Ų | 4 | 84.7 Ų | 84.7 | 2% | 0.018 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 168.6 | -179.4 | 54.1 | -103.3 | 0 | 0 | 0 | 109.7 | Y562 F565 L566 L569 S755 I759 I789 D790 W791 | Y562-F757 AromaticContact CD2-CD2 3.72Å; Y562-F757 HydrophobicContact CD2-CD2 3.72Å; Y562-F757 AromaticContact CD2-CE2 3.27Å; Y562-F757 HydrophobicContact CD2-CE2 3.27Å; Y562-F757 AromaticContact CD2-CZ 3.78Å; Y562-F757 HydrophobicContact CD2-CZ 3.78Å; Y562-F757 HydrophobicContact CE2-CD1 4.12Å; Y562-F757 AromaticContact CE2-CD2 3.52Å; Y562-F757 HydrophobicContact CE2-CD2 3.52Å; Y562-F757 AromaticContact CE2-CE1 3.96Å; Y562-F757 HydrophobicContact CE2-CE1 3.96Å; Y562-F757 AromaticContact CE2-CE2 3.35Å; Y562-F757 HydrophobicContact CE2-CE2 3.35Å; Y562-F757 AromaticContact CE2-CG 3.93Å; Y562-F757 HydrophobicContact CE2-CG 3.93Å; Y562-F757 AromaticContact CE2-CZ 3.57Å; Y562-F757 HydrophobicContact CE2-CZ 3.57Å; Y562-F757 HydrophobicContact CG-CE2 4.3Å; F565-F757 HydrophobicContact CB-CE2 4.34Å; F565-F757 HydrophobicContact CB-CZ 4.14Å; L566-F757 HydrophobicContact CB-CZ 4.36Å; L566-F757 HydrophobicContact CD1-CE1 4.12Å; L569-F757 HydrophobicContact CD1-CE1 4.28Å; S755-F757 VanDerWaalsContact C-N 3.25Å; S755-F757 WeakPolarHBondContact CB-O 3.35Å; S755-F757 PolarHBondContact O-N 2.74Å; S755-F757 PolarHBondContact OG-O 2.72Å; F757-I759 HydrophobicContact CD2-CG1 4.49Å; F757-I759 HydrophobicContact CE2-CG1 4.38Å; F757-I789 HydrophobicContact CB-CG2 3.56Å; F757-I789 HydrophobicContact CD1-CG2 4.01Å; F757-I789 HydrophobicContact CD2-CB 4.38Å; F757-I789 HydrophobicContact CD2-CG1 4.26Å; F757-I789 HydrophobicContact CD2-CG2 3.4Å; F757-I789 VanDerWaalsContact CD2-CG2 3.4Å; F757-I789 HydrophobicContact CE2-CD1 4.15Å; F757-I789 HydrophobicContact CE2-CG1 4.19Å; F757-I789 HydrophobicContact CE2-CG2 3.99Å; F757-I789 HydrophobicContact CG-CG2 3.4Å; F757-I789 HydrophobicContact CZ-CD1 4.4Å; F757-D790 CarbonylContact C-O 3.54Å; F757-D790 VanDerWaalsContact CA-O 3.27Å; F757-D790 WeakPolarHBondContact CA-O 3.47Å; F757-D790 VanDerWaalsContact CB-O 3.31Å; F757-D790 WeakPolarHBondContact CB-O 3.17Å; F757-W791 HydrophobicContact CB-CD2 4.16Å; F757-W791 HydrophobicContact CB-CE3 4.47Å; F757-W791 HydrophobicContact CB-CG 4.41Å; F757-W791 AromaticContact CD1-CE2 3.98Å; F757-W791 AromaticContact CD1-CH2 3.76Å; F757-W791 HydrophobicContact CD1-CH2 3.76Å; F757-W791 AromaticContact CD1-CZ2 3.55Å; F757-W791 HydrophobicContact CD1-CZ2 3.55Å; F757-W791 HydrophobicContact CD1-CZ3 4.34Å; F757-W791 HydrophobicContact CE1-CH2 4.35Å; F757-W791 HydrophobicContact CE1-CZ2 4.09Å; F757-W791 HydrophobicContact CG-CZ2 4.44Å |
| 758 | T | 85.8 | Confident | 68.8 | Low | 53 Ų | 53 | 75.9 Ų | 75.9 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 158.1 | 171.7 | 56.3 | 0 | 0 | 0 | 0 | 110.8 | R525 I789 D790 | R525-T758 PolarHBondContact NH2-OG1 2.63Å; T758-I789 WeakPolarHBondContact O-CA 3.43Å; T758-D790 PolarHBondContact N-O 3.19Å; T758-D790 PolarHBondContact O-N 3.22Å |
| 759 | I | 86.6 | Confident | 70.2 | Confident | 22 Ų | 22 | 76.4 Ų | 76.4 | 11% | 0.113 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.5 | -177.3 | -61.7 | 171.8 | 0 | 0 | 0 | 108.2 | L561 F565 F757 V787 | L561-I759 HydrophobicContact CB-CD1 4.03Å; F565-I759 HydrophobicContact CD2-CD1 3.65Å; F565-I759 HydrophobicContact CD2-CG1 4.02Å; F565-I759 HydrophobicContact CE2-CD1 3.67Å; F565-I759 HydrophobicContact CE2-CG1 4.02Å; F565-I759 HydrophobicContact CE2-CG2 4.07Å; F757-I759 HydrophobicContact CD2-CG1 4.49Å; F757-I759 HydrophobicContact CE2-CG1 4.38Å; I759-V787 HydrophobicContact CG2-CG1 3.5Å |
| 760 | Q | 84.1 | Confident | 71.1 | Confident | 64 Ų | 64 | 79.4 Ų | 79.4 | 30% | 0.299 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 143 | 175 | -64.5 | -166.7 | -9.5 | 0 | 0 | 111 | T768 V787 A788 D790 | Q760-T768 HydrophobicContact CB-CG2 4.38Å; Q760-V787 CarbonylContact O-C 3.57Å; Q760-V787 WeakPolarHBondContact O-CA 3.48Å; Q760-A788 PolarHBondContact N-O 3Å; Q760-A788 PolarHBondContact O-N 3.33Å; Q760-D790 PolarHBondContact NE2-OD2 3.5Å; Q760-D790 PolarHBondContact OE1-OD2 3.35Å |
| 761 | A | 83.1 | Confident | 71.6 | Confident | 26 Ų | 26 | 71.6 Ų | 71.6 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 142.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | T768 M772 V779 | A761-T768 WeakPolarHBondContact O-CG2 3.27Å; A761-M772 HydrophobicContact CB-SD 4.45Å; A761-V779 HydrophobicContact CB-CG1 4.26Å |
| 762 | V | 83.8 | Confident | 71.9 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | trans | -142.3 | 166.5 | -177.8 | -66.1 | 0 | 0 | 0 | 0 | 110.2 | Y521 T767 T768 Q784 Y786 A788 | Y521-V762 HydrophobicContact CD2-CG2 3.98Å; V762-T767 WeakPolarHBondContact CA-O 3.25Å; V762-T767 WeakPolarHBondContact CB-O 3.46Å; V762-T768 HydrophobicContact CG1-CG2 4.2Å; V762-Q784 PolarHBondContact O-OE1 3.01Å; V762-Y786 PolarHBondContact N-O 2.91Å; V762-Y786 VanDerWaalsContact N-O 3.15Å; V762-Y786 WeakPolarHBondContact O-CB 3.05Å; V762-A788 HydrophobicContact CG1-CB 3.63Å; V762-A788 HydrophobicContact CG2-CB 4.13Å | ||
| 763 | N | 85.3 | Confident | 71.5 | Confident | 22 Ų | 22 | 65 Ų | 65 | 12% | 0.118 | 36% | 0.358 | C | S | . | . | trans | -80.7 | 179.5 | 167.8 | 62.9 | 37.5 | 0 | 0 | 0 | 111.8 | N765 G766 T767 E769 | N763-N765 PolarHBondContact O-N 2.65Å; N763-N765 VanDerWaalsContact O-N 3.15Å; N763-N765 WeakPolarHBondContact OD1-CA 3.27Å; N763-N765 WeakPolarHBondContact OD1-CB 3.4Å; N763-N765 PolarHBondContact OD1-N 3.45Å; N763-G766 PolarHBondContact O-N 3.23Å; N763-G766 PolarHBondContact OD1-N 3.35Å; N763-T767 VanDerWaalsContact CG-O 3.28Å; N763-T767 PolarHBondContact N-O 2.59Å; N763-T767 PolarHBondContact ND2-O 2.89Å; N763-T767 PolarHBondContact ND2-OG1 2.72Å; N763-T767 PolarHBondContact OD1-N 3.03Å; N763-T767 PolarHBondContact OD1-O 3.36Å; N763-T767 PolarHBondContact OD1-OG1 2.94Å; N763-E769 HydrophobicContact CB-CG 4.2Å | ||
| 764 | S | 81.8 | Confident | 70.7 | Confident | 57 Ų | 57 | 64.5 Ų | 64.5 | 40% | 0.399 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24 | 179.4 | 53.3 | 0 | 0 | 0 | 0 | 114.6 | Y521 G766 | Y521-S764 PolarHBondContact OH-O 3.39Å; S764-G766 VanDerWaalsContact C-N 3.29Å |
| 765 | N | 81.3 | Confident | 69.3 | Low | 82 Ų | 82 | 62.8 Ų | 62.8 | 44% | 0.439 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -3.1 | 175.3 | -65.3 | -52.1 | 0 | 0 | 0 | 113.4 | R483 N763 T767 | R483-N765 PolarHBondContact NH1-OD1 2.81Å; N763-N765 PolarHBondContact O-N 2.65Å; N763-N765 VanDerWaalsContact O-N 3.15Å; N763-N765 WeakPolarHBondContact OD1-CA 3.27Å; N763-N765 WeakPolarHBondContact OD1-CB 3.4Å; N763-N765 PolarHBondContact OD1-N 3.45Å; N765-T767 VanDerWaalsContact C-N 3.32Å |
| 766 | G | 79.5 | Confident | 67.7 | Low | 2 Ų | 2 | 65 Ų | 65 | 2% | 0.021 | 41% | 0.406 | C | S | . | . | S | Bend | trans | 79.9 | 8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | R523 N763 S764 | R523-G766 WeakPolarHBondContact CD-O 3.49Å; R523-G766 PolarHBondContact NH1-O 3.38Å; N763-G766 PolarHBondContact O-N 3.23Å; N763-G766 PolarHBondContact OD1-N 3.35Å; S764-G766 VanDerWaalsContact C-N 3.29Å |
| 767 | T | 81.1 | Confident | 65.4 | Low | 76 Ų | 76 | 70.1 Ų | 70.1 | 47% | 0.466 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -95.2 | 149.2 | 176.6 | 61.8 | 0 | 0 | 0 | 0 | 111.7 | V762 N763 N765 | V762-T767 WeakPolarHBondContact CA-O 3.25Å; V762-T767 WeakPolarHBondContact CB-O 3.46Å; N763-T767 VanDerWaalsContact CG-O 3.28Å; N763-T767 PolarHBondContact N-O 2.59Å; N763-T767 PolarHBondContact ND2-O 2.89Å; N763-T767 PolarHBondContact ND2-OG1 2.72Å; N763-T767 PolarHBondContact OD1-N 3.03Å; N763-T767 PolarHBondContact OD1-O 3.36Å; N763-T767 PolarHBondContact OD1-OG1 2.94Å; N765-T767 VanDerWaalsContact C-N 3.32Å |
| 768 | T | 79.4 | Confident | 63.2 | Low | 66 Ų | 66 | 74.4 Ų | 74.4 | 41% | 0.405 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 131.5 | 175.1 | 16.8 | 0 | 0 | 0 | 0 | 110.4 | Q760 A761 V762 | Q760-T768 HydrophobicContact CB-CG2 4.38Å; A761-T768 WeakPolarHBondContact O-CG2 3.27Å; V762-T768 HydrophobicContact CG1-CG2 4.2Å |
| 769 | E | 58 | Low | 61.3 | Low | 107 Ų | 107 | 75 Ų | 75 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -85.9 | 133.2 | 178.4 | -60.8 | -173.8 | 145.3 | 0 | 0 | 110.7 | N763 G771 Q784 | N763-E769 HydrophobicContact CB-CG 4.2Å; E769-G771 PolarHBondContact O-N 3.34Å; E769-Q784 PolarHBondContact OE2-NE2 2.91Å |
| 770 | R | 48.3 | Very low | 59.2 | Low | 187 Ų | 187 | 78 Ų | 78 | 71% | 0.706 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 96 | 177.9 | -69.7 | -171 | -177.7 | -146.6 | -2.9 | 110 | S533 | S533-R770 PolarHBondContact OG-NH2 3.4Š|
| 771 | G | 46.6 | Very low | 57.7 | Low | 74 Ų | 74 | 77.5 Ų | 77.5 | 76% | 0.763 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 169.7 | -28.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | E769 G773 | E769-G771 PolarHBondContact O-N 3.34Å; G771-G773 PolarHBondContact O-N 3.29Å |
| 772 | M | 41.4 | Very low | 56 | Low | 129 Ų | 129 | 81 Ų | 81 | 64% | 0.635 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -80.9 | 112.8 | 168.7 | -67.9 | -164.8 | 178.3 | 0 | 0 | 109.1 | A761 | A761-M772 HydrophobicContact CB-SD 4.45Š|
| 773 | G | 35.3 | Very low | 54.3 | Low | 67 Ų | 67 | 85.1 Ų | 85.1 | 69% | 0.691 | 55% | 0.553 | S | S | * | * | trans | -85.1 | 163.9 | -159.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | G771 G775 | G771-G773 PolarHBondContact O-N 3.29Å; G773-G775 VanDerWaalsContact C-N 3.33Å; G773-G775 PolarHBondContact O-N 3.08Å | ||
| 774 | E | 38.8 | Very low | 52.9 | Low | 167 Ų | 167 | 86.6 Ų | 86.6 | 78% | 0.78 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -64.5 | 86.8 | 166.3 | -70 | 166.9 | 120.8 | 0 | 0 | 110.1 | N536 | N536-E774 PolarHBondContact ND2-OE1 3.15Å; N536-E774 VanDerWaalsContact ND2-OE1 3.15Å |
| 775 | G | 33.2 | Very low | 52.5 | Low | 58 Ų | 58 | 86.5 Ų | 86.5 | 60% | 0.598 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -171.1 | 117.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G773 S777 | G773-G775 VanDerWaalsContact C-N 3.33Å; G773-G775 PolarHBondContact O-N 3.08Å; G775-S777 PolarHBondContact O-N 2.91Å |
| 776 | G | 37.9 | Very low | 52.7 | Low | 101 Ų | 101 | 85.6 Ų | 85.6 | 100% | 1.041 | 55% | 0.548 | S | S | * | . | trans | -72.7 | 61.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 777 | S | 35.6 | Very low | 53.1 | Low | 109 Ų | 109 | 85.5 Ų | 85.5 | 76% | 0.762 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -112.3 | 159.8 | 168.3 | -164.9 | 0 | 0 | 0 | 0 | 110.3 | G775 V779 | G775-S777 PolarHBondContact O-N 2.91Å; S777-V779 PolarHBondContact O-N 3.3Å |
| 778 | A | 39.7 | Very low | 53.5 | Low | 94 Ų | 94 | 81.9 Ų | 81.9 | 78% | 0.777 | 53% | 0.525 | S | S | * | . | trans | -59.8 | 130.7 | -165.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S780 | A778-S780 PolarHBondContact O-N 2.87Å; A778-S780 VanDerWaalsContact O-N 3.16Å | ||
| 779 | V | 46 | Very low | 54 | Low | 66 Ų | 66 | 78.8 Ų | 78.8 | 40% | 0.4 | 51% | 0.506 | S | S | . | . | trans | -63.5 | 113.5 | 171.9 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | A761 S777 F781 | A761-V779 HydrophobicContact CB-CG1 4.26Å; S777-V779 PolarHBondContact O-N 3.3Å; V779-F781 HydrophobicContact CB-CD2 4.42Å; V779-F781 HydrophobicContact CB-CE1 4.32Å; V779-F781 HydrophobicContact CB-CE2 3.83Å; V779-F781 HydrophobicContact CB-CZ 3.76Å; V779-F781 HydrophobicContact CG1-CD1 4.01Å; V779-F781 HydrophobicContact CG1-CD2 4.3Å; V779-F781 HydrophobicContact CG1-CE1 3.65Å; V779-F781 HydrophobicContact CG1-CE2 3.97Å; V779-F781 HydrophobicContact CG1-CG 4.32Å; V779-F781 HydrophobicContact CG1-CZ 3.63Å; V779-F781 WeakPolarHBondContact O-CD2 3.32Å; V779-F781 WeakPolarHBondContact O-CE2 3.29Å; V779-F781 PolarHBondContact O-N 3.37Å; V779-F781 VanDerWaalsContact O-N 3.13Å | ||
| 780 | S | 43.8 | Very low | 55.5 | Low | 83 Ų | 83 | 73.8 Ų | 73.8 | 58% | 0.58 | 48% | 0.483 | S | S | * | . | trans | -81 | 91.9 | 176.9 | -169.4 | 0 | 0 | 0 | 0 | 109.9 | A778 S782 | A778-S780 PolarHBondContact O-N 2.87Å; A778-S780 VanDerWaalsContact O-N 3.16Å; S780-S782 PolarHBondContact O-N 3Å; S780-S782 PolarHBondContact OG-OG 3.4Å | ||
| 781 | F | 53 | Low | 57.5 | Low | 54 Ų | 54 | 64.9 Ų | 64.9 | 24% | 0.237 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 26.8 | 177.7 | -59.6 | -81.8 | 0 | 0 | 0 | 114.5 | C556 L561 V779 V787 | C556-F781 HydrophobicContact CB-CD2 3.72Å; C556-F781 HydrophobicContact CB-CE2 3.99Å; L561-F781 HydrophobicContact CD1-CE1 4.04Å; L561-F781 HydrophobicContact CD1-CE2 3.72Å; L561-F781 HydrophobicContact CD1-CZ 3.33Å; V779-F781 HydrophobicContact CB-CD2 4.42Å; V779-F781 HydrophobicContact CB-CE1 4.32Å; V779-F781 HydrophobicContact CB-CE2 3.83Å; V779-F781 HydrophobicContact CB-CZ 3.76Å; V779-F781 HydrophobicContact CG1-CD1 4.01Å; V779-F781 HydrophobicContact CG1-CD2 4.3Å; V779-F781 HydrophobicContact CG1-CE1 3.65Å; V779-F781 HydrophobicContact CG1-CE2 3.97Å; V779-F781 HydrophobicContact CG1-CG 4.32Å; V779-F781 HydrophobicContact CG1-CZ 3.63Å; V779-F781 WeakPolarHBondContact O-CD2 3.32Å; V779-F781 WeakPolarHBondContact O-CE2 3.29Å; V779-F781 PolarHBondContact O-N 3.37Å; V779-F781 VanDerWaalsContact O-N 3.13Å; F781-V787 HydrophobicContact CD1-CG2 4.49Å; F781-V787 HydrophobicContact CE1-CG2 3.96Å |
| 782 | S | 46 | Very low | 59.3 | Low | 101 Ų | 101 | 64.7 Ų | 64.7 | 71% | 0.706 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -7.6 | -175.1 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | S780 | S780-S782 PolarHBondContact O-N 3Å; S780-S782 PolarHBondContact OG-OG 3.4Å |
| 783 | S | 49.4 | Very low | 61.4 | Low | 85 Ų | 85 | 59 Ų | 59 | 59% | 0.594 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -131.6 | -22.2 | -171.9 | 57.3 | 0 | 0 | 0 | 0 | 116.5 | ||
| 784 | Q | 54.9 | Low | 63.6 | Low | 54 Ų | 54 | 58.6 Ų | 58.6 | 25% | 0.252 | 39% | 0.385 | S | S | . | . | trans | -138.5 | 122.3 | -178.7 | -69.7 | -177.4 | -11.4 | 0 | 0 | 111 | V762 E769 Y786 | V762-Q784 PolarHBondContact O-OE1 3.01Å; E769-Q784 PolarHBondContact OE2-NE2 2.91Å; Q784-Y786 VanDerWaalsContact C-N 3.33Å; Q784-Y786 PolarHBondContact O-N 3.22Å | ||
| 785 | P | 74.2 | Confident | 65.8 | Low | 55 Ų | 55 | 51.6 Ų | 51.6 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | trans | -90.8 | 18.5 | -178.2 | 36.9 | -36.9 | 0 | 0 | 0 | 114 | L517 A519 | L517-P785 WeakPolarHBondContact O-CB 3.39Å; A519-P785 PolarHBondContact N-O 2.87Å | ||
| 786 | Y | 85.5 | Confident | 68.3 | Low | 62 Ų | 62 | 49.5 Ų | 49.5 | 24% | 0.243 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.2 | -177.9 | -55.7 | -92.6 | 0 | 0 | 0 | 110.8 | A519 Y521 V762 Q784 | A519-Y786 HydrophobicContact CB-CD1 3.47Å; A519-Y786 VanDerWaalsContact CB-CD1 3.47Å; A519-Y786 HydrophobicContact CB-CE1 3.83Å; A519-Y786 HydrophobicContact CB-CG 4.32Å; A519-Y786 WeakPolarHBondContact O-CA 3.38Å; Y521-Y786 AromaticContact CE2-CD1 3.89Å; Y521-Y786 HydrophobicContact CE2-CD1 3.89Å; V762-Y786 PolarHBondContact N-O 2.91Å; V762-Y786 VanDerWaalsContact N-O 3.15Å; V762-Y786 WeakPolarHBondContact O-CB 3.05Å; Q784-Y786 VanDerWaalsContact C-N 3.33Å; Q784-Y786 PolarHBondContact O-N 3.22Å |
| 787 | V | 87.9 | Confident | 70.5 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 140.5 | -177.8 | 164.3 | 0 | 0 | 0 | 0 | 109.4 | L518 A519 L520 Y521 F565 I759 Q760 F781 | L518-V787 HydrophobicContact CD1-CB 4.45Å; L518-V787 HydrophobicContact CD1-CG2 3.86Å; L518-V787 HydrophobicContact CD2-CB 4.26Å; L518-V787 HydrophobicContact CD2-CG2 4.19Å; L518-V787 HydrophobicContact CG-CB 4.43Å; L518-V787 HydrophobicContact CG-CG2 4.32Å; A519-V787 PolarHBondContact O-N 3.08Å; L520-V787 CarbonylContact C-O 3.56Å; L520-V787 WeakPolarHBondContact CA-O 3.27Å; L520-V787 HydrophobicContact CD1-CB 4.3Å; L520-V787 HydrophobicContact CD1-CG1 3.84Å; Y521-V787 PolarHBondContact N-O 3.37Å; F565-V787 HydrophobicContact CE2-CG1 3.92Å; F565-V787 HydrophobicContact CZ-CG1 4.14Å; I759-V787 HydrophobicContact CG2-CG1 3.5Å; Q760-V787 CarbonylContact O-C 3.57Å; Q760-V787 WeakPolarHBondContact O-CA 3.48Å; F781-V787 HydrophobicContact CD1-CG2 4.49Å; F781-V787 HydrophobicContact CE1-CG2 3.96Å |
| 788 | A | 88.1 | Confident | 72.8 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 143.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y521 R523 Q760 V762 | Y521-A788 CarbonylContact O-C 3.57Å; Y521-A788 WeakPolarHBondContact O-CA 3.45Å; R523-A788 HydrophobicContact CG-CB 4.04Å; Q760-A788 PolarHBondContact N-O 3Å; Q760-A788 PolarHBondContact O-N 3.33Å; V762-A788 HydrophobicContact CG1-CB 3.63Å; V762-A788 HydrophobicContact CG2-CB 4.13Å |
| 789 | I | 90.8 | Very high | 75 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 112.9 | 163.9 | -70 | 172.8 | 0 | 0 | 0 | 107.6 | L520 Y521 L522 R523 F565 L569 F757 T758 | L520-I789 HydrophobicContact CD1-CD1 3.89Å; L520-I789 HydrophobicContact CD1-CG1 3.85Å; L520-I789 HydrophobicContact CD2-CD1 3.94Å; L520-I789 HydrophobicContact CG-CD1 4.11Å; Y521-I789 PolarHBondContact O-N 2.76Å; L522-I789 HydrophobicContact CD2-CB 4.25Å; L522-I789 HydrophobicContact CD2-CD1 4.37Å; L522-I789 HydrophobicContact CD2-CG2 4.39Å; R523-I789 PolarHBondContact N-O 3.36Å; R523-I789 VanDerWaalsContact O-O 3.13Å; F565-I789 HydrophobicContact CB-CD1 3.81Å; F565-I789 HydrophobicContact CD2-CD1 3.7Å; F565-I789 HydrophobicContact CD2-CG1 3.87Å; F565-I789 HydrophobicContact CE2-CG1 4.4Å; F565-I789 HydrophobicContact CG-CD1 3.95Å; L569-I789 HydrophobicContact CD1-CD1 3.91Å; F757-I789 HydrophobicContact CB-CG2 3.56Å; F757-I789 HydrophobicContact CD1-CG2 4.01Å; F757-I789 HydrophobicContact CD2-CB 4.38Å; F757-I789 HydrophobicContact CD2-CG1 4.26Å; F757-I789 HydrophobicContact CD2-CG2 3.4Å; F757-I789 VanDerWaalsContact CD2-CG2 3.4Å; F757-I789 HydrophobicContact CE2-CD1 4.15Å; F757-I789 HydrophobicContact CE2-CG1 4.19Å; F757-I789 HydrophobicContact CE2-CG2 3.99Å; F757-I789 HydrophobicContact CG-CG2 3.4Å; F757-I789 HydrophobicContact CZ-CD1 4.4Å; T758-I789 WeakPolarHBondContact O-CA 3.43Å |
| 790 | D | 88.6 | Confident | 77 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.011 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 110 | 175.1 | -76.6 | 3.4 | 0 | 0 | 0 | 110.3 | R523 R525 F757 T758 Q760 | R523-D790 IonicContact CZ-OD1 3.91Å; R523-D790 IonicContact NE-OD1 3.85Å; R523-D790 PolarHBondContact NE-OD1 3.08Å; R523-D790 VanDerWaalsContact NH2-CG 3.31Å; R523-D790 IonicContact NH2-OD1 2.74Å; R523-D790 PolarHBondContact NH2-OD1 3.27Å; R523-D790 IonicContact NH2-OD2 2.65Å; R523-D790 PolarHBondContact NH2-OD2 2.94Å; R525-D790 IonicContact CZ-OD2 2.68Å; R525-D790 IonicContact NE-OD2 3.78Å; R525-D790 PolarHBondContact NE-OD2 3.24Å; R525-D790 VanDerWaalsContact NH2-CB 3.34Å; R525-D790 IonicContact NH2-OD2 3.17Å; R525-D790 PolarHBondContact NH2-OD2 3.24Å; F757-D790 CarbonylContact C-O 3.54Å; F757-D790 VanDerWaalsContact CA-O 3.27Å; F757-D790 WeakPolarHBondContact CA-O 3.47Å; F757-D790 VanDerWaalsContact CB-O 3.31Å; F757-D790 WeakPolarHBondContact CB-O 3.17Å; T758-D790 PolarHBondContact N-O 3.19Å; T758-D790 PolarHBondContact O-N 3.22Å; Q760-D790 PolarHBondContact NE2-OD2 3.5Å; Q760-D790 PolarHBondContact OE1-OD2 3.35Å |
| 791 | W | 89.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 135.6 | 167 | -68.7 | 84.3 | 0 | 0 | 0 | 111.1 | R523 R525 F543 L569 V573 L756 F757 K796 Y800 | R523-W791 PolarHBondContact O-N 3.3Å; R525-W791 PolarHBondContact N-O 2.89Å; R525-W791 VanDerWaalsContact N-O 3.08Å; F543-W791 AromaticContact CE1-CD1 3.93Å; F543-W791 HydrophobicContact CE1-CG 4.41Å; F543-W791 AromaticContact CZ-CD1 3.56Å; F543-W791 HydrophobicContact CZ-CG 4.07Å; L569-W791 HydrophobicContact CD1-CZ2 4.22Å; V573-W791 HydrophobicContact CB-CH2 4.37Å; V573-W791 HydrophobicContact CG1-CH2 3.81Å; V573-W791 HydrophobicContact CG2-CH2 3.59Å; V573-W791 HydrophobicContact CG2-CZ2 3.66Å; L756-W791 HydrophobicContact CB-CH2 4.42Å; L756-W791 HydrophobicContact CB-CZ3 4.19Å; F757-W791 HydrophobicContact CB-CD2 4.16Å; F757-W791 HydrophobicContact CB-CE3 4.47Å; F757-W791 HydrophobicContact CB-CG 4.41Å; F757-W791 AromaticContact CD1-CE2 3.98Å; F757-W791 AromaticContact CD1-CH2 3.76Å; F757-W791 HydrophobicContact CD1-CH2 3.76Å; F757-W791 AromaticContact CD1-CZ2 3.55Å; F757-W791 HydrophobicContact CD1-CZ2 3.55Å; F757-W791 HydrophobicContact CD1-CZ3 4.34Å; F757-W791 HydrophobicContact CE1-CH2 4.35Å; F757-W791 HydrophobicContact CE1-CZ2 4.09Å; F757-W791 HydrophobicContact CG-CZ2 4.44Å; W791-K796 HydrophobicContact CB-CB 4.07Å; W791-K796 HydrophobicContact CB-CG 4.44Å; W791-K796 HydrophobicContact CD2-CB 4.48Å; W791-K796 HydrophobicContact CE3-CB 4.17Å; W791-K796 HydrophobicContact CG-CB 4.48Å; W791-Y800 AromaticContact CE2-CD2 3.93Å; W791-Y800 HydrophobicContact CH2-CD2 4.15Å; W791-Y800 AromaticContact CZ2-CD2 3.69Å; W791-Y800 HydrophobicContact CZ2-CD2 3.69Å; W791-Y800 HydrophobicContact CZ2-CE2 4.44Å |
| 792 | D | 86.1 | Confident | 80.6 | Confident | 70 Ų | 70 | 50.6 Ų | 50.6 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | trans | -72 | 139.9 | 156 | 170.5 | -89.9 | 0 | 0 | 0 | 109.5 | D794 M795 K796 | D792-D794 PolarHBondContact O-N 2.95Å; D792-D794 WeakPolarHBondContact OD1-CA 3.4Å; D792-D794 WeakPolarHBondContact OD1-CB 3.45Å; D792-D794 PolarHBondContact OD1-N 3.17Å; D792-M795 HydrophobicContact CB-CB 4.07Å; D792-M795 HydrophobicContact CB-CG 3.94Å; D792-M795 PolarHBondContact O-N 3.39Å; D792-M795 PolarHBondContact OD1-N 2.84Å; D792-K796 WeakPolarHBondContact O-CB 3.48Å; D792-K796 PolarHBondContact O-N 2.73Å | ||
| 793 | P | 84.1 | Confident | 82.4 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 7% | 0.065 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.2 | -38.9 | -176.9 | -27.7 | 37 | 0 | 0 | 0 | 114.8 | E524 R525 H527 K796 K797 | E524-P793 HydrophobicContact CG-CG 4.23Å; R525-P793 WeakPolarHBondContact O-CG 3.32Å; H527-P793 WeakPolarHBondContact NE2-CB 3.25Å; P793-K796 PolarHBondContact O-N 3.43Å; P793-K797 WeakPolarHBondContact O-CB 3.29Å; P793-K797 PolarHBondContact O-N 3.36Å |
| 794 | D | 82.7 | Confident | 84.1 | Confident | 58 Ų | 58 | 48.5 Ų | 48.5 | 31% | 0.31 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -72.2 | -38.1 | 179.1 | -104.9 | -79.9 | 0 | 0 | 0 | 110.9 | D792 K797 R798 | D792-D794 PolarHBondContact O-N 2.95Å; D792-D794 WeakPolarHBondContact OD1-CA 3.4Å; D792-D794 WeakPolarHBondContact OD1-CB 3.45Å; D792-D794 PolarHBondContact OD1-N 3.17Å; D794-K797 PolarHBondContact O-N 2.78Å; D794-R798 WeakPolarHBondContact O-CB 3.46Å; D794-R798 WeakPolarHBondContact O-CD 3.43Å; D794-R798 WeakPolarHBondContact O-CG 3.32Å; D794-R798 PolarHBondContact O-N 3.17Å; D794-R798 IonicContact OD1-CZ 2.64Å; D794-R798 IonicContact OD1-NE 2.91Å; D794-R798 PolarHBondContact OD1-NE 2.96Å; D794-R798 IonicContact OD1-NH2 3.92Å; D794-R798 PolarHBondContact OD1-NH2 2.98Å |
| 795 | M | 83.9 | Confident | 85.5 | Confident | 21 Ų | 21 | 46.1 Ų | 46.1 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.7 | -39.8 | 172.7 | -60.3 | -59.3 | -75.4 | 0 | 0 | 112 | L582 L756 D792 R798 F799 | L582-M795 HydrophobicContact CD1-CE 4.14Å; L582-M795 HydrophobicContact CD2-CE 4.11Å; L582-M795 HydrophobicContact CD2-SD 4.47Å; L756-M795 HydrophobicContact CD2-CE 3.55Å; L756-M795 WeakPolarHBondContact O-CB 3.36Å; D792-M795 HydrophobicContact CB-CB 4.07Å; D792-M795 HydrophobicContact CB-CG 3.94Å; D792-M795 PolarHBondContact O-N 3.39Å; D792-M795 PolarHBondContact OD1-N 2.84Å; M795-R798 PolarHBondContact O-N 2.77Å; M795-F799 HydrophobicContact CE-CD2 3.97Å; M795-F799 HydrophobicContact CE-CE2 3.72Å; M795-F799 WeakPolarHBondContact O-CB 3.46Å; M795-F799 WeakPolarHBondContact O-CD2 3.34Å; M795-F799 PolarHBondContact O-N 3Å; M795-F799 HydrophobicContact SD-CD2 4.34Å; M795-F799 HydrophobicContact SD-CE2 4.03Å |
| 796 | K | 86.4 | Confident | 86 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.8 | -55.1 | 172.7 | -169.3 | -165.6 | 174.7 | -162.1 | 0 | 110.1 | E524 F543 W791 D792 P793 R798 F799 Y800 E802 | E524-K796 HydrophobicContact CB-CD 4.41Å; E524-K796 VanDerWaalsContact CD-CD 3.4Å; E524-K796 HydrophobicContact CG-CD 4.15Å; E524-K796 WeakPolarHBondContact OE1-CD 3.48Å; E524-K796 IonicContact OE1-NZ 2.93Å; E524-K796 IonicContact OE2-NZ 2.72Å; E524-K796 PolarHBondContact OE2-NZ 2.85Å; F543-K796 HydrophobicContact CE1-CD 4.18Å; F543-K796 HydrophobicContact CE2-CD 4.48Å; F543-K796 HydrophobicContact CZ-CD 4Å; F543-K796 HydrophobicContact CZ-CG 4.26Å; W791-K796 HydrophobicContact CB-CB 4.07Å; W791-K796 HydrophobicContact CB-CG 4.44Å; W791-K796 HydrophobicContact CD2-CB 4.48Å; W791-K796 HydrophobicContact CE3-CB 4.17Å; W791-K796 HydrophobicContact CG-CB 4.48Å; D792-K796 WeakPolarHBondContact O-CB 3.48Å; D792-K796 PolarHBondContact O-N 2.73Å; P793-K796 PolarHBondContact O-N 3.43Å; K796-R798 VanDerWaalsContact C-N 3.25Å; K796-R798 PolarHBondContact O-N 2.79Å; K796-F799 PolarHBondContact O-N 2.62Å; K796-Y800 HydrophobicContact CG-CG 4.33Å; K796-Y800 WeakPolarHBondContact O-CA 3.2Å; K796-Y800 VanDerWaalsContact O-CB 3.25Å; K796-Y800 WeakPolarHBondContact O-CB 3.17Å; K796-Y800 PolarHBondContact O-N 2.86Å; K796-E802 WeakPolarHBondContact CE-OE1 3.32Å; K796-E802 IonicContact NZ-OE1 2.72Å; K796-E802 PolarHBondContact NZ-OE1 3.1Å |
| 797 | K | 84.5 | Confident | 86.1 | Confident | 172 Ų | 172 | 52 Ų | 52 | 75% | 0.748 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.1 | -28.5 | -178.4 | -176.9 | 179 | 177.2 | -174.3 | 0 | 114.1 | P793 D794 | P793-K797 WeakPolarHBondContact O-CB 3.29Å; P793-K797 PolarHBondContact O-N 3.36Å; D794-K797 PolarHBondContact O-N 2.78Å |
| 798 | R | 82.8 | Confident | 86.2 | Confident | 161 Ų | 161 | 57 Ų | 57 | 61% | 0.608 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -91.3 | -31.2 | 178.9 | -67.9 | 171.1 | -160.2 | -155.5 | 8.5 | 114.2 | D794 M795 K796 | D794-R798 WeakPolarHBondContact O-CB 3.46Å; D794-R798 WeakPolarHBondContact O-CD 3.43Å; D794-R798 WeakPolarHBondContact O-CG 3.32Å; D794-R798 PolarHBondContact O-N 3.17Å; D794-R798 IonicContact OD1-CZ 2.64Å; D794-R798 IonicContact OD1-NE 2.91Å; D794-R798 PolarHBondContact OD1-NE 2.96Å; D794-R798 IonicContact OD1-NH2 3.92Å; D794-R798 PolarHBondContact OD1-NH2 2.98Å; M795-R798 PolarHBondContact O-N 2.77Å; K796-R798 VanDerWaalsContact C-N 3.25Å; K796-R798 PolarHBondContact O-N 2.79Å |
| 799 | F | 85.3 | Confident | 86.4 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 4% | 0.044 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -122.4 | -18.9 | -169.4 | -61.6 | -80 | 0 | 0 | 0 | 115.2 | V573 R574 P576 L582 L756 M795 K796 | V573-F799 CarbonylContact C-O 3.59Å; V573-F799 VanDerWaalsContact CA-O 3.31Å; V573-F799 WeakPolarHBondContact CA-O 3.32Å; R574-F799 HydrophobicContact CB-CD1 4.38Å; R574-F799 PolarHBondContact N-O 3.12Å; R574-F799 WeakPolarHBondContact O-CD1 3.29Å; P576-F799 HydrophobicContact CB-CE1 4.03Å; P576-F799 HydrophobicContact CB-CZ 4.31Å; L582-F799 HydrophobicContact CD2-CE2 4.45Å; L582-F799 HydrophobicContact CD2-CZ 4.38Å; L756-F799 HydrophobicContact CD1-CB 4.47Å; L756-F799 HydrophobicContact CD2-CB 4.42Å; L756-F799 HydrophobicContact CD2-CD1 4.26Å; L756-F799 HydrophobicContact CD2-CD2 3.85Å; L756-F799 HydrophobicContact CD2-CE2 4.16Å; L756-F799 HydrophobicContact CD2-CG 3.91Å; L756-F799 HydrophobicContact CD2-CZ 4.49Å; M795-F799 HydrophobicContact CE-CD2 3.97Å; M795-F799 HydrophobicContact CE-CE2 3.72Å; M795-F799 WeakPolarHBondContact O-CB 3.46Å; M795-F799 WeakPolarHBondContact O-CD2 3.34Å; M795-F799 PolarHBondContact O-N 3Å; M795-F799 HydrophobicContact SD-CD2 4.34Å; M795-F799 HydrophobicContact SD-CE2 4.03Å; K796-F799 PolarHBondContact O-N 2.62Å |
| 800 | Y | 88.4 | Confident | 86.4 | Confident | 17 Ų | 17 | 66.2 Ų | 66.2 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -101.4 | 130.4 | 179.5 | -169.6 | -81.2 | 0 | 0 | 0 | 111.6 | L522 F543 Y572 V573 W791 K796 E802 A805 | L522-Y800 HydrophobicContact CD1-CE2 4.48Å; F543-Y800 HydrophobicContact CD2-CE1 4.39Å; F543-Y800 HydrophobicContact CE2-CD1 4.22Å; F543-Y800 HydrophobicContact CE2-CD2 4.41Å; F543-Y800 AromaticContact CE2-CE1 3.72Å; F543-Y800 HydrophobicContact CE2-CE1 3.72Å; F543-Y800 AromaticContact CE2-CE2 3.92Å; F543-Y800 HydrophobicContact CE2-CE2 3.92Å; F543-Y800 AromaticContact CE2-CZ 3.57Å; F543-Y800 HydrophobicContact CZ-CE2 4.45Å; Y572-Y800 HydrophobicContact CD2-CD2 4.14Å; Y572-Y800 HydrophobicContact CD2-CE1 4.33Å; Y572-Y800 AromaticContact CD2-CE2 3.48Å; Y572-Y800 HydrophobicContact CD2-CE2 3.48Å; Y572-Y800 VanDerWaalsContact CD2-CE2 3.48Å; Y572-Y800 AromaticContact CD2-CZ 3.56Å; Y572-Y800 AromaticContact CE2-CE2 3.53Å; Y572-Y800 HydrophobicContact CE2-CE2 3.53Å; Y572-Y800 AromaticContact CE2-CZ 3.67Å; Y572-Y800 WeakPolarHBondContact CE2-OH 3.41Å; Y572-Y800 CarbonylContact O-C 3.59Å; Y572-Y800 WeakPolarHBondContact O-CA 3.33Å; V573-Y800 HydrophobicContact CG2-CD2 3.76Å; V573-Y800 HydrophobicContact CG2-CE2 4.35Å; W791-Y800 AromaticContact CE2-CD2 3.93Å; W791-Y800 HydrophobicContact CH2-CD2 4.15Å; W791-Y800 AromaticContact CZ2-CD2 3.69Å; W791-Y800 HydrophobicContact CZ2-CD2 3.69Å; W791-Y800 HydrophobicContact CZ2-CE2 4.44Å; K796-Y800 HydrophobicContact CG-CG 4.33Å; K796-Y800 WeakPolarHBondContact O-CA 3.2Å; K796-Y800 VanDerWaalsContact O-CB 3.25Å; K796-Y800 WeakPolarHBondContact O-CB 3.17Å; K796-Y800 PolarHBondContact O-N 2.86Å; Y800-E802 HydrophobicContact CD1-CG 3.76Å; Y800-E802 HydrophobicContact CE1-CB 4.39Å; Y800-E802 HydrophobicContact CE1-CG 3.81Å; Y800-A805 HydrophobicContact CE1-CB 3.9Å; Y800-A805 WeakPolarHBondContact OH-CB 3.42Å |
| 801 | N | 87.5 | Confident | 86.5 | Confident | 81 Ų | 81 | 69.2 Ų | 69.2 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | trans | -109.2 | 91 | -179.6 | -174.2 | -11.3 | 0 | 0 | 0 | 111.3 | Y572 N803 E804 A805 | Y572-N801 PolarHBondContact O-N 3.35Å; N801-N803 VanDerWaalsContact C-N 3.33Å; N801-N803 PolarHBondContact O-N 3.08Å; N801-N803 PolarHBondContact OD1-N 3.32Å; N801-E804 HydrophobicContact CB-CB 4.2Å; N801-E804 PolarHBondContact O-N 3.3Å; N801-E804 PolarHBondContact OD1-N 3.41Å; N801-A805 PolarHBondContact O-N 2.6Å | ||
| 802 | E | 84.7 | Confident | 86.2 | Confident | 89 Ų | 89 | 71.1 Ų | 71.1 | 42% | 0.416 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -53.8 | -47.6 | 180 | -60.3 | 177.2 | 144.5 | 0 | 0 | 112.2 | K796 Y800 E804 A805 E806 | K796-E802 WeakPolarHBondContact CE-OE1 3.32Å; K796-E802 IonicContact NZ-OE1 2.72Å; K796-E802 PolarHBondContact NZ-OE1 3.1Å; Y800-E802 HydrophobicContact CD1-CG 3.76Å; Y800-E802 HydrophobicContact CE1-CB 4.39Å; Y800-E802 HydrophobicContact CE1-CG 3.81Å; E802-E804 PolarHBondContact O-N 2.84Å; E802-E804 VanDerWaalsContact O-N 3.13Å; E802-A805 WeakPolarHBondContact O-CB 3.27Å; E802-A805 PolarHBondContact O-N 3.09Å; E802-A805 VanDerWaalsContact O-N 3.11Å; E802-E806 PolarHBondContact O-N 3.16Å |
| 803 | N | 84.3 | Confident | 86.1 | Confident | 119 Ų | 119 | 68.8 Ų | 68.8 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61 | -21.9 | 178.5 | -74.9 | -84.3 | 0 | 0 | 0 | 114.2 | N801 R807 | N801-N803 VanDerWaalsContact C-N 3.33Å; N801-N803 PolarHBondContact O-N 3.08Å; N801-N803 PolarHBondContact OD1-N 3.32Å; N803-R807 VanDerWaalsContact O-CD 3.24Å; N803-R807 WeakPolarHBondContact O-CD 3.5Å; N803-R807 VanDerWaalsContact O-CG 3.26Å; N803-R807 WeakPolarHBondContact O-CG 3.45Å; N803-R807 PolarHBondContact O-NE 2.99Å |
| 804 | E | 86.4 | Confident | 86 | Confident | 23 Ų | 23 | 69.3 Ų | 69.3 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -93.5 | -41 | 171.5 | -177.3 | 51.4 | -132.9 | 0 | 0 | 111.1 | K442 R571 N801 E802 E806 R807 | K442-E804 WeakPolarHBondContact CE-OE1 3.25Å; K442-E804 IonicContact NZ-OE1 3.17Å; K442-E804 PolarHBondContact NZ-OE1 3.46Å; K442-E804 IonicContact NZ-OE2 2.7Å; K442-E804 PolarHBondContact NZ-OE2 3.44Å; R571-E804 HydrophobicContact CG-CG 4.31Å; R571-E804 PolarHBondContact NH1-O 3.32Å; R571-E804 IonicContact NH1-OE1 2.79Å; R571-E804 PolarHBondContact NH1-OE1 2.84Å; N801-E804 HydrophobicContact CB-CB 4.2Å; N801-E804 PolarHBondContact O-N 3.3Å; N801-E804 PolarHBondContact OD1-N 3.41Å; E802-E804 PolarHBondContact O-N 2.84Å; E802-E804 VanDerWaalsContact O-N 3.13Å; E804-E806 VanDerWaalsContact C-N 3.27Å; E804-E806 PolarHBondContact O-N 2.94Å; E804-R807 PolarHBondContact O-N 3.46Å; E804-R807 VanDerWaalsContact O-N 3.08Å; E804-R807 VanDerWaalsContact OE2-CD 3.22Å; E804-R807 WeakPolarHBondContact OE2-CD 3.36Å; E804-R807 IonicContact OE2-CZ 2.92Å; E804-R807 IonicContact OE2-NE 2.65Å; E804-R807 IonicContact OE2-NH1 2.63Å; E804-R807 PolarHBondContact OE2-NH1 2.96Å |
| 805 | A | 84.1 | Confident | 85.4 | Confident | 4 Ų | 4 | 74.6 Ų | 74.6 | 3% | 0.033 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -50.8 | -45.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R571 Y572 Y800 N801 E802 R807 | R571-A805 PolarHBondContact NH2-O 2.67Å; Y572-A805 HydrophobicContact CD1-CB 4.11Å; Y572-A805 HydrophobicContact CD2-CB 3.48Å; Y572-A805 VanDerWaalsContact CD2-CB 3.48Å; Y572-A805 HydrophobicContact CE1-CB 4.46Å; Y572-A805 HydrophobicContact CE2-CB 3.85Å; Y572-A805 HydrophobicContact CG-CB 3.6Å; Y800-A805 HydrophobicContact CE1-CB 3.9Å; Y800-A805 WeakPolarHBondContact OH-CB 3.42Å; N801-A805 PolarHBondContact O-N 2.6Å; E802-A805 WeakPolarHBondContact O-CB 3.27Å; E802-A805 PolarHBondContact O-N 3.09Å; E802-A805 VanDerWaalsContact O-N 3.11Å; A805-R807 PolarHBondContact O-N 3.06Å |
| 806 | E | 84.1 | Confident | 84.1 | Confident | 107 Ų | 107 | 77.7 Ų | 77.7 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -11.2 | -176.9 | -65.2 | 178.1 | 172.6 | 0 | 0 | 114.7 | E802 E804 Y808 | E802-E806 PolarHBondContact O-N 3.16Å; E804-E806 VanDerWaalsContact C-N 3.27Å; E804-E806 PolarHBondContact O-N 2.94Å; E806-Y808 PolarHBondContact O-N 3.39Å |
| 807 | R | 87.6 | Confident | 82.6 | Confident | 133 Ų | 133 | 81.9 Ų | 81.9 | 50% | 0.502 | 40% | 0.401 | S | S | . | . | trans | -71.3 | 120.4 | 179.4 | -77.9 | 168.2 | -176 | 171.1 | -3.1 | 111.8 | K442 N803 E804 A805 | K442-R807 HydrophobicContact CD-CB 4.11Å; N803-R807 VanDerWaalsContact O-CD 3.24Å; N803-R807 WeakPolarHBondContact O-CD 3.5Å; N803-R807 VanDerWaalsContact O-CG 3.26Å; N803-R807 WeakPolarHBondContact O-CG 3.45Å; N803-R807 PolarHBondContact O-NE 2.99Å; E804-R807 PolarHBondContact O-N 3.46Å; E804-R807 VanDerWaalsContact O-N 3.08Å; E804-R807 VanDerWaalsContact OE2-CD 3.22Å; E804-R807 WeakPolarHBondContact OE2-CD 3.36Å; E804-R807 IonicContact OE2-CZ 2.92Å; E804-R807 IonicContact OE2-NE 2.65Å; E804-R807 IonicContact OE2-NH1 2.63Å; E804-R807 PolarHBondContact OE2-NH1 2.96Å; A805-R807 PolarHBondContact O-N 3.06Å | ||
| 808 | Y | 89.8 | Confident | 81.1 | Confident | 105 Ų | 105 | 80.1 Ų | 80.1 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | trans | -105.3 | 170 | 165.9 | 65.1 | -89.4 | 0 | 0 | 0 | 111.3 | F433 P443 Q445 E806 K810 | F433-Y808 HydrophobicContact CD1-CG 4.42Å; F433-Y808 HydrophobicContact CE1-CD1 4.16Å; F433-Y808 AromaticContact CE1-CD2 3.91Å; F433-Y808 HydrophobicContact CE1-CD2 3.91Å; F433-Y808 HydrophobicContact CE1-CE1 4.41Å; F433-Y808 HydrophobicContact CE1-CE2 4.17Å; F433-Y808 AromaticContact CE1-CG 3.9Å; F433-Y808 HydrophobicContact CE1-CG 3.9Å; P443-Y808 CarbonylContact O-C 3.48Å; P443-Y808 WeakPolarHBondContact O-CA 3.42Å; P443-Y808 VanDerWaalsContact O-CB 3.23Å; P443-Y808 WeakPolarHBondContact O-CB 3.49Å; Q445-Y808 HydrophobicContact CB-CD2 3.99Å; Q445-Y808 HydrophobicContact CB-CE2 4.21Å; E806-Y808 PolarHBondContact O-N 3.39Å; Y808-K810 HydrophobicContact CD2-CG 4.37Å; Y808-K810 HydrophobicContact CE2-CD 4.48Å; Y808-K810 HydrophobicContact CE2-CG 3.91Å | ||
| 809 | V | 92.3 | Very high | 79.5 | Confident | 73 Ų | 73 | 81 Ų | 81 | 44% | 0.442 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 143.3 | 173.2 | 172.5 | 0 | 0 | 0 | 0 | 108.6 | K442 P443 V444 Q445 | K442-V809 HydrophobicContact CB-CG2 3.98Å; K442-V809 HydrophobicContact CD-CG2 4.18Å; K442-V809 HydrophobicContact CG-CG2 4.37Å; P443-V809 PolarHBondContact O-N 3.47Å; V444-V809 CarbonylContact C-O 3.51Å; V444-V809 VanDerWaalsContact CA-O 3.31Å; V444-V809 WeakPolarHBondContact CA-O 3.49Å; Q445-V809 PolarHBondContact N-O 3.15Å |
| 810 | K | 90.3 | Very high | 78.2 | Confident | 122 Ų | 122 | 85.7 Ų | 85.7 | 53% | 0.53 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 128 | 173.1 | -67.2 | -165.6 | 177.7 | -162.9 | 0 | 110 | Q445 Y808 M814 | Q445-K810 HydrophobicContact CB-CG 4.47Å; Y808-K810 HydrophobicContact CD2-CG 4.37Å; Y808-K810 HydrophobicContact CE2-CD 4.48Å; Y808-K810 HydrophobicContact CE2-CG 3.91Å; K810-M814 HydrophobicContact CB-CB 4.06Å; K810-M814 HydrophobicContact CB-CG 3.92Å; K810-M814 HydrophobicContact CD-CB 4.4Å; K810-M814 HydrophobicContact CG-CG 4.37Å |
| 811 | H | 90.7 | Very high | 77.3 | Confident | 64 Ų | 64 | 89.3 Ų | 89.3 | 30% | 0.296 | 45% | 0.452 | S | S | . | . | trans | -69.9 | 157.4 | 172.6 | -175.2 | -110.5 | 0 | 0 | 0 | 110.8 | V444 Q445 H446 M466 S813 M814 | V444-H811 HydrophobicContact CG1-CB 3.85Å; Q445-H811 VanDerWaalsContact O-CB 3.3Å; Q445-H811 WeakPolarHBondContact O-CB 3.49Å; Q445-H811 PolarHBondContact O-N 3.2Å; H446-H811 AromaticContact CE1-CD2 3.65Å; H446-H811 AromaticContact CE1-CG 3.56Å; H446-H811 AromaticContact CE1-ND1 3.94Å; H446-H811 AromaticContact ND1-CG 3.61Å; H446-H811 AromaticContact ND1-ND1 3.66Å; M466-H811 VanDerWaalsContact CE-CE1 3.49Å; M466-H811 WeakPolarHBondContact CE-CE1 3.44Å; M466-H811 WeakPolarHBondContact CE-ND1 3.47Å; H811-S813 PolarHBondContact ND1-N 3.3Å; H811-S813 PolarHBondContact ND1-OG 2.64Å; H811-S813 PolarHBondContact O-N 3.06Å; H811-M814 WeakPolarHBondContact O-CB 3.4Å; H811-M814 VanDerWaalsContact O-CG 3.32Å; H811-M814 WeakPolarHBondContact O-CG 3.37Å; H811-M814 PolarHBondContact O-N 3.37Å | ||
| 812 | G | 84.4 | Confident | 77.1 | Confident | 41 Ų | 41 | 90 Ų | 90 | 42% | 0.423 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -58.8 | -21.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | M814 E815 | G812-M814 PolarHBondContact O-N 3.3Å; G812-E815 WeakPolarHBondContact O-CB 3.47Å; G812-E815 PolarHBondContact O-N 3.22Å; G812-E815 VanDerWaalsContact O-N 3.14Å |
| 813 | S | 84.6 | Confident | 77.4 | Confident | 20 Ų | 20 | 86.3 Ų | 86.3 | 14% | 0.14 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -68.9 | -15.2 | 172.2 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | R447 M466 H811 | R447-S813 PolarHBondContact N-OG 2.68Å; R447-S813 WeakPolarHBondContact O-CB 3.25Å; R447-S813 PolarHBondContact O-OG 2.97Å; M466-S813 WeakPolarHBondContact CE-OG 3.22Å; H811-S813 PolarHBondContact ND1-N 3.3Å; H811-S813 PolarHBondContact ND1-OG 2.64Å; H811-S813 PolarHBondContact O-N 3.06Å |
| 814 | M | 81.8 | Confident | 77.8 | Confident | 22 Ų | 22 | 84.3 Ų | 84.3 | 11% | 0.108 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -75.7 | -24.3 | 171.3 | -56.5 | -61.3 | -57.2 | 0 | 0 | 112.5 | E431 Q445 R447 K810 H811 G812 | E431-M814 HydrophobicContact CG-CE 4.48Å; E431-M814 WeakPolarHBondContact OE2-CE 3.26Å; Q445-M814 HydrophobicContact CB-SD 4.41Å; Q445-M814 VanDerWaalsContact CD-CE 3.41Å; Q445-M814 HydrophobicContact CG-CE 3.97Å; Q445-M814 HydrophobicContact CG-SD 3.95Å; Q445-M814 VanDerWaalsContact O-CG 3.29Å; Q445-M814 WeakPolarHBondContact O-CG 3.46Å; R447-M814 HydrophobicContact CB-SD 3.69Å; R447-M814 PolarHBondContact N-SD 3.29Å; R447-M814 VanDerWaalsContact N-SD 3.38Å; R447-M814 PolarHBondContact NH1-O 3.44Å; K810-M814 HydrophobicContact CB-CB 4.06Å; K810-M814 HydrophobicContact CB-CG 3.92Å; K810-M814 HydrophobicContact CD-CB 4.4Å; K810-M814 HydrophobicContact CG-CG 4.37Å; H811-M814 WeakPolarHBondContact O-CB 3.4Å; H811-M814 VanDerWaalsContact O-CG 3.32Å; H811-M814 WeakPolarHBondContact O-CG 3.37Å; H811-M814 PolarHBondContact O-N 3.37Å; G812-M814 PolarHBondContact O-N 3.3Å |
| 815 | E | 68.7 | Low | 78.1 | Confident | 169 Ų | 169 | 83.2 Ų | 83.2 | 79% | 0.79 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -23.8 | -178 | -58.6 | -170 | 154.7 | 0 | 0 | 112.8 | G812 P817 | G812-E815 WeakPolarHBondContact O-CB 3.47Å; G812-E815 PolarHBondContact O-N 3.22Å; G812-E815 VanDerWaalsContact O-N 3.14Å; E815-P817 VanDerWaalsContact O-CD 3.31Å; E815-P817 WeakPolarHBondContact O-CD 3.29Å |
| 816 | V | 57.1 | Low | 78.4 | Confident | 86 Ų | 86 | 85.6 Ų | 85.6 | 52% | 0.521 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -66.3 | 119 | 171.3 | -173.4 | 0 | 0 | 0 | 0 | 107.8 | R447 | R447-V816 PolarHBondContact NH1-O 3.09Š|
| 817 | P | 55.2 | Low | 78.7 | Confident | 102 Ų | 102 | 84.7 Ų | 84.7 | 66% | 0.662 | 43% | 0.431 | S | S | * | . | trans | -57.7 | 153.4 | 174.4 | -22.6 | 33.9 | 0 | 0 | 0 | 110.6 | E815 Q819 | E815-P817 VanDerWaalsContact O-CD 3.31Å; E815-P817 WeakPolarHBondContact O-CD 3.29Å; P817-Q819 PolarHBondContact O-N 3.31Å | ||
| 818 | Q | 53.3 | Low | 78.9 | Confident | 134 Ų | 134 | 78.3 Ų | 78.3 | 63% | 0.626 | 41% | 0.407 | S | S | * | . | trans | -56 | 112.8 | 160.9 | -77.9 | -177.9 | -15.8 | 0 | 0 | 107.6 | Q820 | Q818-Q820 PolarHBondContact O-N 3.46Š| ||
| 819 | Q | 49.4 | Very low | 79 | Confident | 179 Ų | 179 | 73.4 Ų | 73.4 | 84% | 0.836 | 39% | 0.388 | S | S | * | . | trans | -69 | 87.2 | 165.4 | -77 | -172.3 | -42.7 | 0 | 0 | 106.9 | P817 T821 | P817-Q819 PolarHBondContact O-N 3.31Å; Q819-T821 PolarHBondContact O-N 2.94Å | ||
| 820 | Q | 57.3 | Low | 78.9 | Confident | 109 Ų | 109 | 74.6 Ų | 74.6 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | trans | -53.8 | 110.7 | 172.2 | -72.2 | -177 | -50.6 | 0 | 0 | 107.3 | Q818 T822 I888 | Q818-Q820 PolarHBondContact O-N 3.46Å; Q820-T822 PolarHBondContact O-N 2.87Å; Q820-I888 HydrophobicContact CB-CD1 3.94Å; Q820-I888 HydrophobicContact CB-CG1 4.5Å | ||
| 821 | T | 69.1 | Low | 78.8 | Confident | 94 Ų | 94 | 71.8 Ų | 71.8 | 58% | 0.577 | 38% | 0.379 | S | S | * | . | trans | -68.6 | 110.8 | -171.6 | -21.5 | 0 | 0 | 0 | 0 | 107.5 | Q819 T887 I888 | Q819-T821 PolarHBondContact O-N 2.94Å; T821-T887 WeakPolarHBondContact O-CG2 3.41Å; T821-I888 PolarHBondContact O-N 3.18Å | ||
| 822 | T | 83.6 | Confident | 78.9 | Confident | 96 Ų | 96 | 70.2 Ų | 70.2 | 59% | 0.589 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 129.4 | 174.8 | 42 | 0 | 0 | 0 | 0 | 109.2 | Q820 I888 | Q820-T822 PolarHBondContact O-N 2.87Å; T822-I888 WeakPolarHBondContact CA-O 3.21Å; T822-I888 HydrophobicContact CG2-CB 3.96Å; T822-I888 HydrophobicContact CG2-CG2 3.98Å |
| 823 | V | 90.9 | Very high | 79.3 | Confident | 11 Ų | 11 | 69.4 Ų | 69.4 | 7% | 0.067 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 134 | 179.3 | 173.8 | 0 | 0 | 0 | 0 | 107.8 | P423 Q827 T887 I888 V889 D890 | P423-V823 HydrophobicContact CG-CG1 3.76Å; P423-V823 HydrophobicContact CG-CG2 4.25Å; V823-Q827 HydrophobicContact CG1-CB 4.05Å; V823-T887 HydrophobicContact CB-CG2 4.21Å; V823-T887 HydrophobicContact CG2-CG2 3.65Å; V823-I888 PolarHBondContact N-O 3.2Å; V823-V889 CarbonylContact O-C 3.54Å; V823-V889 VanDerWaalsContact O-CA 3.31Å; V823-V889 WeakPolarHBondContact O-CA 3.44Å; V823-D890 PolarHBondContact O-N 3.03Å |
| 824 | Q | 92.4 | Very high | 79.6 | Confident | 77 Ų | 77 | 71.9 Ų | 71.9 | 36% | 0.36 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 139.1 | 175.4 | -67.8 | -66 | -37.3 | 0 | 0 | 110 | Q826 Q827 C828 D890 | Q824-Q826 PolarHBondContact O-N 3.05Å; Q824-Q826 VanDerWaalsContact O-N 3.1Å; Q824-Q827 HydrophobicContact CB-CG 4.17Å; Q824-Q827 WeakPolarHBondContact O-CB 3.42Å; Q824-Q827 PolarHBondContact O-N 3.2Å; Q824-C828 PolarHBondContact O-N 3.04Å; Q824-D890 PolarHBondContact NE2-OD2 2.77Å |
| 825 | L | 93.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -53.2 | -35.4 | 177.8 | 179.7 | 62.3 | 0 | 0 | 0 | 112.3 | Q827 C828 I829 I870 L872 V889 D890 F891 L896 L969 Y971 | L825-Q827 VanDerWaalsContact C-N 3.28Å; L825-Q827 PolarHBondContact O-N 3.12Å; L825-C828 WeakPolarHBondContact O-CB 3.45Å; L825-C828 PolarHBondContact O-N 3.08Å; L825-C828 VanDerWaalsContact O-N 3.11Å; L825-I829 HydrophobicContact CG-CD1 4.02Å; L825-I829 WeakPolarHBondContact O-CG1 3.38Å; L825-I829 PolarHBondContact O-N 2.91Å; L825-I870 HydrophobicContact CD1-CG2 4.32Å; L825-I870 HydrophobicContact CD2-CD1 4.2Å; L825-L872 HydrophobicContact CD1-CD2 3.93Å; L825-V889 HydrophobicContact CB-CG1 4.05Å; L825-V889 HydrophobicContact CD1-CG1 4.14Å; L825-D890 WeakPolarHBondContact CB-O 3.3Å; L825-D890 PolarHBondContact N-O 2.8Å; L825-F891 HydrophobicContact CB-CB 4.04Å; L825-F891 HydrophobicContact CD2-CB 3.81Å; L825-F891 HydrophobicContact CG-CB 4.44Å; L825-L896 HydrophobicContact CD2-CD2 3.92Å; L825-L969 HydrophobicContact CD1-CD1 4.24Å; L825-L969 HydrophobicContact CD2-CD1 4.02Å; L825-Y971 HydrophobicContact CD2-CE2 4.23Å |
| 826 | Q | 90 | Very high | 81.1 | Confident | 53 Ų | 53 | 71.4 Ų | 71.4 | 25% | 0.248 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56.4 | -38.7 | 173.7 | -69.6 | 79.4 | -0.6 | 0 | 0 | 112.2 | Q824 C828 I829 E830 F901 | Q824-Q826 PolarHBondContact O-N 3.05Å; Q824-Q826 VanDerWaalsContact O-N 3.1Å; Q826-C828 VanDerWaalsContact C-N 3.33Å; Q826-C828 PolarHBondContact O-N 2.85Å; Q826-I829 PolarHBondContact O-N 2.82Å; Q826-E830 WeakPolarHBondContact O-CB 3.43Å; Q826-E830 WeakPolarHBondContact O-CG 3.37Å; Q826-E830 PolarHBondContact O-N 2.74Å; Q826-F901 HydrophobicContact CB-CE2 4.38Å; Q826-F901 HydrophobicContact CB-CZ 4.04Å; Q826-F901 HydrophobicContact CG-CE2 4.13Å; Q826-F901 HydrophobicContact CG-CZ 4.24Å |
| 827 | Q | 90.2 | Very high | 82.8 | Confident | 88 Ų | 88 | 71.7 Ų | 71.7 | 41% | 0.411 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.5 | -30.9 | 177.7 | -64.5 | 169.4 | -36 | 0 | 0 | 112.1 | V823 Q824 L825 L831 | V823-Q827 HydrophobicContact CG1-CB 4.05Å; Q824-Q827 HydrophobicContact CB-CG 4.17Å; Q824-Q827 WeakPolarHBondContact O-CB 3.42Å; Q824-Q827 PolarHBondContact O-N 3.2Å; L825-Q827 VanDerWaalsContact C-N 3.28Å; L825-Q827 PolarHBondContact O-N 3.12Å; Q827-L831 VanDerWaalsContact O-CB 3.28Å; Q827-L831 WeakPolarHBondContact O-CB 3.42Å; Q827-L831 PolarHBondContact O-N 2.85Å |
| 828 | C | 92.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70.8 | -35.3 | 172.3 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | V420 P421 Q824 L825 Q826 F832 | V420-C828 HydrophobicContact CB-CB 4.13Å; V420-C828 HydrophobicContact CG2-CB 3.87Å; P421-C828 WeakPolarHBondContact O-CB 3.44Å; Q824-C828 PolarHBondContact O-N 3.04Å; L825-C828 WeakPolarHBondContact O-CB 3.45Å; L825-C828 PolarHBondContact O-N 3.08Å; L825-C828 VanDerWaalsContact O-N 3.11Å; Q826-C828 VanDerWaalsContact C-N 3.33Å; Q826-C828 PolarHBondContact O-N 2.85Å; C828-F832 WeakPolarHBondContact O-CB 3.38Å; C828-F832 PolarHBondContact O-N 2.75Å |
| 829 | I | 90.9 | Very high | 85.9 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.2 | -44.1 | 174.6 | -64.7 | 159.4 | 0 | 0 | 0 | 110.6 | V420 L825 Q826 L831 F832 T833 L861 F898 F901 | V420-I829 HydrophobicContact CG1-CG1 4.38Å; L825-I829 HydrophobicContact CG-CD1 4.02Å; L825-I829 WeakPolarHBondContact O-CG1 3.38Å; L825-I829 PolarHBondContact O-N 2.91Å; Q826-I829 PolarHBondContact O-N 2.82Å; I829-L831 VanDerWaalsContact C-N 3.34Å; I829-L831 PolarHBondContact O-N 2.92Å; I829-F832 WeakPolarHBondContact O-CB 3.19Å; I829-F832 PolarHBondContact O-N 3.02Å; I829-T833 PolarHBondContact O-N 3.39Å; I829-T833 PolarHBondContact O-OG1 2.91Å; I829-L861 HydrophobicContact CG2-CD1 4.28Å; I829-F898 HydrophobicContact CD1-CE1 3.68Å; I829-F898 HydrophobicContact CD1-CZ 3.86Å; I829-F898 HydrophobicContact CG1-CE1 4.42Å; I829-F898 HydrophobicContact CG2-CE1 4.36Å; I829-F901 HydrophobicContact CG2-CB 4.43Å; I829-F901 HydrophobicContact CG2-CD1 4.1Å; I829-F901 HydrophobicContact CG2-CD2 3.98Å; I829-F901 HydrophobicContact CG2-CE1 4.41Å; I829-F901 HydrophobicContact CG2-CE2 4.28Å; I829-F901 HydrophobicContact CG2-CG 3.89Å; I829-F901 HydrophobicContact CG2-CZ 4.5Å |
| 830 | E | 89.9 | Confident | 87.5 | Confident | 98 Ų | 98 | 66.9 Ų | 66.9 | 46% | 0.458 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -52.9 | -53.5 | 170.8 | -75.9 | 170.5 | -169.5 | 0 | 0 | 110 | Q826 F832 T833 T834 F901 | Q826-E830 WeakPolarHBondContact O-CB 3.43Å; Q826-E830 WeakPolarHBondContact O-CG 3.37Å; Q826-E830 PolarHBondContact O-N 2.74Å; E830-F832 VanDerWaalsContact C-N 3.34Å; E830-F832 PolarHBondContact O-N 3.4Å; E830-T833 CarbonylContact O-C 3.55Å; E830-T833 WeakPolarHBondContact O-CA 3.24Å; E830-T833 PolarHBondContact O-N 3.06Å; E830-T833 PolarHBondContact O-OG1 2.98Å; E830-T834 WeakPolarHBondContact O-CG2 3.35Å; E830-T834 PolarHBondContact O-N 2.57Å; E830-T834 VanDerWaalsContact O-N 3.11Å; E830-F901 HydrophobicContact CG-CE1 3.63Å; E830-F901 HydrophobicContact CG-CZ 4.2Å |
| 831 | L | 90.2 | Very high | 88.9 | Confident | 63 Ų | 63 | 67.8 Ų | 67.8 | 33% | 0.33 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.7 | -41.6 | 179 | -172 | 62.1 | 0 | 0 | 0 | 112.2 | P421 P423 Q827 I829 T833 T834 | P421-L831 HydrophobicContact CB-CD2 4.03Å; P421-L831 HydrophobicContact CB-CG 4.4Å; P421-L831 HydrophobicContact CG-CB 4.13Å; P421-L831 HydrophobicContact CG-CD2 3.82Å; P421-L831 HydrophobicContact CG-CG 3.69Å; P423-L831 HydrophobicContact CG-CD2 4.3Å; Q827-L831 VanDerWaalsContact O-CB 3.28Å; Q827-L831 WeakPolarHBondContact O-CB 3.42Å; Q827-L831 PolarHBondContact O-N 2.85Å; I829-L831 VanDerWaalsContact C-N 3.34Å; I829-L831 PolarHBondContact O-N 2.92Å; L831-T833 PolarHBondContact O-N 3.03Å; L831-T834 PolarHBondContact O-N 2.83Å; L831-T834 VanDerWaalsContact O-N 3.15Å; L831-T834 PolarHBondContact O-OG1 2.94Å |
| 832 | F | 91.5 | Very high | 89.8 | Confident | 31 Ų | 31 | 68.2 Ų | 68.2 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.9 | -31.8 | 172.8 | -178.5 | -94.9 | 0 | 0 | 0 | 113.3 | F396 L418 V420 C828 I829 E830 L859 | F396-F832 HydrophobicContact CD1-CE1 4.34Å; F396-F832 AromaticContact CE1-CE1 3.56Å; F396-F832 HydrophobicContact CE1-CE1 3.56Å; F396-F832 AromaticContact CE1-CZ 3.77Å; F396-F832 HydrophobicContact CE1-CZ 3.77Å; F396-F832 HydrophobicContact CE2-CZ 4.35Å; F396-F832 AromaticContact CZ-CE1 3.88Å; F396-F832 HydrophobicContact CZ-CE1 3.88Å; F396-F832 AromaticContact CZ-CZ 3.56Å; F396-F832 HydrophobicContact CZ-CZ 3.56Å; L418-F832 HydrophobicContact CD2-CE1 4.44Å; V420-F832 HydrophobicContact CB-CB 4.45Å; V420-F832 HydrophobicContact CG1-CB 4.08Å; V420-F832 HydrophobicContact CG1-CD2 4.34Å; V420-F832 HydrophobicContact CG1-CG 4.23Å; C828-F832 WeakPolarHBondContact O-CB 3.38Å; C828-F832 PolarHBondContact O-N 2.75Å; I829-F832 WeakPolarHBondContact O-CB 3.19Å; I829-F832 PolarHBondContact O-N 3.02Å; E830-F832 VanDerWaalsContact C-N 3.34Å; E830-F832 PolarHBondContact O-N 3.4Å; F832-L859 HydrophobicContact CE1-CB 4.11Å; F832-L859 HydrophobicContact CE1-CD1 4.06Å; F832-L859 HydrophobicContact CE2-CD1 4.09Å; F832-L859 HydrophobicContact CZ-CB 4.48Å; F832-L859 HydrophobicContact CZ-CD1 3.57Å |
| 833 | T | 92.1 | Very high | 90.2 | Very high | 24 Ų | 24 | 65.9 Ų | 65.9 | 15% | 0.147 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 4.4 | 177.9 | 64.3 | 0 | 0 | 0 | 0 | 114.7 | I829 E830 L831 K858 L859 | I829-T833 PolarHBondContact O-N 3.39Å; I829-T833 PolarHBondContact O-OG1 2.91Å; E830-T833 CarbonylContact O-C 3.55Å; E830-T833 WeakPolarHBondContact O-CA 3.24Å; E830-T833 PolarHBondContact O-N 3.06Å; E830-T833 PolarHBondContact O-OG1 2.98Å; L831-T833 PolarHBondContact O-N 3.03Å; T833-K858 WeakPolarHBondContact O-CE 3.46Å; T833-L859 VanDerWaalsContact CA-O 3.28Å; T833-L859 WeakPolarHBondContact CA-O 3.39Å; T833-L859 WeakPolarHBondContact CB-O 3.25Å |
| 834 | T | 92 | Very high | 90.3 | Very high | 72 Ų | 72 | 67.4 Ų | 67.4 | 44% | 0.442 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -71.4 | 167.4 | 173.4 | 60.4 | 0 | 0 | 0 | 0 | 112.1 | E830 L831 E836 | E830-T834 WeakPolarHBondContact O-CG2 3.35Å; E830-T834 PolarHBondContact O-N 2.57Å; E830-T834 VanDerWaalsContact O-N 3.11Å; L831-T834 PolarHBondContact O-N 2.83Å; L831-T834 VanDerWaalsContact O-N 3.15Å; L831-T834 PolarHBondContact O-OG1 2.94Å; T834-E836 PolarHBondContact O-N 2.79Å |
| 835 | V | 91.9 | Very high | 90.4 | Very high | 91 Ų | 91 | 69 Ų | 69 | 55% | 0.552 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 114.4 | 172.9 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | T856 K857 K858 | V835-T856 HydrophobicContact CG1-CG2 4.25Å; V835-K857 CarbonylContact C-O 3.48Å; V835-K857 WeakPolarHBondContact CA-O 3.29Å; V835-K858 HydrophobicContact CG2-CB 4.19Å; V835-K858 HydrophobicContact CG2-CD 3.93Å; V835-K858 HydrophobicContact CG2-CG 4.12Å |
| 836 | E | 90.9 | Very high | 90.5 | Very high | 90 Ų | 90 | 69 Ų | 69 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 157.4 | 171.8 | 64.6 | -173.5 | -179.7 | 0 | 0 | 110.7 | T834 T856 K857 | T834-E836 PolarHBondContact O-N 2.79Å; E836-T856 CarbonylContact O-C 3.56Å; E836-T856 VanDerWaalsContact O-CA 3.24Å; E836-T856 WeakPolarHBondContact O-CA 3.2Å; E836-K857 HydrophobicContact CG-CB 3.98Å; E836-K857 HydrophobicContact CG-CG 4.48Å; E836-K857 PolarHBondContact N-O 3.35Å; E836-K857 PolarHBondContact O-N 3.39Å; E836-K857 WeakPolarHBondContact OE1-CD 3.39Å; E836-K857 WeakPolarHBondContact OE1-CE 3.43Å; E836-K857 IonicContact OE1-NZ 3.84Å; E836-K857 PolarHBondContact OE1-NZ 3.03Å |
| 837 | T | 91.1 | Very high | 90.6 | Very high | 93 Ų | 93 | 69.6 Ų | 69.6 | 57% | 0.571 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 135.4 | 164.8 | -55.9 | 0 | 0 | 0 | 0 | 107.7 | L854 | T837-L854 HydrophobicContact CG2-CB 4.28Å |
| 838 | L | 89.6 | Confident | 90.8 | Very high | 29 Ų | 29 | 69.8 Ų | 69.8 | 15% | 0.152 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 143.7 | 177 | -67.5 | 176.6 | 0 | 0 | 0 | 112.1 | L400 W844 A855 K857 | L400-L838 HydrophobicContact CD2-CD1 4.09Å; L838-W844 HydrophobicContact CD1-CB 3.55Å; L838-A855 HydrophobicContact CD1-CB 4.01Å; L838-A855 WeakPolarHBondContact CG-O 3.19Å; L838-A855 PolarHBondContact N-O 3.34Å; L838-K857 HydrophobicContact CD2-CB 4.19Å; L838-K857 HydrophobicContact CD2-CD 3.87Å; L838-K857 HydrophobicContact CG-CB 4.45Å |
| 839 | E | 84.9 | Confident | 90.8 | Very high | 126 Ų | 126 | 71.7 Ų | 71.7 | 59% | 0.589 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 156.6 | 177.3 | -61 | 172 | 151.4 | 0 | 0 | 111.7 | E841 N842 | E839-E841 PolarHBondContact O-N 2.68Å; E839-N842 CarbonylContact O-C 3.22Å; E839-N842 PolarHBondContact O-N 3.06Å; E839-N842 PolarHBondContact OE2-ND2 3.11Å |
| 840 | E | 83.3 | Confident | 91.1 | Very high | 159 Ų | 159 | 79.3 Ų | 79.3 | 74% | 0.743 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -29.6 | 179 | -65.3 | -171.7 | 173.9 | 0 | 0 | 112.3 | L854 | E840-L854 HydrophobicContact CG-CD1 4.21Å; E840-L854 HydrophobicContact CG-CD2 4.38Å |
| 841 | E | 85.8 | Confident | 91.3 | Very high | 128 Ų | 128 | 78.9 Ų | 78.9 | 60% | 0.598 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -19.1 | 174 | -65.9 | 86.1 | 168.2 | 0 | 0 | 113.9 | E839 P843 K879 | E839-E841 PolarHBondContact O-N 2.68Å; E841-P843 VanDerWaalsContact C-CD 3.5Å; E841-K879 IonicContact OE1-NZ 3.99Å |
| 842 | N | 87.8 | Confident | 91.5 | Very high | 103 Ų | 103 | 81.3 Ų | 81.3 | 55% | 0.551 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -131.4 | 54 | -174.4 | -70.1 | -66.9 | 0 | 0 | 0 | 114.2 | E839 | E839-N842 CarbonylContact O-C 3.22Å; E839-N842 PolarHBondContact O-N 3.06Å; E839-N842 PolarHBondContact OE2-ND2 3.11Å |
| 843 | P | 92.7 | Very high | 91.6 | Very high | 47 Ų | 47 | 80.6 Ų | 80.6 | 31% | 0.305 | 41% | 0.41 | S | S | . | . | trans | -79.4 | 146.8 | -174.4 | 35 | -38.1 | 0 | 0 | 0 | 113.3 | E841 H852 L854 | E841-P843 VanDerWaalsContact C-CD 3.5Å; P843-H852 HydrophobicContact CB-CB 4.01Å; P843-H852 HydrophobicContact CG-CB 3.88Å; P843-L854 HydrophobicContact CB-CD2 4.17Å | ||
| 844 | W | 94 | Very high | 91.7 | Very high | 43 Ų | 43 | 82.7 Ų | 82.7 | 16% | 0.163 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 133.2 | -179.9 | 170.3 | 75 | 0 | 0 | 0 | 112.6 | L400 C402 L838 C846 H852 Q853 A855 | L400-W844 HydrophobicContact CD1-CG 4.26Å; L400-W844 HydrophobicContact CD2-CG 4.48Å; C402-W844 HydrophobicContact CB-CZ3 3.99Å; L838-W844 HydrophobicContact CD1-CB 3.55Å; W844-C846 HydrophobicContact CE3-CB 3.83Å; W844-C846 HydrophobicContact CH2-CB 4.01Å; W844-C846 HydrophobicContact CZ3-CB 3.41Å; W844-C846 VanDerWaalsContact CZ3-CB 3.41Å; W844-C846 PolarHBondContact O-N 2.73Å; W844-H852 CarbonylContact O-C 3.5Å; W844-H852 WeakPolarHBondContact O-CA 3.32Å; W844-Q853 PolarHBondContact N-O 3.4Å; W844-Q853 PolarHBondContact O-N 2.66Å; W844-A855 HydrophobicContact CB-CB 4.02Å; W844-A855 HydrophobicContact CD2-CB 4.35Å; W844-A855 HydrophobicContact CE3-CB 3.87Å; W844-A855 HydrophobicContact CG-CB 4.48Å |
| 845 | Y | 94.4 | Very high | 91.7 | Very high | 109 Ų | 109 | 79.3 Ų | 79.3 | 43% | 0.427 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 110.8 | 173.2 | -173.4 | -93.5 | 0 | 0 | 0 | 111.4 | P847 K850 H852 | Y845-P847 WeakPolarHBondContact O-CD 3.27Å; Y845-K850 VanDerWaalsContact OH-CA 3.31Å; Y845-K850 WeakPolarHBondContact OH-CA 3.21Å; Y845-K850 PolarHBondContact OH-O 3.03Å; Y845-H852 AromaticContact CD2-NE2 3.8Å |
| 846 | C | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 116.3 | 176.8 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | C402 W844 V848 C849 K850 K851 Q853 | C402-C846 VanDerWaalsContact SG-SG 3.64Å; W844-C846 HydrophobicContact CE3-CB 3.83Å; W844-C846 HydrophobicContact CH2-CB 4.01Å; W844-C846 HydrophobicContact CZ3-CB 3.41Å; W844-C846 VanDerWaalsContact CZ3-CB 3.41Å; W844-C846 PolarHBondContact O-N 2.73Å; C846-V848 PolarHBondContact O-N 2.81Å; C846-C849 HydrophobicContact CB-CB 4Å; C846-C849 PolarHBondContact O-N 3.15Å; C846-C849 PolarHBondContact SG-N 3.35Å; C846-C849 VanDerWaalsContact SG-N 3.45Å; C846-C849 VanDerWaalsContact SG-SG 3.67Å; C846-K850 WeakPolarHBondContact O-CA 3.49Å; C846-K850 PolarHBondContact O-N 3.41Å; C846-K851 PolarHBondContact N-O 2.89Å; C846-Q853 HydrophobicContact CB-CG 3.7Å |
| 847 | P | 92.4 | Very high | 92.1 | Very high | 67 Ų | 67 | 75.6 Ų | 75.6 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19.6 | -177.5 | 27.7 | -35.3 | 0 | 0 | 0 | 113.8 | K407 Y845 | K407-P847 HydrophobicContact CD-CG 4.27Å; Y845-P847 WeakPolarHBondContact O-CD 3.27Å |
| 848 | V | 93.8 | Very high | 92.3 | Very high | 92 Ų | 92 | 74.2 Ų | 74.2 | 56% | 0.558 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -45.8 | 176.9 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | C405 K407 C846 K850 | C405-V848 HydrophobicContact CB-CG1 4.07Å; K407-V848 HydrophobicContact CB-CG2 4.25Å; K407-V848 HydrophobicContact CD-CG2 3.72Å; C846-V848 PolarHBondContact O-N 2.81Å; V848-K850 VanDerWaalsContact C-N 3.31Å |
| 849 | C | 94.2 | Very high | 92.5 | Very high | 39 Ų | 39 | 73.7 Ų | 73.7 | 26% | 0.264 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -16.4 | 176.4 | -59.7 | 0 | 0 | 0 | 0 | 113.2 | C846 K851 Q853 | C846-C849 HydrophobicContact CB-CB 4Å; C846-C849 PolarHBondContact O-N 3.15Å; C846-C849 PolarHBondContact SG-N 3.35Å; C846-C849 VanDerWaalsContact SG-N 3.45Å; C846-C849 VanDerWaalsContact SG-SG 3.67Å; C849-K851 HydrophobicContact CB-CG 4Å; C849-K851 PolarHBondContact O-N 3.01Å; C849-Q853 PolarHBondContact SG-NE2 2.92Å |
| 850 | K | 95.4 | Very high | 92.9 | Very high | 161 Ų | 161 | 68.5 Ų | 68.5 | 70% | 0.7 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 32.1 | -173.8 | -61.7 | -168 | 174 | -167.5 | 0 | 114.8 | Y845 C846 V848 | Y845-K850 VanDerWaalsContact OH-CA 3.31Å; Y845-K850 WeakPolarHBondContact OH-CA 3.21Å; Y845-K850 PolarHBondContact OH-O 3.03Å; C846-K850 WeakPolarHBondContact O-CA 3.49Å; C846-K850 PolarHBondContact O-N 3.41Å; V848-K850 VanDerWaalsContact C-N 3.31Å |
| 851 | K | 94.6 | Very high | 93.4 | Very high | 89 Ų | 89 | 60.9 Ų | 60.9 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 162 | 176.5 | 67 | 174.2 | -173.2 | 176.8 | 0 | 111.3 | E404 C846 C849 | E404-K851 IonicContact OE1-NZ 2.74Å; E404-K851 PolarHBondContact OE1-NZ 2.71Å; E404-K851 WeakPolarHBondContact OE2-CE 3.18Å; E404-K851 IonicContact OE2-NZ 2.75Å; E404-K851 PolarHBondContact OE2-NZ 2.66Å; C846-K851 PolarHBondContact N-O 2.89Å; C849-K851 HydrophobicContact CB-CG 4Å; C849-K851 PolarHBondContact O-N 3.01Å |
| 852 | H | 95.2 | Very high | 93.7 | Very high | 115 Ų | 115 | 55.9 Ų | 55.9 | 53% | 0.532 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 142.8 | 168.4 | -65.6 | 109.1 | 0 | 0 | 0 | 111.3 | P843 W844 Y845 | P843-H852 HydrophobicContact CB-CB 4.01Å; P843-H852 HydrophobicContact CG-CB 3.88Å; W844-H852 CarbonylContact O-C 3.5Å; W844-H852 WeakPolarHBondContact O-CA 3.32Å; Y845-H852 AromaticContact CD2-NE2 3.8Å |
| 853 | Q | 93.1 | Very high | 93.9 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 146.2 | -174.8 | -58.8 | -77.5 | 28.1 | 0 | 0 | 110.1 | P403 E404 W844 C846 C849 A855 | P403-Q853 HydrophobicContact CG-CB 4.39Å; E404-Q853 PolarHBondContact OE2-NE2 3.4Å; W844-Q853 PolarHBondContact N-O 3.4Å; W844-Q853 PolarHBondContact O-N 2.66Å; C846-Q853 HydrophobicContact CB-CG 3.7Å; C849-Q853 PolarHBondContact SG-NE2 2.92Å; Q853-A855 PolarHBondContact O-N 2.98Å |
| 854 | L | 93.7 | Very high | 93.9 | Very high | 69 Ų | 69 | 51.3 Ų | 51.3 | 36% | 0.361 | 25% | 0.254 | S | S | . | . | trans | -76 | 75.1 | 164.8 | -52 | -178.1 | 0 | 0 | 0 | 108.8 | P403 T837 E840 P843 | P403-L854 WeakPolarHBondContact CG-O 3.27Å; T837-L854 HydrophobicContact CG2-CB 4.28Å; E840-L854 HydrophobicContact CG-CD1 4.21Å; E840-L854 HydrophobicContact CG-CD2 4.38Å; P843-L854 HydrophobicContact CB-CD2 4.17Å | ||
| 855 | A | 93.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -65.7 | 150.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L400 V401 L838 W844 Q853 | L400-A855 HydrophobicContact CD2-CB 4.08Å; V401-A855 WeakPolarHBondContact O-CA 3.13Å; V401-A855 WeakPolarHBondContact O-CB 3.43Å; L838-A855 HydrophobicContact CD1-CB 4.01Å; L838-A855 WeakPolarHBondContact CG-O 3.19Å; L838-A855 PolarHBondContact N-O 3.34Å; W844-A855 HydrophobicContact CB-CB 4.02Å; W844-A855 HydrophobicContact CD2-CB 4.35Å; W844-A855 HydrophobicContact CE3-CB 3.87Å; W844-A855 HydrophobicContact CG-CB 4.48Å; Q853-A855 PolarHBondContact O-N 2.98Å | ||
| 856 | T | 95 | Very high | 93.9 | Very high | 49 Ų | 49 | 46.3 Ų | 46.3 | 30% | 0.301 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 139 | 159.7 | 54 | 0 | 0 | 0 | 0 | 109.1 | L400 V401 V835 E836 | L400-T856 CarbonylContact C-O 3.56Å; L400-T856 WeakPolarHBondContact CA-O 3.39Å; V401-T856 PolarHBondContact N-O 3.02Å; V401-T856 PolarHBondContact O-N 2.89Å; V401-T856 VanDerWaalsContact O-N 3.11Å; V835-T856 HydrophobicContact CG1-CG2 4.25Å; E836-T856 CarbonylContact O-C 3.56Å; E836-T856 VanDerWaalsContact O-CA 3.24Å; E836-T856 WeakPolarHBondContact O-CA 3.2Å |
| 857 | K | 94.6 | Very high | 94 | Very high | 55 Ų | 55 | 46.3 Ų | 46.3 | 24% | 0.239 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 141.1 | -179.3 | 178.4 | 175.1 | 158.1 | -124.8 | 0 | 108.6 | T399 L400 V835 E836 L838 | T399-K857 CarbonylContact O-C 3.56Å; T399-K857 WeakPolarHBondContact O-CA 3.4Å; L400-K857 HydrophobicContact CD2-CB 3.73Å; L400-K857 HydrophobicContact CD2-CD 4.34Å; L400-K857 HydrophobicContact CD2-CG 4.01Å; V835-K857 CarbonylContact C-O 3.48Å; V835-K857 WeakPolarHBondContact CA-O 3.29Å; E836-K857 HydrophobicContact CG-CB 3.98Å; E836-K857 HydrophobicContact CG-CG 4.48Å; E836-K857 PolarHBondContact N-O 3.35Å; E836-K857 PolarHBondContact O-N 3.39Å; E836-K857 WeakPolarHBondContact OE1-CD 3.39Å; E836-K857 WeakPolarHBondContact OE1-CE 3.43Å; E836-K857 IonicContact OE1-NZ 3.84Å; E836-K857 PolarHBondContact OE1-NZ 3.03Å; L838-K857 HydrophobicContact CD2-CB 4.19Å; L838-K857 HydrophobicContact CD2-CD 3.87Å; L838-K857 HydrophobicContact CG-CB 4.45Å |
| 858 | K | 94.8 | Very high | 94.2 | Very high | 63 Ų | 63 | 43.1 Ų | 43.1 | 27% | 0.274 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135.6 | 169 | -167.3 | -178.5 | -178.7 | -113 | 0 | 108.7 | T399 T833 V835 D860 | T399-K858 PolarHBondContact N-O 3.36Å; T399-K858 PolarHBondContact O-N 3.2Å; T833-K858 WeakPolarHBondContact O-CE 3.46Å; V835-K858 HydrophobicContact CG2-CB 4.19Å; V835-K858 HydrophobicContact CG2-CD 3.93Å; V835-K858 HydrophobicContact CG2-CG 4.12Å; K858-D860 IonicContact NZ-OD1 3.23Å; K858-D860 PolarHBondContact NZ-OD1 3.22Å; K858-D860 IonicContact NZ-OD2 2.84Å; K858-D860 PolarHBondContact NZ-OD2 2.96Å |
| 859 | L | 94.6 | Very high | 94.5 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 10% | 0.099 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.7 | 168.7 | -64.6 | 177.9 | 0 | 0 | 0 | 109 | S398 F832 T833 | S398-L859 WeakPolarHBondContact OG-CD2 3.23Å; F832-L859 HydrophobicContact CE1-CB 4.11Å; F832-L859 HydrophobicContact CE1-CD1 4.06Å; F832-L859 HydrophobicContact CE2-CD1 4.09Å; F832-L859 HydrophobicContact CZ-CB 4.48Å; F832-L859 HydrophobicContact CZ-CD1 3.57Å; T833-L859 VanDerWaalsContact CA-O 3.28Å; T833-L859 WeakPolarHBondContact CA-O 3.39Å; T833-L859 WeakPolarHBondContact CB-O 3.25Å |
| 860 | D | 93.6 | Very high | 94.6 | Very high | 16 Ų | 16 | 37 Ų | 37 | 9% | 0.086 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 142.2 | 176.7 | -84.6 | -66.7 | 0 | 0 | 0 | 109.6 | F396 K397 K858 W862 L903 | F396-D860 CarbonylContact C-O 3.59Å; F396-D860 WeakPolarHBondContact CA-O 3.28Å; K397-D860 HydrophobicContact CB-CB 4.12Å; K397-D860 PolarHBondContact N-O 3.45Å; K397-D860 PolarHBondContact O-N 2.86Å; K858-D860 IonicContact NZ-OD1 3.23Å; K858-D860 PolarHBondContact NZ-OD1 3.22Å; K858-D860 IonicContact NZ-OD2 2.84Å; K858-D860 PolarHBondContact NZ-OD2 2.96Å; D860-W862 PolarHBondContact O-N 3.26Å; D860-L903 HydrophobicContact CB-CD1 3.38Å; D860-L903 HydrophobicContact CB-CG 3.76Å |
| 861 | L | 93.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 117.4 | 177.2 | -55.8 | 178.9 | 0 | 0 | 0 | 109.5 | F396 L418 I829 L864 F898 F901 L902 L903 | F396-L861 HydrophobicContact CD1-CD2 3.97Å; F396-L861 HydrophobicContact CE1-CD2 3.73Å; L418-L861 HydrophobicContact CD1-CD2 4.49Å; L418-L861 HydrophobicContact CD2-CD2 4.18Å; I829-L861 HydrophobicContact CG2-CD1 4.28Å; L861-L864 HydrophobicContact CB-CD2 4.4Å; L861-L864 HydrophobicContact CD1-CD2 4.29Å; L861-L864 HydrophobicContact CD2-CD2 4.27Å; L861-F898 HydrophobicContact CD1-CD1 3.83Å; L861-F898 HydrophobicContact CD1-CE1 4.09Å; L861-F901 HydrophobicContact CD1-CB 3.93Å; L861-L902 HydrophobicContact CB-CD2 4.25Å; L861-L903 PolarHBondContact O-N 2.91Å |
| 862 | W | 92.4 | Very high | 94.8 | Very high | 22 Ų | 22 | 25.6 Ų | 25.6 | 8% | 0.083 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -49.2 | 178.6 | -177.4 | -94.3 | 0 | 0 | 0 | 112.5 | D369 Q370 A373 L395 F412 D860 L903 R904 | D369-W862 HydrophobicContact CB-CH2 3.71Å; D369-W862 HydrophobicContact CB-CZ3 3.74Å; Q370-W862 HydrophobicContact CB-CH2 4.44Å; Q370-W862 HydrophobicContact CB-CZ2 4.26Å; A373-W862 HydrophobicContact CB-CD2 4.26Å; A373-W862 HydrophobicContact CB-CG 4.4Å; A373-W862 HydrophobicContact CB-CZ2 4Å; A373-W862 VanDerWaalsContact CB-NE1 3.31Å; L395-W862 HydrophobicContact CD2-CG 4.46Å; L395-W862 WeakPolarHBondContact O-CB 3.31Å; L395-W862 PolarHBondContact O-N 2.96Å; F412-W862 HydrophobicContact CD1-CB 4.36Å; F412-W862 HydrophobicContact CD1-CD2 4.35Å; F412-W862 HydrophobicContact CD1-CG 4.13Å; F412-W862 HydrophobicContact CE1-CB 4.25Å; F412-W862 AromaticContact CE1-CD2 3.63Å; F412-W862 HydrophobicContact CE1-CD2 3.63Å; F412-W862 AromaticContact CE1-CE3 3.71Å; F412-W862 HydrophobicContact CE1-CE3 3.71Å; F412-W862 AromaticContact CE1-CG 3.86Å; F412-W862 HydrophobicContact CE1-CG 3.86Å; F412-W862 HydrophobicContact CE1-CZ3 4.34Å; F412-W862 HydrophobicContact CZ-CE3 4.32Å; D860-W862 PolarHBondContact O-N 3.26Å; W862-L903 HydrophobicContact CE3-CB 3.99Å; W862-L903 HydrophobicContact CZ3-CB 4.22Å; W862-R904 HydrophobicContact CD2-CB 4.33Å; W862-R904 HydrophobicContact CE3-CB 4.46Å; W862-R904 HydrophobicContact CH2-CB 4.47Å; W862-R904 HydrophobicContact CZ2-CB 4.33Å; W862-R904 HydrophobicContact CZ2-CG 4.28Å; W862-R904 WeakPolarHBondContact O-CB 3.47Å |
| 863 | S | 91.6 | Very high | 94.7 | Very high | 41 Ų | 41 | 25 Ų | 25 | 29% | 0.287 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 140 | 175.4 | 55 | 0 | 0 | 0 | 0 | 111 | G394 L395 | G394-S863 CarbonylContact C-O 3.58Å; G394-S863 VanDerWaalsContact CA-O 3.26Å; G394-S863 WeakPolarHBondContact CA-O 3.34Å; L395-S863 VanDerWaalsContact CB-OG 3.27Å; L395-S863 WeakPolarHBondContact CB-OG 3.34Å; L395-S863 PolarHBondContact N-O 2.91Å; L395-S863 PolarHBondContact O-N 3.24Å |
| 864 | L | 92.8 | Very high | 94.6 | Very high | 14 Ų | 14 | 24.2 Ų | 24.2 | 7% | 0.073 | 12% | 0.121 | C | C | . | . | trans | -108.8 | 147.1 | -175.2 | -59.7 | 176.1 | 0 | 0 | 0 | 112.1 | F415 L861 L868 F898 L902 Y916 R973 | F415-L864 HydrophobicContact CZ-CD2 3.89Å; L861-L864 HydrophobicContact CB-CD2 4.4Å; L861-L864 HydrophobicContact CD1-CD2 4.29Å; L861-L864 HydrophobicContact CD2-CD2 4.27Å; L864-L868 HydrophobicContact CD2-CD1 4.47Å; L864-F898 HydrophobicContact CD1-CB 3.46Å; L864-F898 VanDerWaalsContact CD1-CB 3.46Å; L864-F898 HydrophobicContact CD1-CD1 3.72Å; L864-F898 HydrophobicContact CD1-CD2 3.93Å; L864-F898 HydrophobicContact CD1-CE1 4.42Å; L864-F898 HydrophobicContact CD1-CG 3.43Å; L864-F898 VanDerWaalsContact CD1-CG 3.43Å; L864-L902 HydrophobicContact CD1-CD2 4.31Å; L864-L902 HydrophobicContact CG-CD2 4.09Å; L864-Y916 WeakPolarHBondContact CB-OH 3.34Å; L864-Y916 HydrophobicContact CD1-CE2 4.13Å; L864-R973 PolarHBondContact O-NH1 2.9Å | ||
| 865 | P | 94.6 | Very high | 94.2 | Very high | 6 Ų | 6 | 22.2 Ų | 22.2 | 4% | 0.039 | 11% | 0.109 | C | C | . | . | trans | -68.6 | 177.1 | -177.9 | 30.6 | -38.9 | 0 | 0 | 0 | 113.6 | F392 V867 L868 Y916 R973 | F392-P865 VanDerWaalsContact O-CB 3.28Å; F392-P865 WeakPolarHBondContact O-CB 3.5Å; F392-P865 WeakPolarHBondContact O-CG 3.24Å; P865-V867 VanDerWaalsContact CG-O 3.26Å; P865-V867 WeakPolarHBondContact CG-O 3.4Å; P865-L868 HydrophobicContact CG-CB 4.21Å; P865-L868 HydrophobicContact CG-CD1 3.94Å; P865-Y916 PolarHBondContact O-OH 3.36Å; P865-R973 PolarHBondContact O-NH1 3.45Å | ||
| 866 | E | 94 | Very high | 93.1 | Very high | 40 Ų | 40 | 24.5 Ų | 24.5 | 19% | 0.187 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -69.2 | -43.3 | 168.1 | 172.9 | 161.3 | 153.5 | 0 | 0 | 111.4 | P266 T391 H972 R973 K976 | P266-E866 WeakPolarHBondContact CG-OE1 3.43Å; T391-E866 PolarHBondContact O-N 3.24Å; E866-H972 WeakPolarHBondContact CG-NE2 3.36Å; E866-H972 PolarHBondContact O-CD2 3.14Å; E866-H972 IonicContact OE1-CD2 3.19Å; E866-H972 IonicContact OE1-CE1 3.48Å; E866-H972 IonicContact OE1-NE2 3.97Å; E866-H972 PolarHBondContact OE1-NE2 2.81Å; E866-R973 WeakPolarHBondContact O-CB 3.16Å; E866-R973 PolarHBondContact O-N 3.4Å; E866-K976 HydrophobicContact CB-CG 4.3Å; E866-K976 HydrophobicContact CG-CB 3.64Å; E866-K976 HydrophobicContact CG-CG 3.72Å; E866-K976 WeakPolarHBondContact OE2-CB 3.41Å; E866-K976 WeakPolarHBondContact OE2-CD 3.07Å; E866-K976 VanDerWaalsContact OE2-CG 3.3Å; E866-K976 WeakPolarHBondContact OE2-CG 3.14Å |
| 867 | V | 97 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 114.7 | 173.9 | -176 | 0 | 0 | 0 | 0 | 109 | T264 P266 T391 F392 P865 I919 Y971 | T264-V867 HydrophobicContact CG2-CB 4.29Å; T264-V867 HydrophobicContact CG2-CG1 3.93Å; T264-V867 HydrophobicContact CG2-CG2 3.78Å; P266-V867 HydrophobicContact CG-CG2 4.35Å; T391-V867 HydrophobicContact CG2-CB 3.93Å; T391-V867 HydrophobicContact CG2-CG2 3.59Å; T391-V867 PolarHBondContact O-N 3.4Å; F392-V867 HydrophobicContact CD1-CB 3.9Å; F392-V867 HydrophobicContact CD1-CG1 4.03Å; F392-V867 HydrophobicContact CE1-CB 3.87Å; F392-V867 HydrophobicContact CE1-CG1 3.68Å; P865-V867 VanDerWaalsContact CG-O 3.26Å; P865-V867 WeakPolarHBondContact CG-O 3.4Å; V867-I919 HydrophobicContact CG1-CD1 4.27Å; V867-Y971 CarbonylContact C-O 3.57Å; V867-Y971 VanDerWaalsContact CA-O 3.28Å; V867-Y971 WeakPolarHBondContact CA-O 3.17Å |
| 868 | L | 97.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 123.2 | 179.3 | -176 | 65.2 | 0 | 0 | 0 | 110.1 | F415 L418 L864 P865 I870 F898 Y916 Y971 | F415-L868 HydrophobicContact CE2-CD1 4.06Å; L418-L868 HydrophobicContact CD1-CD1 3.94Å; L418-L868 HydrophobicContact CD1-CD2 4.29Å; L418-L868 HydrophobicContact CD1-CG 4.48Å; L418-L868 HydrophobicContact CG-CD1 3.96Å; L864-L868 HydrophobicContact CD2-CD1 4.47Å; P865-L868 HydrophobicContact CG-CB 4.21Å; P865-L868 HydrophobicContact CG-CD1 3.94Å; L868-I870 HydrophobicContact CD2-CD1 4Å; L868-I870 HydrophobicContact CD2-CG1 4.14Å; L868-I870 HydrophobicContact CG-CD1 4.38Å; L868-I870 HydrophobicContact CG-CG1 3.99Å; L868-F898 HydrophobicContact CD2-CD2 4.38Å; L868-F898 HydrophobicContact CD2-CE1 4.13Å; L868-F898 HydrophobicContact CD2-CE2 3.48Å; L868-F898 VanDerWaalsContact CD2-CE2 3.48Å; L868-F898 HydrophobicContact CD2-CZ 3.34Å; L868-Y916 HydrophobicContact CB-CD1 4.13Å; L868-Y916 HydrophobicContact CB-CE1 3.76Å; L868-Y971 PolarHBondContact N-O 2.94Å; L868-Y971 PolarHBondContact O-N 3.36Å |
| 869 | I | 98.4 | Very high | 88 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 128.2 | 173 | -62.7 | 172.4 | 0 | 0 | 0 | 108.3 | L339 L343 F392 Y417 L418 V968 L969 F970 | L339-I869 HydrophobicContact CD2-CD1 4.47Å; L339-I869 HydrophobicContact CD2-CG2 3.97Å; L343-I869 HydrophobicContact CD1-CD1 3.8Å; L343-I869 HydrophobicContact CD2-CD1 4.41Å; F392-I869 HydrophobicContact CD1-CD1 3.63Å; F392-I869 HydrophobicContact CD1-CG1 4.08Å; F392-I869 HydrophobicContact CE1-CD1 3.72Å; F392-I869 HydrophobicContact CE1-CG1 4.23Å; Y417-I869 CarbonylContact C-O 3.59Å; Y417-I869 WeakPolarHBondContact CA-O 3.46Å; L418-I869 PolarHBondContact N-O 3.18Å; I869-V968 HydrophobicContact CG2-CG1 3.59Å; I869-L969 CarbonylContact C-O 3.6Å; I869-L969 WeakPolarHBondContact CA-O 3.44Å; I869-F970 HydrophobicContact CD1-CD1 4.19Å; I869-F970 HydrophobicContact CD1-CE1 3.61Å; I869-F970 HydrophobicContact CD1-CZ 3.89Å; I869-F970 HydrophobicContact CG1-CD1 3.84Å; I869-F970 HydrophobicContact CG1-CE1 3.75Å; I869-F970 HydrophobicContact CG1-CE2 4.48Å; I869-F970 HydrophobicContact CG1-CG 4.26Å; I869-F970 HydrophobicContact CG1-CZ 4.09Å; I869-F970 HydrophobicContact CG2-CE2 4.28Å; I869-F970 HydrophobicContact CG2-CZ 4.42Å |
| 870 | I | 98.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 107.2 | 178.9 | -48.5 | 177.1 | 0 | 0 | 0 | 109.4 | L418 V420 L825 L868 L896 F898 V968 L969 Y971 | L418-I870 HydrophobicContact CB-CG2 4.44Å; L418-I870 HydrophobicContact CD1-CG1 4.48Å; L418-I870 CarbonylContact O-C 3.51Å; L418-I870 WeakPolarHBondContact O-CA 3.36Å; V420-I870 HydrophobicContact CG1-CG2 4.13Å; V420-I870 HydrophobicContact CG2-CG2 3.87Å; L825-I870 HydrophobicContact CD1-CG2 4.32Å; L825-I870 HydrophobicContact CD2-CD1 4.2Å; L868-I870 HydrophobicContact CD2-CD1 4Å; L868-I870 HydrophobicContact CD2-CG1 4.14Å; L868-I870 HydrophobicContact CG-CD1 4.38Å; L868-I870 HydrophobicContact CG-CG1 3.99Å; I870-L896 HydrophobicContact CD1-CD2 4.4Å; I870-F898 HydrophobicContact CD1-CZ 4.11Å; I870-V968 CarbonylContact O-C 3.57Å; I870-V968 WeakPolarHBondContact O-CA 3.24Å; I870-L969 HydrophobicContact CB-CB 4.36Å; I870-L969 PolarHBondContact N-O 3.44Å; I870-L969 PolarHBondContact O-N 3.46Å; I870-Y971 HydrophobicContact CD1-CD2 3.94Å; I870-Y971 HydrophobicContact CD1-CE2 4.11Å; I870-Y971 HydrophobicContact CG1-CD2 4.45Å |
| 871 | H | 97.8 | Very high | 84.1 | Confident | 12 Ų | 12 | 43.1 Ų | 43.1 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 127.5 | 170 | 158 | -137.1 | 0 | 0 | 0 | 110 | Q336 L418 S419 V420 Y967 V968 | Q336-H871 HydrophobicContact CG-CB 3.96Å; Q336-H871 PolarHBondContact OE1-CE1 3.09Å; Q336-H871 PolarHBondContact OE1-ND1 3Å; L418-H871 PolarHBondContact O-N 2.95Å; S419-H871 CarbonylContact C-O 3.54Å; S419-H871 WeakPolarHBondContact CA-O 2.97Å; S419-H871 PolarHBondContact OG-ND1 3.05Å; V420-H871 PolarHBondContact N-O 3.13Å; H871-Y967 AromaticContact CD2-CE2 3.42Å; H871-Y967 VanDerWaalsContact CD2-CE2 3.42Å; H871-Y967 WeakPolarHBondContact CD2-CE2 3.36Å; H871-Y967 AromaticContact CD2-CZ 3.57Å; H871-Y967 AromaticContact NE2-CE2 3.33Å; H871-Y967 VanDerWaalsContact NE2-CE2 3.33Å; H871-Y967 WeakPolarHBondContact NE2-CE2 3.43Å; H871-Y967 AromaticContact NE2-CZ 3.41Å; H871-Y967 PolarHBondContact NE2-OH 2.94Å; H871-V968 HydrophobicContact CB-CG2 4.26Å |
| 872 | L | 96.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 111.8 | 172.3 | -57.2 | 175.2 | 0 | 0 | 0 | 108.4 | V420 L825 R874 V889 A966 Y967 | V420-L872 HydrophobicContact CG2-CD2 3.69Å; L825-L872 HydrophobicContact CD1-CD2 3.93Å; L872-R874 HydrophobicContact CB-CG 4.44Å; L872-R874 PolarHBondContact O-N 2.77Å; L872-V889 HydrophobicContact CD1-CB 4.02Å; L872-V889 HydrophobicContact CD1-CG1 4.38Å; L872-V889 HydrophobicContact CD1-CG2 3.9Å; L872-V889 HydrophobicContact CD2-CG1 4.29Å; L872-V889 HydrophobicContact CD2-CG2 4.29Å; L872-A966 WeakPolarHBondContact CD1-O 3.4Å; L872-Y967 PolarHBondContact N-O 2.76Å; L872-Y967 WeakPolarHBondContact O-CD2 3.15Å; L872-Y967 VanDerWaalsContact O-CE2 3.24Å; L872-Y967 WeakPolarHBondContact O-CE2 3.44Å |
| 873 | K | 92.8 | Very high | 81.8 | Confident | 101 Ų | 101 | 53.3 Ų | 53.3 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 76 | -179.5 | -71.9 | 179.3 | 168.3 | 179.4 | 0 | 112.1 | S419 V420 | S419-K873 WeakPolarHBondContact O-CE 3.44Å; V420-K873 WeakPolarHBondContact O-CB 3.49Å; V420-K873 WeakPolarHBondContact O-CG 3.29Å; V420-K873 PolarHBondContact O-N 3.17Å |
| 874 | R | 90.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -79.2 | -36 | -179.2 | -72.2 | -170.5 | -177.1 | -74.4 | 0.5 | 113.4 | L422 L872 S876 K884 L885 T887 N964 A966 Y967 | L422-R874 HydrophobicContact CD1-CB 4.44Å; L422-R874 HydrophobicContact CD1-CG 3.75Å; L872-R874 HydrophobicContact CB-CG 4.44Å; L872-R874 PolarHBondContact O-N 2.77Å; R874-S876 PolarHBondContact O-N 3.42Å; R874-K884 HydrophobicContact CB-CG 4.22Å; R874-K884 CarbonylContact O-C 3.49Å; R874-K884 WeakPolarHBondContact O-CA 3.36Å; R874-L885 WeakPolarHBondContact CG-O 3.36Å; R874-L885 PolarHBondContact NH1-O 2.97Å; R874-L885 PolarHBondContact O-N 3.14Å; R874-T887 PolarHBondContact NH1-O 3.01Å; R874-T887 PolarHBondContact NH2-O 3.21Å; R874-N964 PolarHBondContact NE-O 3.12Å; R874-N964 PolarHBondContact NH1-O 3.06Å; R874-N964 PolarHBondContact NH2-O 2.72Å; R874-A966 VanDerWaalsContact CZ-O 3.25Å; R874-A966 PolarHBondContact NE-O 3.26Å; R874-A966 PolarHBondContact NH2-O 3.04Å; R874-Y967 HydrophobicContact CB-CD2 4.17Å; R874-Y967 HydrophobicContact CB-CE2 4.22Å; R874-Y967 HydrophobicContact CG-CD2 4.13Å | ||
| 875 | F | 85.5 | Confident | 81 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 11% | 0.114 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 119.1 | -179 | -59.4 | -59.2 | 0 | 0 | 0 | 110.6 | Y877 E883 K884 H924 L928 Y967 | F875-Y877 HydrophobicContact CB-CE2 4.05Å; F875-E883 WeakPolarHBondContact CA-O 3.26Å; F875-K884 HydrophobicContact CD1-CB 4.12Å; F875-K884 HydrophobicContact CD1-CG 4.17Å; F875-K884 HydrophobicContact CE1-CB 4.13Å; F875-K884 HydrophobicContact CE1-CD 4.26Å; F875-K884 HydrophobicContact CE1-CG 3.93Å; F875-H924 AromaticContact CZ-CE1 3.71Å; F875-H924 AromaticContact CZ-ND1 3.64Å; F875-L928 HydrophobicContact CD1-CB 4.36Å; F875-L928 HydrophobicContact CD1-CD1 4.32Å; F875-L928 HydrophobicContact CD2-CD1 4.01Å; F875-L928 HydrophobicContact CE1-CB 4.11Å; F875-L928 HydrophobicContact CE1-CD1 4.07Å; F875-L928 HydrophobicContact CE2-CD1 3.75Å; F875-L928 HydrophobicContact CG-CD1 4.29Å; F875-L928 HydrophobicContact CZ-CD1 3.77Å; F875-Y967 HydrophobicContact CD2-CE2 4.21Å; F875-Y967 HydrophobicContact CE2-CE1 4.23Å; F875-Y967 HydrophobicContact CE2-CE2 4.11Å; F875-Y967 AromaticContact CE2-CZ 3.8Å |
| 876 | S | 71.6 | Confident | 80.5 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 130.5 | 173.7 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | R874 R882 E883 | R874-S876 PolarHBondContact O-N 3.42Å; S876-R882 WeakPolarHBondContact O-CA 3.44Å; S876-E883 PolarHBondContact N-O 2.86Å; S876-E883 PolarHBondContact O-N 3.33Å |
| 877 | Y | 65.4 | Low | 80.1 | Confident | 130 Ų | 130 | 55.3 Ų | 55.3 | 51% | 0.51 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 111.5 | -178.7 | -61.4 | -89.2 | 0 | 0 | 0 | 109.1 | F875 R882 L928 | F875-Y877 HydrophobicContact CB-CE2 4.05Å; Y877-R882 HydrophobicContact CD1-CG 3.96Å; Y877-R882 HydrophobicContact CE1-CG 4.33Å; Y877-L928 HydrophobicContact CE1-CD2 3.99Å; Y877-L928 VanDerWaalsContact OH-CD2 3.27Å; Y877-L928 WeakPolarHBondContact OH-CD2 3.44Å |
| 878 | T | 60.3 | Low | 79.9 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 45% | 0.454 | 27% | 0.265 | S | S | . | . | trans | -101.6 | 170.6 | 165.9 | 84.3 | 0 | 0 | 0 | 0 | 109.7 | F880 T881 | T878-F880 PolarHBondContact O-N 2.84Å; T878-F880 VanDerWaalsContact O-N 3.07Å; T878-F880 PolarHBondContact OG1-N 3Å; T878-T881 PolarHBondContact N-O 2.96Å; T878-T881 PolarHBondContact OG1-N 2.91Å; T878-T881 PolarHBondContact OG1-O 2.84Å; T878-T881 PolarHBondContact OG1-OG1 2.83Å | ||
| 879 | K | 51.4 | Low | 79.7 | Confident | 176 Ų | 176 | 56.9 Ų | 56.9 | 77% | 0.765 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -63.2 | -12.7 | 177.4 | -65.6 | -178.6 | 179.7 | 174.9 | 0 | 113.4 | E841 | E841-K879 IonicContact OE1-NZ 3.99Š|
| 880 | F | 48.9 | Very low | 79.6 | Confident | 176 Ų | 176 | 59.9 Ų | 59.9 | 77% | 0.772 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -131.1 | -22.3 | -175.8 | -53.3 | -68.5 | 0 | 0 | 0 | 114.9 | T878 | T878-F880 PolarHBondContact O-N 2.84Å; T878-F880 VanDerWaalsContact O-N 3.07Å; T878-F880 PolarHBondContact OG1-N 3Å |
| 881 | T | 55.7 | Low | 79.5 | Confident | 37 Ų | 37 | 59.9 Ų | 59.9 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | trans | -131.7 | 150.1 | -176 | 60.8 | 0 | 0 | 0 | 0 | 112 | T878 | T878-T881 PolarHBondContact N-O 2.96Å; T878-T881 PolarHBondContact OG1-N 2.91Å; T878-T881 PolarHBondContact OG1-O 2.84Å; T878-T881 PolarHBondContact OG1-OG1 2.83Å | ||
| 882 | R | 66.6 | Low | 79.3 | Confident | 165 Ų | 165 | 61.1 Ų | 61.1 | 62% | 0.623 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 105.9 | 166.8 | -63.4 | -174.4 | -178 | -168.6 | -2.2 | 107.4 | S876 Y877 | S876-R882 WeakPolarHBondContact O-CA 3.44Å; Y877-R882 HydrophobicContact CD1-CG 3.96Å; Y877-R882 HydrophobicContact CE1-CG 4.33Å |
| 883 | E | 72.4 | Confident | 79.3 | Confident | 72 Ų | 72 | 62.5 Ų | 62.5 | 34% | 0.336 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 144.7 | -177.5 | -161.5 | -171.2 | 154.1 | 0 | 0 | 109.8 | K452 F875 S876 | K452-E883 IonicContact NZ-OE1 2.98Å; K452-E883 PolarHBondContact NZ-OE1 2.91Å; K452-E883 IonicContact NZ-OE2 3.33Å; K452-E883 PolarHBondContact NZ-OE2 3.42Å; F875-E883 WeakPolarHBondContact CA-O 3.26Å; S876-E883 PolarHBondContact N-O 2.86Å; S876-E883 PolarHBondContact O-N 3.33Å |
| 884 | K | 82.8 | Confident | 79.3 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 13% | 0.13 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124 | 166.3 | -177 | -163.9 | 173 | -151.8 | 0 | 108.4 | R874 F875 D886 H924 G926 | R874-K884 HydrophobicContact CB-CG 4.22Å; R874-K884 CarbonylContact O-C 3.49Å; R874-K884 WeakPolarHBondContact O-CA 3.36Å; F875-K884 HydrophobicContact CD1-CB 4.12Å; F875-K884 HydrophobicContact CD1-CG 4.17Å; F875-K884 HydrophobicContact CE1-CB 4.13Å; F875-K884 HydrophobicContact CE1-CD 4.26Å; F875-K884 HydrophobicContact CE1-CG 3.93Å; K884-D886 WeakPolarHBondContact CD-OD1 3.49Å; K884-D886 WeakPolarHBondContact CE-OD1 3.47Å; K884-D886 IonicContact NZ-OD1 3.08Å; K884-D886 PolarHBondContact NZ-OD1 3.19Å; K884-D886 PolarHBondContact O-N 2.86Å; K884-H924 PolarHBondContact NZ-O 3.21Å; K884-G926 VanDerWaalsContact CD-O 3.3Å; K884-G926 WeakPolarHBondContact CD-O 3.29Å |
| 885 | L | 83.4 | Confident | 79.4 | Confident | 15 Ų | 15 | 68 Ų | 68 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | trans | -76 | 104.7 | 172.8 | -60.1 | 175 | 0 | 0 | 0 | 109.3 | L422 V424 R874 T887 | L422-L885 HydrophobicContact CB-CD1 3.88Å; L422-L885 HydrophobicContact CD1-CB 3.85Å; L422-L885 HydrophobicContact CD1-CD1 4Å; V424-L885 HydrophobicContact CG2-CD1 4.2Å; R874-L885 WeakPolarHBondContact CG-O 3.36Å; R874-L885 PolarHBondContact NH1-O 2.97Å; R874-L885 PolarHBondContact O-N 3.14Å; L885-T887 PolarHBondContact O-N 3.42Å | ||
| 886 | D | 84.2 | Confident | 79.7 | Confident | 77 Ų | 77 | 66.9 Ų | 66.9 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | trans | -87.6 | 24 | 175 | -78.5 | -43 | 0 | 0 | 0 | 113.3 | K884 I888 N964 | K884-D886 WeakPolarHBondContact CD-OD1 3.49Å; K884-D886 WeakPolarHBondContact CE-OD1 3.47Å; K884-D886 IonicContact NZ-OD1 3.08Å; K884-D886 PolarHBondContact NZ-OD1 3.19Å; K884-D886 PolarHBondContact O-N 2.86Å; D886-I888 PolarHBondContact O-N 3.47Å; D886-N964 WeakPolarHBondContact O-CB 3.29Å | ||
| 887 | T | 87.3 | Confident | 80.5 | Confident | 21 Ų | 21 | 66.8 Ų | 66.8 | 13% | 0.129 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 132.5 | 169.2 | -49.3 | 0 | 0 | 0 | 0 | 110.7 | T821 V823 R874 L885 V889 | T821-T887 WeakPolarHBondContact O-CG2 3.41Å; V823-T887 HydrophobicContact CB-CG2 4.21Å; V823-T887 HydrophobicContact CG2-CG2 3.65Å; R874-T887 PolarHBondContact NH1-O 3.01Å; R874-T887 PolarHBondContact NH2-O 3.21Å; L885-T887 PolarHBondContact O-N 3.42Å; T887-V889 PolarHBondContact O-N 2.92Å |
| 888 | I | 91 | Very high | 81.5 | Confident | 33 Ų | 33 | 60.7 Ų | 60.7 | 17% | 0.169 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 118.2 | 171.1 | -65.2 | 174.1 | 0 | 0 | 0 | 107.2 | Q820 T821 T822 V823 D886 N964 | Q820-I888 HydrophobicContact CB-CD1 3.94Å; Q820-I888 HydrophobicContact CB-CG1 4.5Å; T821-I888 PolarHBondContact O-N 3.18Å; T822-I888 WeakPolarHBondContact CA-O 3.21Å; T822-I888 HydrophobicContact CG2-CB 3.96Å; T822-I888 HydrophobicContact CG2-CG2 3.98Å; V823-I888 PolarHBondContact N-O 3.2Å; D886-I888 PolarHBondContact O-N 3.47Å; I888-N964 HydrophobicContact CG1-CB 3.95Å |
| 889 | V | 94.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 120.4 | 166.4 | -178.4 | 0 | 0 | 0 | 0 | 106.6 | L422 V823 L825 L872 T887 F891 | L422-V889 HydrophobicContact CD2-CG2 3.4Å; L422-V889 VanDerWaalsContact CD2-CG2 3.4Å; V823-V889 CarbonylContact O-C 3.54Å; V823-V889 VanDerWaalsContact O-CA 3.31Å; V823-V889 WeakPolarHBondContact O-CA 3.44Å; L825-V889 HydrophobicContact CB-CG1 4.05Å; L825-V889 HydrophobicContact CD1-CG1 4.14Å; L872-V889 HydrophobicContact CD1-CB 4.02Å; L872-V889 HydrophobicContact CD1-CG1 4.38Å; L872-V889 HydrophobicContact CD1-CG2 3.9Å; L872-V889 HydrophobicContact CD2-CG1 4.29Å; L872-V889 HydrophobicContact CD2-CG2 4.29Å; T887-V889 PolarHBondContact O-N 2.92Å; V889-F891 HydrophobicContact CG1-CD1 4.42Å; V889-F891 VanDerWaalsContact O-CD1 3.22Å; V889-F891 WeakPolarHBondContact O-CD1 3.3Å |
| 890 | D | 94.7 | Very high | 83.8 | Confident | 64 Ų | 64 | 59 Ų | 59 | 34% | 0.342 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 120.1 | 168.8 | -169.7 | 8.3 | 0 | 0 | 0 | 107.8 | V823 Q824 L825 | V823-D890 PolarHBondContact O-N 3.03Å; Q824-D890 PolarHBondContact NE2-OD2 2.77Å; L825-D890 WeakPolarHBondContact CB-O 3.3Å; L825-D890 PolarHBondContact N-O 2.8Å |
| 891 | F | 95.9 | Very high | 85.3 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | trans | -134.2 | 128.5 | -177.1 | 55.8 | -93.9 | 0 | 0 | 0 | 110 | L825 V889 L893 L918 V921 I961 V962 A966 L969 | L825-F891 HydrophobicContact CB-CB 4.04Å; L825-F891 HydrophobicContact CD2-CB 3.81Å; L825-F891 HydrophobicContact CG-CB 4.44Å; V889-F891 HydrophobicContact CG1-CD1 4.42Å; V889-F891 VanDerWaalsContact O-CD1 3.22Å; V889-F891 WeakPolarHBondContact O-CD1 3.3Å; F891-L893 HydrophobicContact CE2-CD1 4.44Å; F891-L918 HydrophobicContact CD2-CD2 4.13Å; F891-L918 HydrophobicContact CE2-CD2 3.76Å; F891-V921 HydrophobicContact CE2-CG2 4.12Å; F891-V921 HydrophobicContact CZ-CG2 4.34Å; F891-I961 HydrophobicContact CE2-CG2 4.11Å; F891-I961 HydrophobicContact CZ-CG2 4.31Å; F891-V962 HydrophobicContact CD1-CG1 4.27Å; F891-V962 HydrophobicContact CD2-CG2 4.39Å; F891-V962 HydrophobicContact CE1-CB 4.44Å; F891-V962 HydrophobicContact CE1-CG1 4.1Å; F891-V962 HydrophobicContact CE2-CG2 4.1Å; F891-V962 HydrophobicContact CZ-CB 4.37Å; F891-V962 HydrophobicContact CZ-CG2 4.17Å; F891-A966 HydrophobicContact CE1-CB 3.52Å; F891-A966 HydrophobicContact CZ-CB 3.69Å; F891-L969 HydrophobicContact CB-CD1 3.89Å; F891-L969 HydrophobicContact CD1-CD1 4.07Å; F891-L969 HydrophobicContact CD1-CD2 4.17Å; F891-L969 HydrophobicContact CD2-CD1 4.09Å; F891-L969 HydrophobicContact CD2-CD2 4.04Å; F891-L969 HydrophobicContact CE1-CD2 3.97Å; F891-L969 HydrophobicContact CE2-CD2 3.82Å; F891-L969 HydrophobicContact CG-CD1 3.76Å; F891-L969 HydrophobicContact CG-CD2 4.22Å; F891-L969 HydrophobicContact CZ-CD2 3.78Å | ||
| 892 | P | 95.2 | Very high | 86.5 | Confident | 38 Ų | 38 | 51.7 Ų | 51.7 | 25% | 0.247 | 26% | 0.255 | C | S | . | . | trans | -73.9 | 135.2 | -175 | 29.9 | -35 | 0 | 0 | 0 | 110.9 | R894 L896 Y971 | P892-R894 VanDerWaalsContact C-N 3.27Å; P892-R894 PolarHBondContact O-N 2.73Å; P892-L896 HydrophobicContact CG-CB 3.98Å; P892-L896 HydrophobicContact CG-CD1 3.79Å; P892-L896 HydrophobicContact CG-CG 4.38Å; P892-Y971 WeakPolarHBondContact O-CE1 3.22Å; P892-Y971 PolarHBondContact O-OH 2.81Å | ||
| 893 | L | 95.1 | Very high | 87.1 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 15% | 0.152 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -74.2 | -17.7 | 178.4 | -84.5 | 58.8 | 0 | 0 | 0 | 113 | F891 L918 Q958 I961 V962 | F891-L893 HydrophobicContact CE2-CD1 4.44Å; L893-L918 HydrophobicContact CD1-CD2 4.23Å; L893-L918 HydrophobicContact CG-CD2 3.98Å; L893-L918 WeakPolarHBondContact O-CB 3.32Å; L893-L918 PolarHBondContact O-N 3.29Å; L893-Q958 HydrophobicContact CD2-CB 3.57Å; L893-Q958 HydrophobicContact CD2-CG 3.89Å; L893-I961 HydrophobicContact CD2-CD1 4.05Å; L893-V962 HydrophobicContact CD1-CG2 3.54Å |
| 894 | R | 93.4 | Very high | 86.9 | Confident | 134 Ų | 134 | 47.2 Ų | 47.2 | 51% | 0.506 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -146.8 | 160.7 | 179.5 | -70.2 | -170.3 | 177.3 | 138.5 | 1.2 | 110.8 | P892 L896 D917 | P892-R894 VanDerWaalsContact C-N 3.27Å; P892-R894 PolarHBondContact O-N 2.73Å; R894-L896 PolarHBondContact O-N 3.39Å; R894-D917 VanDerWaalsContact CA-OD1 3.25Å; R894-D917 WeakPolarHBondContact CA-OD1 3.43Å; R894-D917 WeakPolarHBondContact CB-OD1 3.46Å; R894-D917 HydrophobicContact CG-CB 4.36Å |
| 895 | D | 91.3 | Very high | 85.8 | Confident | 82 Ų | 82 | 54 Ų | 54 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | trans | 56.7 | 32.2 | 172.7 | -71.9 | -68.5 | 0 | 0 | 0 | 114.1 | D897 R915 Y916 D917 Q974 | D895-D897 PolarHBondContact O-N 3.37Å; D895-R915 IonicContact OD1-NH1 3.81Å; D895-R915 PolarHBondContact OD1-NH1 3.35Å; D895-Y916 PolarHBondContact N-O 3.09Å; D895-D917 PolarHBondContact N-OD1 3.33Å; D895-Q974 PolarHBondContact OD1-NE2 3.31Å | ||
| 896 | L | 92.3 | Very high | 84.4 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 100.6 | 171 | 178.5 | 56.9 | 0 | 0 | 0 | 109 | L825 I870 P892 R894 F898 R915 Y916 Y971 | L825-L896 HydrophobicContact CD2-CD2 3.92Å; I870-L896 HydrophobicContact CD1-CD2 4.4Å; P892-L896 HydrophobicContact CG-CB 3.98Å; P892-L896 HydrophobicContact CG-CD1 3.79Å; P892-L896 HydrophobicContact CG-CG 4.38Å; R894-L896 PolarHBondContact O-N 3.39Å; L896-F898 HydrophobicContact CD1-CE2 4.44Å; L896-F898 HydrophobicContact CD2-CE2 3.62Å; L896-F898 HydrophobicContact CD2-CZ 4.05Å; L896-F898 HydrophobicContact CG-CD2 4.21Å; L896-F898 HydrophobicContact CG-CE2 3.65Å; L896-F898 HydrophobicContact CG-CZ 4.35Å; L896-R915 CarbonylContact O-C 3.57Å; L896-R915 WeakPolarHBondContact O-CA 3.46Å; L896-Y916 PolarHBondContact N-O 2.99Å; L896-Y916 PolarHBondContact O-N 3.21Å; L896-Y971 HydrophobicContact CB-CD1 4.35Å; L896-Y971 HydrophobicContact CB-CE1 3.95Å; L896-Y971 HydrophobicContact CD2-CD1 3.95Å; L896-Y971 HydrophobicContact CD2-CD2 4.07Å; L896-Y971 HydrophobicContact CD2-CE1 3.61Å; L896-Y971 HydrophobicContact CD2-CE2 3.72Å; L896-Y971 HydrophobicContact CD2-CG 4.18Å; L896-Y971 VanDerWaalsContact CD2-CZ 3.49Å; L896-Y971 HydrophobicContact CG-CE1 4.44Å |
| 897 | D | 88.9 | Confident | 82.7 | Confident | 47 Ų | 47 | 57.9 Ų | 57.9 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 124 | -176.2 | -157.3 | -32.5 | 0 | 0 | 0 | 111.3 | D895 S899 R915 | D895-D897 PolarHBondContact O-N 3.37Å; D897-S899 WeakPolarHBondContact OD1-CB 3.29Å; D897-S899 PolarHBondContact OD1-N 2.95Å; D897-S899 PolarHBondContact OD1-OG 2.96Å; D897-R915 HydrophobicContact CB-CG 4.12Å; D897-R915 IonicContact OD2-CZ 2.72Å; D897-R915 IonicContact OD2-NE 2.71Å; D897-R915 PolarHBondContact OD2-NE 2.77Å; D897-R915 IonicContact OD2-NH2 2.96Å; D897-R915 PolarHBondContact OD2-NH2 3.14Å |
| 898 | F | 85.6 | Confident | 81 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | trans | -97.2 | 4.4 | 177 | -81 | -92.6 | 0 | 0 | 0 | 114.1 | I829 L861 L864 L868 I870 L896 D900 F901 L902 S914 Y916 | I829-F898 HydrophobicContact CD1-CE1 3.68Å; I829-F898 HydrophobicContact CD1-CZ 3.86Å; I829-F898 HydrophobicContact CG1-CE1 4.42Å; I829-F898 HydrophobicContact CG2-CE1 4.36Å; L861-F898 HydrophobicContact CD1-CD1 3.83Å; L861-F898 HydrophobicContact CD1-CE1 4.09Å; L864-F898 HydrophobicContact CD1-CB 3.46Å; L864-F898 VanDerWaalsContact CD1-CB 3.46Å; L864-F898 HydrophobicContact CD1-CD1 3.72Å; L864-F898 HydrophobicContact CD1-CD2 3.93Å; L864-F898 HydrophobicContact CD1-CE1 4.42Å; L864-F898 HydrophobicContact CD1-CG 3.43Å; L864-F898 VanDerWaalsContact CD1-CG 3.43Å; L868-F898 HydrophobicContact CD2-CD2 4.38Å; L868-F898 HydrophobicContact CD2-CE1 4.13Å; L868-F898 HydrophobicContact CD2-CE2 3.48Å; L868-F898 VanDerWaalsContact CD2-CE2 3.48Å; L868-F898 HydrophobicContact CD2-CZ 3.34Å; I870-F898 HydrophobicContact CD1-CZ 4.11Å; L896-F898 HydrophobicContact CD1-CE2 4.44Å; L896-F898 HydrophobicContact CD2-CE2 3.62Å; L896-F898 HydrophobicContact CD2-CZ 4.05Å; L896-F898 HydrophobicContact CG-CD2 4.21Å; L896-F898 HydrophobicContact CG-CE2 3.65Å; L896-F898 HydrophobicContact CG-CZ 4.35Å; F898-D900 PolarHBondContact O-N 3.36Å; F898-D900 VanDerWaalsContact O-N 3.12Å; F898-F901 HydrophobicContact CD1-CD2 4.16Å; F898-F901 PolarHBondContact O-N 3.39Å; F898-L902 PolarHBondContact O-N 2.89Å; F898-S914 PolarHBondContact N-O 2.63Å; F898-S914 VanDerWaalsContact N-O 3.07Å; F898-Y916 AromaticContact CD2-CD2 3.71Å; F898-Y916 HydrophobicContact CD2-CD2 3.71Å; F898-Y916 AromaticContact CD2-CE2 3.83Å; F898-Y916 HydrophobicContact CD2-CE2 3.83Å; F898-Y916 AromaticContact CE2-CD2 3.98Å; F898-Y916 HydrophobicContact CE2-CD2 3.98Å; F898-Y916 HydrophobicContact CE2-CE2 4.26Å | ||
| 899 | S | 80.8 | Confident | 79.3 | Confident | 56 Ų | 56 | 64.1 Ų | 64.1 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -30.3 | -170.8 | -60.7 | 0 | 0 | 0 | 0 | 114.7 | D897 | D897-S899 WeakPolarHBondContact OD1-CB 3.29Å; D897-S899 PolarHBondContact OD1-N 2.95Å; D897-S899 PolarHBondContact OD1-OG 2.96Å |
| 900 | D | 79.8 | Confident | 77.3 | Confident | 159 Ų | 159 | 72.3 Ų | 72.3 | 85% | 0.85 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -20.5 | 177.3 | -70.7 | -44.1 | 0 | 0 | 0 | 113.8 | F898 | F898-D900 PolarHBondContact O-N 3.36Å; F898-D900 VanDerWaalsContact O-N 3.12Å |
| 901 | F | 80.1 | Confident | 75.8 | Confident | 38 Ų | 38 | 73.4 Ų | 73.4 | 17% | 0.167 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -12.1 | -179.4 | -57.1 | -60.7 | 0 | 0 | 0 | 113.8 | Q826 I829 E830 L861 F898 | Q826-F901 HydrophobicContact CB-CE2 4.38Å; Q826-F901 HydrophobicContact CB-CZ 4.04Å; Q826-F901 HydrophobicContact CG-CE2 4.13Å; Q826-F901 HydrophobicContact CG-CZ 4.24Å; I829-F901 HydrophobicContact CG2-CB 4.43Å; I829-F901 HydrophobicContact CG2-CD1 4.1Å; I829-F901 HydrophobicContact CG2-CD2 3.98Å; I829-F901 HydrophobicContact CG2-CE1 4.41Å; I829-F901 HydrophobicContact CG2-CE2 4.28Å; I829-F901 HydrophobicContact CG2-CG 3.89Å; I829-F901 HydrophobicContact CG2-CZ 4.5Å; E830-F901 HydrophobicContact CG-CE1 3.63Å; E830-F901 HydrophobicContact CG-CZ 4.2Å; L861-F901 HydrophobicContact CD1-CB 3.93Å; F898-F901 HydrophobicContact CD1-CD2 4.16Å; F898-F901 PolarHBondContact O-N 3.39Å |
| 902 | L | 82.3 | Confident | 74.3 | Confident | 22 Ų | 22 | 76.6 Ų | 76.6 | 12% | 0.115 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 121.8 | 179 | -77.4 | 170.3 | 0 | 0 | 0 | 111.8 | L861 L864 F898 R904 | L861-L902 HydrophobicContact CB-CD2 4.25Å; L864-L902 HydrophobicContact CD1-CD2 4.31Å; L864-L902 HydrophobicContact CG-CD2 4.09Å; F898-L902 PolarHBondContact O-N 2.89Å; L902-R904 VanDerWaalsContact C-N 3.27Å; L902-R904 PolarHBondContact O-N 2.84Å |
| 903 | L | 77.4 | Confident | 73.2 | Confident | 69 Ų | 69 | 78.2 Ų | 78.2 | 36% | 0.361 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -64.8 | -33.6 | 169.6 | -76.5 | -171.8 | 0 | 0 | 0 | 112.3 | K397 D860 L861 W862 K905 | K397-L903 HydrophobicContact CB-CD1 4.3Å; K397-L903 HydrophobicContact CD-CD1 3.63Å; D860-L903 HydrophobicContact CB-CD1 3.38Å; D860-L903 HydrophobicContact CB-CG 3.76Å; L861-L903 PolarHBondContact O-N 2.91Å; W862-L903 HydrophobicContact CE3-CB 3.99Å; W862-L903 HydrophobicContact CZ3-CB 4.22Å; L903-K905 PolarHBondContact O-N 3.15Å |
| 904 | R | 69.5 | Low | 72.7 | Confident | 73 Ų | 73 | 77.9 Ų | 77.9 | 28% | 0.275 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -76.2 | 74.8 | 179.5 | -170.9 | 172.6 | 174.8 | -90.1 | -0.2 | 110.6 | W862 L902 G906 E911 | W862-R904 HydrophobicContact CD2-CB 4.33Å; W862-R904 HydrophobicContact CE3-CB 4.46Å; W862-R904 HydrophobicContact CH2-CB 4.47Å; W862-R904 HydrophobicContact CZ2-CB 4.33Å; W862-R904 HydrophobicContact CZ2-CG 4.28Å; W862-R904 WeakPolarHBondContact O-CB 3.47Å; L902-R904 VanDerWaalsContact C-N 3.27Å; L902-R904 PolarHBondContact O-N 2.84Å; R904-G906 PolarHBondContact O-N 3.06Å; R904-E911 IonicContact CZ-OE1 3.18Å; R904-E911 IonicContact CZ-OE2 3.58Å; R904-E911 VanDerWaalsContact NH1-CD 3.25Å; R904-E911 IonicContact NH1-OE1 2.6Å; R904-E911 PolarHBondContact NH1-OE1 2.97Å; R904-E911 IonicContact NH1-OE2 2.8Å; R904-E911 PolarHBondContact NH1-OE2 2.84Å; R904-E911 IonicContact NH2-OE1 3.04Å; R904-E911 PolarHBondContact NH2-OE1 3.19Å; R904-E911 IonicContact NH2-OE2 3.29Å; R904-E911 PolarHBondContact NH2-OE2 3.49Å |
| 905 | K | 59.4 | Low | 72.6 | Confident | 172 Ų | 172 | 75.4 Ų | 75.4 | 75% | 0.748 | 42% | 0.415 | S | S | * | . | trans | -60.9 | 125.1 | 171.6 | -64.3 | -173.3 | 177.1 | -171.8 | 0 | 109 | L903 V907 | L903-K905 PolarHBondContact O-N 3.15Å; K905-V907 PolarHBondContact O-N 3.48Å | ||
| 906 | G | 54.2 | Low | 72.8 | Confident | 57 Ų | 57 | 71.5 Ų | 71.5 | 59% | 0.588 | 39% | 0.394 | S | S | * | . | trans | -48.5 | 117.4 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R904 S908 | R904-G906 PolarHBondContact O-N 3.06Å; G906-S908 VanDerWaalsContact C-N 3.27Å | ||
| 907 | V | 48.8 | Very low | 72.9 | Confident | 118 Ų | 118 | 72.8 Ų | 72.8 | 72% | 0.715 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -79.4 | -15.3 | -177.6 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | K905 | K905-V907 PolarHBondContact O-N 3.48Š|
| 908 | S | 51.3 | Low | 73.4 | Confident | 46 Ų | 46 | 70.6 Ų | 70.6 | 32% | 0.322 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -129 | 153.7 | 167 | 73.4 | 0 | 0 | 0 | 0 | 110.9 | G906 E910 | G906-S908 VanDerWaalsContact C-N 3.27Å; S908-E910 PolarHBondContact O-N 3.32Å; S908-E910 PolarHBondContact OG-N 2.81Å |
| 909 | P | 54.1 | Low | 73.9 | Confident | 139 Ų | 139 | 71 Ų | 71 | 90% | 0.903 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 16.6 | 171.1 | 35.3 | -37 | 0 | 0 | 0 | 113.1 | ||
| 910 | E | 53.8 | Low | 74.8 | Confident | 172 Ų | 172 | 68.4 Ų | 68.4 | 80% | 0.804 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | -12.3 | -174.9 | -62.2 | -174.6 | 161.4 | 0 | 0 | 113.3 | S908 | S908-E910 PolarHBondContact O-N 3.32Å; S908-E910 PolarHBondContact OG-N 2.81Å |
| 911 | E | 61.8 | Low | 75.6 | Confident | 86 Ų | 86 | 60.8 Ų | 60.8 | 40% | 0.402 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -74 | 129.4 | 172 | -69.9 | -174.3 | 151.6 | 0 | 0 | 110.4 | R904 | R904-E911 IonicContact CZ-OE1 3.18Å; R904-E911 IonicContact CZ-OE2 3.58Å; R904-E911 VanDerWaalsContact NH1-CD 3.25Å; R904-E911 IonicContact NH1-OE1 2.6Å; R904-E911 PolarHBondContact NH1-OE1 2.97Å; R904-E911 IonicContact NH1-OE2 2.8Å; R904-E911 PolarHBondContact NH1-OE2 2.84Å; R904-E911 IonicContact NH2-OE1 3.04Å; R904-E911 PolarHBondContact NH2-OE1 3.19Å; R904-E911 IonicContact NH2-OE2 3.29Å; R904-E911 PolarHBondContact NH2-OE2 3.49Å |
| 912 | P | 65.7 | Low | 76.5 | Confident | 68 Ų | 68 | 59.1 Ų | 59.1 | 44% | 0.442 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 150.7 | -179.9 | 28.8 | -34.7 | 0 | 0 | 0 | 111.5 | D975 | P912-D975 HydrophobicContact CB-CB 3.86Å; P912-D975 HydrophobicContact CG-CB 3.69Å |
| 913 | P | 72.8 | Confident | 77.2 | Confident | 73 Ų | 73 | 58.1 Ų | 58.1 | 47% | 0.474 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 141.7 | 178.6 | 28.4 | -35.6 | 0 | 0 | 0 | 110.8 | R915 | P913-R915 HydrophobicContact CB-CG 4.23Å; P913-R915 HydrophobicContact CG-CG 4.41Å; P913-R915 PolarHBondContact O-N 2.85Å |
| 914 | S | 83.1 | Confident | 78.1 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 15% | 0.154 | 30% | 0.304 | C | S | . | . | trans | -78.6 | 69.8 | -179.5 | -68.8 | 0 | 0 | 0 | 0 | 111.2 | F898 | F898-S914 PolarHBondContact N-O 2.63Å; F898-S914 VanDerWaalsContact N-O 3.07Å | ||
| 915 | R | 91.9 | Very high | 79.1 | Confident | 81 Ų | 81 | 55.4 Ų | 55.4 | 31% | 0.306 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 139.3 | 178.7 | -72.6 | 176.8 | 169.3 | -112.7 | -16.6 | 111.3 | D895 L896 D897 P913 R973 Q974 | D895-R915 IonicContact OD1-NH1 3.81Å; D895-R915 PolarHBondContact OD1-NH1 3.35Å; L896-R915 CarbonylContact O-C 3.57Å; L896-R915 WeakPolarHBondContact O-CA 3.46Å; D897-R915 HydrophobicContact CB-CG 4.12Å; D897-R915 IonicContact OD2-CZ 2.72Å; D897-R915 IonicContact OD2-NE 2.71Å; D897-R915 PolarHBondContact OD2-NE 2.77Å; D897-R915 IonicContact OD2-NH2 2.96Å; D897-R915 PolarHBondContact OD2-NH2 3.14Å; P913-R915 HydrophobicContact CB-CG 4.23Å; P913-R915 HydrophobicContact CG-CG 4.41Å; P913-R915 PolarHBondContact O-N 2.85Å; R915-R973 CarbonylContact O-C 3.44Å; R915-R973 WeakPolarHBondContact O-CA 3.45Å; R915-R973 WeakPolarHBondContact O-CG 3.42Å; R915-Q974 HydrophobicContact CB-CB 4.4Å; R915-Q974 HydrophobicContact CB-CG 4.13Å; R915-Q974 VanDerWaalsContact CB-OE1 3.27Å; R915-Q974 PolarHBondContact O-N 2.76Å |
| 916 | Y | 94.7 | Very high | 80.4 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 144.3 | -178.2 | -64.4 | -102.1 | 0 | 0 | 0 | 112.5 | L864 P865 L868 D895 L896 F898 H972 R973 | L864-Y916 WeakPolarHBondContact CB-OH 3.34Å; L864-Y916 HydrophobicContact CD1-CE2 4.13Å; P865-Y916 PolarHBondContact O-OH 3.36Å; L868-Y916 HydrophobicContact CB-CD1 4.13Å; L868-Y916 HydrophobicContact CB-CE1 3.76Å; D895-Y916 PolarHBondContact N-O 3.09Å; L896-Y916 PolarHBondContact N-O 2.99Å; L896-Y916 PolarHBondContact O-N 3.21Å; F898-Y916 AromaticContact CD2-CD2 3.71Å; F898-Y916 HydrophobicContact CD2-CD2 3.71Å; F898-Y916 AromaticContact CD2-CE2 3.83Å; F898-Y916 HydrophobicContact CD2-CE2 3.83Å; F898-Y916 AromaticContact CE2-CD2 3.98Å; F898-Y916 HydrophobicContact CE2-CD2 3.98Å; F898-Y916 HydrophobicContact CE2-CE2 4.26Å; Y916-H972 WeakPolarHBondContact CA-O 3.43Å; Y916-R973 HydrophobicContact CD1-CB 3.82Å; Y916-R973 HydrophobicContact CD1-CG 4.01Å; Y916-R973 HydrophobicContact CD2-CG 4.22Å; Y916-R973 HydrophobicContact CE1-CB 3.52Å; Y916-R973 HydrophobicContact CE1-CG 3.61Å; Y916-R973 HydrophobicContact CE2-CG 3.84Å; Y916-R973 HydrophobicContact CG-CB 4.48Å; Y916-R973 HydrophobicContact CG-CG 4.28Å; Y916-R973 VanDerWaalsContact CZ-CD 3.48Å; Y916-R973 WeakPolarHBondContact OH-CD 3.04Å |
| 917 | D | 95.8 | Very high | 81.4 | Confident | 29 Ų | 29 | 48.4 Ų | 48.4 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 143.7 | 168 | -68.8 | -6.6 | 0 | 0 | 0 | 109.6 | R894 D895 Y971 H972 Q974 I977 | R894-D917 VanDerWaalsContact CA-OD1 3.25Å; R894-D917 WeakPolarHBondContact CA-OD1 3.43Å; R894-D917 WeakPolarHBondContact CB-OD1 3.46Å; R894-D917 HydrophobicContact CG-CB 4.36Å; D895-D917 PolarHBondContact N-OD1 3.33Å; D917-Y971 CarbonylContact O-C 3.48Å; D917-Y971 WeakPolarHBondContact O-CA 3.37Å; D917-H972 PolarHBondContact N-O 2.85Å; D917-H972 PolarHBondContact O-N 2.86Å; D917-Q974 PolarHBondContact OD1-NE2 2.83Å; D917-I977 HydrophobicContact CB-CD1 4.25Å |
| 918 | L | 97.7 | Very high | 82.2 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 129.6 | -179 | -173.4 | 79.1 | 0 | 0 | 0 | 109.6 | F891 L893 V921 W945 I961 L969 Y971 | F891-L918 HydrophobicContact CD2-CD2 4.13Å; F891-L918 HydrophobicContact CE2-CD2 3.76Å; L893-L918 HydrophobicContact CD1-CD2 4.23Å; L893-L918 HydrophobicContact CG-CD2 3.98Å; L893-L918 WeakPolarHBondContact O-CB 3.32Å; L893-L918 PolarHBondContact O-N 3.29Å; L918-V921 HydrophobicContact CD1-CG2 4.08Å; L918-V921 HydrophobicContact CD2-CG2 3.74Å; L918-V921 HydrophobicContact CG-CG2 4.24Å; L918-W945 HydrophobicContact CB-CH2 4.45Å; L918-W945 HydrophobicContact CD2-CH2 3.9Å; L918-W945 HydrophobicContact CD2-CZ2 4.37Å; L918-W945 HydrophobicContact CG-CH2 3.98Å; L918-W945 VanDerWaalsContact O-CZ2 3.23Å; L918-W945 WeakPolarHBondContact O-CZ2 3.35Å; L918-I961 HydrophobicContact CD2-CG2 4Å; L918-L969 HydrophobicContact CD1-CB 4.04Å; L918-Y971 HydrophobicContact CB-CD1 4.14Å; L918-Y971 HydrophobicContact CB-CE1 3.73Å; L918-Y971 HydrophobicContact CD1-CD1 4.29Å; L918-Y971 HydrophobicContact CD1-CD2 4.02Å; L918-Y971 HydrophobicContact CD1-CE1 3.91Å; L918-Y971 HydrophobicContact CD1-CE2 3.61Å; L918-Y971 HydrophobicContact CD1-CG 4.34Å; L918-Y971 HydrophobicContact CG-CE1 4.44Å |
| 919 | I | 97.5 | Very high | 83 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | -28.4 | 179.7 | 55.6 | 158.9 | 0 | 0 | 0 | 113.5 | T264 V867 A937 Q938 F970 H972 | T264-I919 HydrophobicContact CG2-CD1 4.41Å; V867-I919 HydrophobicContact CG1-CD1 4.27Å; I919-A937 WeakPolarHBondContact O-CA 3.32Å; I919-Q938 PolarHBondContact O-N 3.41Å; I919-F970 HydrophobicContact CD1-CB 4.3Å; I919-F970 HydrophobicContact CG1-CB 3.87Å; I919-F970 VanDerWaalsContact CG1-O 3.29Å; I919-F970 WeakPolarHBondContact CG1-O 3.4Å; I919-F970 PolarHBondContact N-O 2.66Å; I919-H972 HydrophobicContact CD1-CB 4.24Å; I919-H972 HydrophobicContact CG1-CB 4.44Å; I919-H972 HydrophobicContact CG2-CB 3.77Å |
| 920 | A | 98.4 | Very high | 84 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 160.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C260 Y936 A937 F970 | C260-A920 HydrophobicContact CB-CB 3.95Å; A920-Y936 CarbonylContact C-O 2.96Å; A920-Y936 VanDerWaalsContact CA-O 3.23Å; A920-Y936 WeakPolarHBondContact CA-O 3.12Å; A920-A937 HydrophobicContact CB-CB 3.88Å; A920-F970 HydrophobicContact CB-CB 4.05Å; A920-F970 HydrophobicContact CB-CG 4.41Å; A920-F970 PolarHBondContact N-O 3.08Å; A920-F970 PolarHBondContact O-N 3.26Å |
| 921 | V | 98.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 124.3 | 175.6 | 179 | 0 | 0 | 0 | 0 | 109.1 | F891 L918 N923 S935 Y936 I961 A966 V968 L969 | F891-V921 HydrophobicContact CE2-CG2 4.12Å; F891-V921 HydrophobicContact CZ-CG2 4.34Å; L918-V921 HydrophobicContact CD1-CG2 4.08Å; L918-V921 HydrophobicContact CD2-CG2 3.74Å; L918-V921 HydrophobicContact CG-CG2 4.24Å; V921-N923 WeakPolarHBondContact CG1-OD1 3.27Å; V921-S935 CarbonylContact O-C 3.58Å; V921-S935 WeakPolarHBondContact O-CA 3.29Å; V921-S935 VanDerWaalsContact O-CB 3.26Å; V921-S935 WeakPolarHBondContact O-CB 3.43Å; V921-Y936 PolarHBondContact N-O 2.93Å; V921-Y936 PolarHBondContact O-N 2.9Å; V921-I961 HydrophobicContact CG2-CG2 3.79Å; V921-A966 HydrophobicContact CG1-CB 3.69Å; V921-V968 CarbonylContact C-O 3.56Å; V921-V968 WeakPolarHBondContact CA-O 3.37Å; V921-L969 HydrophobicContact CB-CD2 4.49Å; V921-L969 HydrophobicContact CG1-CD2 3.98Å; V921-L969 HydrophobicContact CG2-CD2 3.89Å |
| 922 | S | 98.3 | Very high | 87 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 127.2 | 161.1 | -178.3 | 0 | 0 | 0 | 0 | 109 | S256 Y967 V968 | S256-S922 WeakPolarHBondContact OG-CB 3.25Å; S256-S922 PolarHBondContact OG-OG 2.96Å; S922-Y967 WeakPolarHBondContact O-CA 3.4Å; S922-Y967 WeakPolarHBondContact O-CB 3.47Å; S922-Y967 PolarHBondContact O-N 3.49Å; S922-V968 PolarHBondContact N-O 3.27Å; S922-V968 PolarHBondContact O-N 3.47Å |
| 923 | N | 97.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 149.6 | 177.4 | -54.4 | -54.8 | 0 | 0 | 0 | 110.3 | V921 Y925 Y933 T934 Y936 A965 | V921-N923 WeakPolarHBondContact CG1-OD1 3.27Å; N923-Y925 HydrophobicContact CB-CE2 3.9Å; N923-Y933 VanDerWaalsContact O-CA 3.25Å; N923-Y933 WeakPolarHBondContact O-CA 3.34Å; N923-Y933 WeakPolarHBondContact O-CD1 3.47Å; N923-T934 PolarHBondContact N-O 3.49Å; N923-T934 PolarHBondContact ND2-OG1 2.89Å; N923-T934 PolarHBondContact O-N 3.26Å; N923-Y936 WeakPolarHBondContact ND2-CD2 3.36Å; N923-A965 CarbonylContact C-O 3.55Å; N923-A965 VanDerWaalsContact CA-O 3.29Å; N923-A965 WeakPolarHBondContact CA-O 3.48Å; N923-A965 HydrophobicContact CB-CB 4.2Å |
| 924 | H | 95.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.009 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 121.2 | 170.1 | -177.4 | -95.4 | 0 | 0 | 0 | 112.7 | F875 K884 G926 Y933 A965 Y967 | F875-H924 AromaticContact CZ-CE1 3.71Å; F875-H924 AromaticContact CZ-ND1 3.64Å; K884-H924 PolarHBondContact NZ-O 3.21Å; H924-G926 PolarHBondContact CE1-O 3.04Å; H924-G926 PolarHBondContact ND1-O 3.38Å; H924-Y933 HydrophobicContact CB-CD1 3.92Å; H924-Y933 HydrophobicContact CB-CE1 3.79Å; H924-Y933 AromaticContact CD2-CD1 3.77Å; H924-Y933 AromaticContact CD2-CD2 3.75Å; H924-Y933 AromaticContact CD2-CE1 3.45Å; H924-Y933 VanDerWaalsContact CD2-CE1 3.45Å; H924-Y933 WeakPolarHBondContact CD2-CE1 3.07Å; H924-Y933 AromaticContact CD2-CE2 3.44Å; H924-Y933 VanDerWaalsContact CD2-CE2 3.44Å; H924-Y933 WeakPolarHBondContact CD2-CE2 3.36Å; H924-Y933 AromaticContact CD2-CG 3.92Å; H924-Y933 AromaticContact CD2-CZ 3.29Å; H924-Y933 AromaticContact CG-CE1 3.89Å; H924-Y933 AromaticContact NE2-CE2 3.98Å; H924-A965 PolarHBondContact N-O 3.38Å; H924-Y967 HydrophobicContact CB-CG 4.46Å |
| 925 | Y | 91.5 | Very high | 90.5 | Very high | 83 Ų | 83 | 36.3 Ų | 36.3 | 33% | 0.325 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 151.1 | 174 | -55.7 | -85.4 | 0 | 0 | 0 | 110.6 | N923 G931 H932 T934 A965 | N923-Y925 HydrophobicContact CB-CE2 3.9Å; Y925-G931 CarbonylContact O-C 3.45Å; Y925-G931 WeakPolarHBondContact O-CA 3.41Å; Y925-H932 PolarHBondContact N-O 2.98Å; Y925-H932 PolarHBondContact O-N 3.34Å; Y925-T934 HydrophobicContact CE2-CG2 4.42Å; Y925-A965 HydrophobicContact CD1-CB 3.81Å; Y925-A965 HydrophobicContact CE1-CB 3.33Å; Y925-A965 HydrophobicContact CE2-CB 4.22Å; Y925-A965 HydrophobicContact CG-CB 4.43Å |
| 926 | G | 86.3 | Confident | 90.8 | Very high | 48 Ų | 48 | 33.3 Ų | 33.3 | 50% | 0.495 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 72 | -159.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K884 H924 | K884-G926 VanDerWaalsContact CD-O 3.3Å; K884-G926 WeakPolarHBondContact CD-O 3.29Å; H924-G926 PolarHBondContact CE1-O 3.04Å; H924-G926 PolarHBondContact ND1-O 3.38Å |
| 927 | G | 74.3 | Confident | 91 | Very high | 35 Ų | 35 | 33.3 Ų | 33.3 | 36% | 0.361 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 160.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R929 D930 G931 | G927-R929 PolarHBondContact O-N 2.99Å; G927-D930 CarbonylContact O-C 3.57Å; G927-D930 VanDerWaalsContact O-C 3.22Å; G927-D930 PolarHBondContact O-N 2.65Å; G927-G931 WeakPolarHBondContact O-CA 3.33Å; G927-G931 PolarHBondContact O-N 3.39Å; G927-G931 VanDerWaalsContact O-N 3.1Å |
| 928 | L | 66 | Low | 91 | Very high | 32 Ų | 32 | 34 Ų | 34 | 17% | 0.168 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -21.3 | -164.7 | -166.7 | 71.6 | 0 | 0 | 0 | 117.2 | F875 Y877 | F875-L928 HydrophobicContact CD1-CB 4.36Å; F875-L928 HydrophobicContact CD1-CD1 4.32Å; F875-L928 HydrophobicContact CD2-CD1 4.01Å; F875-L928 HydrophobicContact CE1-CB 4.11Å; F875-L928 HydrophobicContact CE1-CD1 4.07Å; F875-L928 HydrophobicContact CE2-CD1 3.75Å; F875-L928 HydrophobicContact CG-CD1 4.29Å; F875-L928 HydrophobicContact CZ-CD1 3.77Å; Y877-L928 HydrophobicContact CE1-CD2 3.99Å; Y877-L928 VanDerWaalsContact OH-CD2 3.27Å; Y877-L928 WeakPolarHBondContact OH-CD2 3.44Å |
| 929 | R | 68.9 | Low | 90.9 | Very high | 216 Ų | 216 | 34 Ų | 34 | 82% | 0.815 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -24.5 | 177.8 | -75.6 | -171.4 | 172.5 | -165.5 | -1.1 | 114.8 | G927 | G927-R929 PolarHBondContact O-N 2.99Š|
| 930 | D | 73.7 | Confident | 90.7 | Very high | 148 Ų | 148 | 35.9 Ų | 35.9 | 79% | 0.791 | 18% | 0.184 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 61.1 | -172.7 | -166.2 | 26.8 | 0 | 0 | 0 | 107.5 | G927 | G927-D930 CarbonylContact O-C 3.57Å; G927-D930 VanDerWaalsContact O-C 3.22Å; G927-D930 PolarHBondContact O-N 2.65Å |
| 931 | G | 85.3 | Confident | 90.4 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 7% | 0.072 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 159.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q332 Y925 G927 | Q332-G931 VanDerWaalsContact CD-O 3.27Å; Q332-G931 PolarHBondContact NE2-O 2.84Å; Y925-G931 CarbonylContact O-C 3.45Å; Y925-G931 WeakPolarHBondContact O-CA 3.41Å; G927-G931 WeakPolarHBondContact O-CA 3.33Å; G927-G931 PolarHBondContact O-N 3.39Å; G927-G931 VanDerWaalsContact O-N 3.1Å |
| 932 | H | 94.5 | Very high | 90.1 | Very high | 61 Ų | 61 | 39.5 Ų | 39.5 | 28% | 0.282 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 131.9 | 179.3 | -172 | 49.3 | 0 | 0 | 0 | 110.8 | C252 Y925 D949 D950 | C252-H932 WeakPolarHBondContact CB-ND1 3.49Å; C252-H932 PolarHBondContact SG-ND1 3.38Å; Y925-H932 PolarHBondContact N-O 2.98Å; Y925-H932 PolarHBondContact O-N 3.34Å; H932-D949 IonicContact CD2-OD1 3.22Å; H932-D949 IonicContact CE1-OD1 3.7Å; H932-D949 IonicContact NE2-OD1 3.83Å; H932-D949 PolarHBondContact NE2-OD1 2.94Å; H932-D950 IonicContact CE1-OD2 3.24Å; H932-D950 PolarHBondContact CE1-OD2 2.59Å |
| 933 | Y | 97.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 134.9 | 177.1 | -66.8 | -94.1 | 0 | 0 | 0 | 110.9 | C252 F253 H333 D334 S335 N923 H924 Y967 | C252-Y933 WeakPolarHBondContact CB-O 3.43Å; F253-Y933 HydrophobicContact CB-CD2 3.52Å; F253-Y933 HydrophobicContact CB-CE2 3.55Å; F253-Y933 HydrophobicContact CB-CG 4.14Å; H333-Y933 VanDerWaalsContact O-CE2 3.24Å; H333-Y933 WeakPolarHBondContact O-CE2 3.46Å; H333-Y933 PolarHBondContact O-OH 2.96Å; H333-Y933 VanDerWaalsContact O-OH 3.06Å; D334-Y933 WeakPolarHBondContact CA-OH 3.29Å; S335-Y933 PolarHBondContact N-OH 3.42Å; S335-Y933 WeakPolarHBondContact OG-CE1 3.1Å; N923-Y933 VanDerWaalsContact O-CA 3.25Å; N923-Y933 WeakPolarHBondContact O-CA 3.34Å; N923-Y933 WeakPolarHBondContact O-CD1 3.47Å; H924-Y933 HydrophobicContact CB-CD1 3.92Å; H924-Y933 HydrophobicContact CB-CE1 3.79Å; H924-Y933 AromaticContact CD2-CD1 3.77Å; H924-Y933 AromaticContact CD2-CD2 3.75Å; H924-Y933 AromaticContact CD2-CE1 3.45Å; H924-Y933 VanDerWaalsContact CD2-CE1 3.45Å; H924-Y933 WeakPolarHBondContact CD2-CE1 3.07Å; H924-Y933 AromaticContact CD2-CE2 3.44Å; H924-Y933 VanDerWaalsContact CD2-CE2 3.44Å; H924-Y933 WeakPolarHBondContact CD2-CE2 3.36Å; H924-Y933 AromaticContact CD2-CG 3.92Å; H924-Y933 AromaticContact CD2-CZ 3.29Å; H924-Y933 AromaticContact CG-CE1 3.89Å; H924-Y933 AromaticContact NE2-CE2 3.98Å; Y933-Y967 AromaticContact CE1-CD1 3.91Å; Y933-Y967 HydrophobicContact CE1-CD1 3.91Å; Y933-Y967 HydrophobicContact CE1-CE1 4.13Å |
| 934 | T | 98.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | -179.9 | 169.8 | 69.3 | 0 | 0 | 0 | 0 | 108.8 | S256 N923 Y925 Y947 F948 D949 | S256-T934 PolarHBondContact OG-O 2.84Å; N923-T934 PolarHBondContact N-O 3.49Å; N923-T934 PolarHBondContact ND2-OG1 2.89Å; N923-T934 PolarHBondContact O-N 3.26Å; Y925-T934 HydrophobicContact CE2-CG2 4.42Å; T934-Y947 WeakPolarHBondContact CB-OH 3.5Å; T934-Y947 VanDerWaalsContact CG2-OH 3.31Å; T934-Y947 WeakPolarHBondContact CG2-OH 3.37Å; T934-Y947 WeakPolarHBondContact OG1-CE2 3.38Å; T934-Y947 VanDerWaalsContact OG1-CZ 3.26Å; T934-Y947 PolarHBondContact OG1-OH 2.91Å; T934-F948 WeakPolarHBondContact CA-O 3.41Å; T934-F948 WeakPolarHBondContact CB-O 3.29Å; T934-D949 HydrophobicContact CG2-CB 4.17Å; T934-D949 WeakPolarHBondContact CG2-OD1 3.22Å |
| 935 | S | 98.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 150.1 | 174.2 | 54.6 | 0 | 0 | 0 | 0 | 113 | Q259 V921 Y947 F948 | Q259-S935 WeakPolarHBondContact CB-OG 3.47Å; V921-S935 CarbonylContact O-C 3.58Å; V921-S935 WeakPolarHBondContact O-CA 3.29Å; V921-S935 VanDerWaalsContact O-CB 3.26Å; V921-S935 WeakPolarHBondContact O-CB 3.43Å; S935-Y947 CarbonylContact O-C 3.53Å; S935-Y947 WeakPolarHBondContact O-CA 3.47Å; S935-F948 PolarHBondContact N-O 2.88Å; S935-F948 PolarHBondContact O-N 3.06Å |
| 936 | Y | 98.6 | Very high | 90.1 | Very high | 19 Ų | 19 | 42 Ų | 42 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 140.4 | 158.4 | -68.8 | -72.7 | 0 | 0 | 0 | 108.7 | A920 V921 N923 Y946 Y947 A956 Q960 I961 | A920-Y936 CarbonylContact C-O 2.96Å; A920-Y936 VanDerWaalsContact CA-O 3.23Å; A920-Y936 WeakPolarHBondContact CA-O 3.12Å; V921-Y936 PolarHBondContact N-O 2.93Å; V921-Y936 PolarHBondContact O-N 2.9Å; N923-Y936 WeakPolarHBondContact ND2-CD2 3.36Å; Y936-Y946 CarbonylContact C-O 3.54Å; Y936-Y946 VanDerWaalsContact CA-O 3.29Å; Y936-Y946 WeakPolarHBondContact CA-O 3.44Å; Y936-Y947 AromaticContact CD1-CD2 3.67Å; Y936-Y947 HydrophobicContact CD1-CD2 3.67Å; Y936-Y947 HydrophobicContact CD1-CG 4.28Å; Y936-Y947 HydrophobicContact CD2-CD2 4.39Å; Y936-Y947 AromaticContact CE1-CD2 3.35Å; Y936-Y947 HydrophobicContact CE1-CD2 3.35Å; Y936-Y947 HydrophobicContact CE1-CE2 4.23Å; Y936-Y947 AromaticContact CE1-CG 3.93Å; Y936-Y947 HydrophobicContact CE1-CG 3.93Å; Y936-Y947 HydrophobicContact CE2-CD2 4.13Å; Y936-Y947 HydrophobicContact CE2-CE2 4.33Å; Y936-Y947 HydrophobicContact CG-CD2 4.18Å; Y936-Y947 AromaticContact CZ-CD2 3.61Å; Y936-A956 HydrophobicContact CD1-CB 3.73Å; Y936-A956 HydrophobicContact CE1-CB 3.61Å; Y936-Q960 HydrophobicContact CE1-CB 4.48Å; Y936-Q960 WeakPolarHBondContact CE2-O 3.45Å; Y936-Q960 VanDerWaalsContact CZ-O 3.29Å; Y936-Q960 PolarHBondContact OH-O 3.49Å; Y936-I961 HydrophobicContact CD1-CG1 4.28Å; Y936-I961 HydrophobicContact CD2-CB 4.37Å; Y936-I961 HydrophobicContact CD2-CG1 4.27Å; Y936-I961 HydrophobicContact CD2-CG2 4.2Å; Y936-I961 HydrophobicContact CG-CG1 4.11Å |
| 937 | A | 98.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 150.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N263 I919 A920 Y946 F948 | N263-A937 HydrophobicContact CB-CB 3.63Å; I919-A937 WeakPolarHBondContact O-CA 3.32Å; A920-A937 HydrophobicContact CB-CB 3.88Å; A937-Y946 PolarHBondContact N-O 3.27Å; A937-Y946 PolarHBondContact O-N 2.94Å; A937-F948 HydrophobicContact CB-CD2 4.49Å; A937-F948 HydrophobicContact CB-CE2 3.87Å |
| 938 | Q | 96.9 | Very high | 91.8 | Very high | 44 Ų | 44 | 40.2 Ų | 40.2 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 122.7 | 173 | -162.2 | -177.3 | 26.2 | 0 | 0 | 109.7 | I919 K940 G943 Q944 W945 | I919-Q938 PolarHBondContact O-N 3.41Å; Q938-K940 PolarHBondContact O-N 2.79Å; Q938-G943 PolarHBondContact NE2-O 3.38Å; Q938-Q944 WeakPolarHBondContact CA-O 3.31Å; Q938-W945 HydrophobicContact CB-CD2 3.96Å; Q938-W945 HydrophobicContact CB-CE3 4.27Å; Q938-W945 HydrophobicContact CB-CG 4.48Å; Q938-W945 HydrophobicContact CB-CH2 4.25Å; Q938-W945 HydrophobicContact CB-CZ2 3.94Å; Q938-W945 HydrophobicContact CB-CZ3 4.41Å; Q938-W945 HydrophobicContact CG-CD2 4.4Å; Q938-W945 HydrophobicContact CG-CG 4.47Å |
| 939 | N | 95.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | trans | -74.4 | 119.1 | 177.9 | -177.6 | -94.4 | 0 | 0 | 0 | 110.6 | Q239 P240 V242 W304 D941 N942 G943 Q944 Y946 | Q239-N939 PolarHBondContact NE2-OD1 3.29Å; P240-N939 PolarHBondContact O-ND2 2.7Å; V242-N939 HydrophobicContact CG2-CB 4.5Å; W304-N939 WeakPolarHBondContact CH2-ND2 3.39Å; N939-D941 PolarHBondContact O-N 2.62Å; N939-D941 VanDerWaalsContact O-N 3.13Å; N939-D941 PolarHBondContact OD1-N 3.34Å; N939-N942 WeakPolarHBondContact CB-OD1 3.44Å; N939-N942 PolarHBondContact O-N 3.18Å; N939-N942 PolarHBondContact OD1-N 3.11Å; N939-G943 WeakPolarHBondContact O-CA 3.33Å; N939-G943 PolarHBondContact O-N 3.38Å; N939-Q944 PolarHBondContact N-O 3.39Å; N939-Y946 HydrophobicContact CB-CD2 3.98Å; N939-Y946 HydrophobicContact CB-CE2 3.71Å | ||
| 940 | K | 93.1 | Very high | 94.7 | Very high | 49 Ų | 49 | 31.7 Ų | 31.7 | 21% | 0.213 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.2 | -174.2 | 78.3 | -174.5 | -179.6 | 62.8 | 0 | 115 | P265 E269 W304 Q938 | P265-K940 HydrophobicContact CB-CB 4.4Å; P265-K940 HydrophobicContact CB-CD 4.03Å; P265-K940 HydrophobicContact CG-CB 4.09Å; E269-K940 IonicContact OE1-NZ 3.21Å; W304-K940 HydrophobicContact CH2-CD 4.01Å; W304-K940 HydrophobicContact CH2-CG 3.79Å; W304-K940 HydrophobicContact CZ3-CD 4.16Å; W304-K940 HydrophobicContact CZ3-CG 3.94Å; Q938-K940 PolarHBondContact O-N 2.79Å |
| 941 | D | 91.9 | Very high | 95.8 | Very high | 37 Ų | 37 | 27.3 Ų | 27.3 | 20% | 0.198 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -24.3 | -172.9 | -66 | -23.3 | 0 | 0 | 0 | 113.1 | W304 N939 | W304-D941 WeakPolarHBondContact CZ3-OD2 3.35Å; N939-D941 PolarHBondContact O-N 2.62Å; N939-D941 VanDerWaalsContact O-N 3.13Å; N939-D941 PolarHBondContact OD1-N 3.34Å |
| 942 | N | 92.6 | Very high | 96.3 | Very high | 39 Ų | 39 | 33 Ų | 33 | 21% | 0.209 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | -5.2 | -178.9 | 76 | 15.8 | 0 | 0 | 0 | 115 | N939 Q944 Y946 | N939-N942 WeakPolarHBondContact CB-OD1 3.44Å; N939-N942 PolarHBondContact O-N 3.18Å; N939-N942 PolarHBondContact OD1-N 3.11Å; N942-Q944 PolarHBondContact O-N 3.35Å; N942-Q944 PolarHBondContact O-NE2 2.58Å; N942-Q944 VanDerWaalsContact OD1-CB 3.3Å; N942-Q944 WeakPolarHBondContact OD1-CB 3.44Å; N942-Q944 WeakPolarHBondContact OD1-CG 3.25Å; N942-Q944 PolarHBondContact OD1-N 2.76Å; N942-Y946 PolarHBondContact ND2-OH 3.43Å |
| 943 | G | 90.8 | Very high | 96.5 | Very high | 32 Ų | 32 | 31.9 Ų | 31.9 | 33% | 0.33 | 17% | 0.165 | S | C | . | . | trans | 68.8 | 7.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q938 N939 | Q938-G943 PolarHBondContact NE2-O 3.38Å; N939-G943 WeakPolarHBondContact O-CA 3.33Å; N939-G943 PolarHBondContact O-N 3.38Å | ||
| 944 | Q | 95.6 | Very high | 96.5 | Very high | 67 Ų | 67 | 34.4 Ų | 34.4 | 31% | 0.313 | 18% | 0.18 | S | C | . | . | trans | -87.5 | 151.6 | -179.3 | -54.7 | -49 | -63.7 | 0 | 0 | 111.7 | Q938 N939 N942 Y946 Y955 | Q938-Q944 WeakPolarHBondContact CA-O 3.31Å; N939-Q944 PolarHBondContact N-O 3.39Å; N942-Q944 PolarHBondContact O-N 3.35Å; N942-Q944 PolarHBondContact O-NE2 2.58Å; N942-Q944 VanDerWaalsContact OD1-CB 3.3Å; N942-Q944 WeakPolarHBondContact OD1-CB 3.44Å; N942-Q944 WeakPolarHBondContact OD1-CG 3.25Å; N942-Q944 PolarHBondContact OD1-N 2.76Å; Q944-Y946 HydrophobicContact CB-CE2 3.78Å; Q944-Y955 HydrophobicContact CB-CE2 4.11Å; Q944-Y955 HydrophobicContact CG-CE2 4.45Å | ||
| 945 | W | 97.9 | Very high | 96.4 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 3% | 0.034 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 138.1 | 174.9 | -78.9 | 90.6 | 0 | 0 | 0 | 111.3 | L918 Q938 A956 I961 | L918-W945 HydrophobicContact CB-CH2 4.45Å; L918-W945 HydrophobicContact CD2-CH2 3.9Å; L918-W945 HydrophobicContact CD2-CZ2 4.37Å; L918-W945 HydrophobicContact CG-CH2 3.98Å; L918-W945 VanDerWaalsContact O-CZ2 3.23Å; L918-W945 WeakPolarHBondContact O-CZ2 3.35Å; Q938-W945 HydrophobicContact CB-CD2 3.96Å; Q938-W945 HydrophobicContact CB-CE3 4.27Å; Q938-W945 HydrophobicContact CB-CG 4.48Å; Q938-W945 HydrophobicContact CB-CH2 4.25Å; Q938-W945 HydrophobicContact CB-CZ2 3.94Å; Q938-W945 HydrophobicContact CB-CZ3 4.41Å; Q938-W945 HydrophobicContact CG-CD2 4.4Å; Q938-W945 HydrophobicContact CG-CG 4.47Å; W945-A956 HydrophobicContact CB-CB 4.33Å; W945-A956 PolarHBondContact O-N 3.08Å; W945-I961 HydrophobicContact CD2-CD1 3.4Å; W945-I961 HydrophobicContact CE3-CD1 3.47Å; W945-I961 VanDerWaalsContact CE3-CD1 3.47Å; W945-I961 HydrophobicContact CG-CD1 3.9Å; W945-I961 HydrophobicContact CH2-CD1 4.11Å; W945-I961 HydrophobicContact CZ2-CD1 4.05Å; W945-I961 HydrophobicContact CZ3-CD1 3.83Å |
| 946 | Y | 98.3 | Very high | 96.3 | Very high | 34 Ų | 34 | 41.3 Ų | 41.3 | 13% | 0.133 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146.6 | 177.8 | -63.9 | -89.1 | 0 | 0 | 0 | 110.3 | V242 Y936 A937 N939 N942 Q944 V953 T954 | V242-Y946 HydrophobicContact CG1-CD1 3.76Å; V242-Y946 HydrophobicContact CG1-CE1 3.67Å; V242-Y946 HydrophobicContact CG1-CG 4.32Å; V242-Y946 HydrophobicContact CG2-CD1 4.37Å; V242-Y946 HydrophobicContact CG2-CD2 4.04Å; V242-Y946 HydrophobicContact CG2-CE1 4Å; V242-Y946 HydrophobicContact CG2-CE2 3.64Å; V242-Y946 HydrophobicContact CG2-CG 4.39Å; Y936-Y946 CarbonylContact C-O 3.54Å; Y936-Y946 VanDerWaalsContact CA-O 3.29Å; Y936-Y946 WeakPolarHBondContact CA-O 3.44Å; A937-Y946 PolarHBondContact N-O 3.27Å; A937-Y946 PolarHBondContact O-N 2.94Å; N939-Y946 HydrophobicContact CB-CD2 3.98Å; N939-Y946 HydrophobicContact CB-CE2 3.71Å; N942-Y946 PolarHBondContact ND2-OH 3.43Å; Q944-Y946 HydrophobicContact CB-CE2 3.78Å; Y946-V953 HydrophobicContact CD1-CG1 4.2Å; Y946-V953 HydrophobicContact CG-CG1 4.46Å; Y946-T954 CarbonylContact C-O 3.57Å; Y946-T954 VanDerWaalsContact CA-O 3.31Å; Y946-T954 WeakPolarHBondContact CA-O 3.38Å |
| 947 | Y | 98.6 | Very high | 96.1 | Very high | 42 Ų | 42 | 42.2 Ų | 42.2 | 17% | 0.165 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.7 | 170 | -177 | -110.4 | 0 | 0 | 0 | 109 | T934 S935 Y936 D949 V953 T954 | T934-Y947 WeakPolarHBondContact CB-OH 3.5Å; T934-Y947 VanDerWaalsContact CG2-OH 3.31Å; T934-Y947 WeakPolarHBondContact CG2-OH 3.37Å; T934-Y947 WeakPolarHBondContact OG1-CE2 3.38Å; T934-Y947 VanDerWaalsContact OG1-CZ 3.26Å; T934-Y947 PolarHBondContact OG1-OH 2.91Å; S935-Y947 CarbonylContact O-C 3.53Å; S935-Y947 WeakPolarHBondContact O-CA 3.47Å; Y936-Y947 AromaticContact CD1-CD2 3.67Å; Y936-Y947 HydrophobicContact CD1-CD2 3.67Å; Y936-Y947 HydrophobicContact CD1-CG 4.28Å; Y936-Y947 HydrophobicContact CD2-CD2 4.39Å; Y936-Y947 AromaticContact CE1-CD2 3.35Å; Y936-Y947 HydrophobicContact CE1-CD2 3.35Å; Y936-Y947 HydrophobicContact CE1-CE2 4.23Å; Y936-Y947 AromaticContact CE1-CG 3.93Å; Y936-Y947 HydrophobicContact CE1-CG 3.93Å; Y936-Y947 HydrophobicContact CE2-CD2 4.13Å; Y936-Y947 HydrophobicContact CE2-CE2 4.33Å; Y936-Y947 HydrophobicContact CG-CD2 4.18Å; Y936-Y947 AromaticContact CZ-CD2 3.61Å; Y947-D949 HydrophobicContact CD1-CB 4.22Å; Y947-D949 HydrophobicContact CE1-CB 3.78Å; Y947-V953 WeakPolarHBondContact O-CA 3.29Å; Y947-T954 PolarHBondContact N-O 2.87Å; Y947-T954 PolarHBondContact O-N 2.85Å |
| 948 | F | 98.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 112.7 | -177.9 | -56.4 | -103.3 | 0 | 0 | 0 | 109 | Q259 T934 S935 A937 V953 | Q259-F948 HydrophobicContact CG-CB 3.88Å; Q259-F948 HydrophobicContact CG-CD1 4.21Å; Q259-F948 HydrophobicContact CG-CG 4.06Å; Q259-F948 VanDerWaalsContact NE2-CD1 3.32Å; T934-F948 WeakPolarHBondContact CA-O 3.41Å; T934-F948 WeakPolarHBondContact CB-O 3.29Å; S935-F948 PolarHBondContact N-O 2.88Å; S935-F948 PolarHBondContact O-N 3.06Å; A937-F948 HydrophobicContact CB-CD2 4.49Å; A937-F948 HydrophobicContact CB-CE2 3.87Å; F948-V953 HydrophobicContact CD1-CB 4.24Å; F948-V953 HydrophobicContact CD1-CG1 3.66Å; F948-V953 HydrophobicContact CD1-CG2 3.57Å; F948-V953 HydrophobicContact CE1-CB 4.49Å; F948-V953 HydrophobicContact CE1-CG1 3.61Å; F948-V953 HydrophobicContact CE1-CG2 4Å; F948-V953 HydrophobicContact CG-CG1 4.23Å; F948-V953 HydrophobicContact CG-CG2 4.47Å; F948-V953 HydrophobicContact CZ-CG1 4.12Å |
| 949 | D | 98 | Very high | 95.6 | Very high | 45 Ų | 45 | 50.9 Ų | 50.9 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 85.5 | -177.3 | -175.3 | 16.1 | 0 | 0 | 0 | 107.6 | H932 T934 Y947 S951 K952 | H932-D949 IonicContact CD2-OD1 3.22Å; H932-D949 IonicContact CE1-OD1 3.7Å; H932-D949 IonicContact NE2-OD1 3.83Å; H932-D949 PolarHBondContact NE2-OD1 2.94Å; T934-D949 HydrophobicContact CG2-CB 4.17Å; T934-D949 WeakPolarHBondContact CG2-OD1 3.22Å; Y947-D949 HydrophobicContact CD1-CB 4.22Å; Y947-D949 HydrophobicContact CE1-CB 3.78Å; D949-S951 PolarHBondContact O-N 2.96Å; D949-S951 VanDerWaalsContact O-N 3.1Å; D949-K952 HydrophobicContact CB-CB 4.49Å; D949-K952 PolarHBondContact N-O 3.22Å; D949-K952 WeakPolarHBondContact O-CB 3.49Å; D949-K952 PolarHBondContact O-N 3.35Å |
| 950 | D | 97.7 | Very high | 95.4 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 13% | 0.128 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46 | -112.1 | -164.9 | -69.5 | -40.6 | 0 | 0 | 0 | 112.6 | G244 L245 N247 C252 N255 H932 K952 | G244-D950 CarbonylContact C-O 3.56Å; G244-D950 WeakPolarHBondContact CA-O 3.27Å; L245-D950 PolarHBondContact N-O 3.49Å; L245-D950 CarbonylContact O-C 3.53Å; L245-D950 VanDerWaalsContact O-CA 3.23Å; L245-D950 WeakPolarHBondContact O-CA 3.3Å; L245-D950 WeakPolarHBondContact O-CB 3.23Å; N247-D950 HydrophobicContact CB-CB 4.21Å; N247-D950 WeakPolarHBondContact CB-OD2 3.35Å; N247-D950 PolarHBondContact ND2-OD2 2.91Å; C252-D950 WeakPolarHBondContact CA-OD1 3.43Å; N255-D950 PolarHBondContact ND2-OD1 3.08Å; H932-D950 IonicContact CE1-OD2 3.24Å; H932-D950 PolarHBondContact CE1-OD2 2.59Å; D950-K952 VanDerWaalsContact C-N 3.29Å; D950-K952 PolarHBondContact O-N 3.08Å |
| 951 | S | 95.8 | Very high | 95.5 | Very high | 56 Ų | 56 | 53 Ų | 53 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -7.9 | -177.6 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | L245 S310 D949 | L245-S951 PolarHBondContact O-N 3.39Å; S310-S951 WeakPolarHBondContact OG-CA 3.5Å; S310-S951 WeakPolarHBondContact OG-CB 3.43Å; D949-S951 PolarHBondContact O-N 2.96Å; D949-S951 VanDerWaalsContact O-N 3.1Å |
| 952 | K | 96.7 | Very high | 95.7 | Very high | 125 Ų | 125 | 53.5 Ų | 53.5 | 54% | 0.543 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125.7 | -177.1 | -178.7 | -174.1 | 173.3 | -166.6 | 0 | 109.8 | D949 D950 T954 | D949-K952 HydrophobicContact CB-CB 4.49Å; D949-K952 PolarHBondContact N-O 3.22Å; D949-K952 WeakPolarHBondContact O-CB 3.49Å; D949-K952 PolarHBondContact O-N 3.35Å; D950-K952 VanDerWaalsContact C-N 3.29Å; D950-K952 PolarHBondContact O-N 3.08Å; K952-T954 HydrophobicContact CG-CG2 4.48Å |
| 953 | V | 97.6 | Very high | 95.7 | Very high | 38 Ų | 38 | 53.3 Ų | 53.3 | 23% | 0.23 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132.6 | 174.4 | -167 | 0 | 0 | 0 | 0 | 109.5 | V242 Y946 Y947 F948 | V242-V953 HydrophobicContact CG1-CB 4.41Å; V242-V953 HydrophobicContact CG1-CG1 3.72Å; Y946-V953 HydrophobicContact CD1-CG1 4.2Å; Y946-V953 HydrophobicContact CG-CG1 4.46Å; Y947-V953 WeakPolarHBondContact O-CA 3.29Å; F948-V953 HydrophobicContact CD1-CB 4.24Å; F948-V953 HydrophobicContact CD1-CG1 3.66Å; F948-V953 HydrophobicContact CD1-CG2 3.57Å; F948-V953 HydrophobicContact CE1-CB 4.49Å; F948-V953 HydrophobicContact CE1-CG1 3.61Å; F948-V953 HydrophobicContact CE1-CG2 4Å; F948-V953 HydrophobicContact CG-CG1 4.23Å; F948-V953 HydrophobicContact CG-CG2 4.47Å; F948-V953 HydrophobicContact CZ-CG1 4.12Å |
| 954 | T | 97.1 | Very high | 95.7 | Very high | 56 Ų | 56 | 54.1 Ų | 54.1 | 34% | 0.344 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 153.4 | 178.9 | 46.3 | 0 | 0 | 0 | 0 | 110.9 | Y946 Y947 K952 | Y946-T954 CarbonylContact C-O 3.57Å; Y946-T954 VanDerWaalsContact CA-O 3.31Å; Y946-T954 WeakPolarHBondContact CA-O 3.38Å; Y947-T954 PolarHBondContact N-O 2.87Å; Y947-T954 PolarHBondContact O-N 2.85Å; K952-T954 HydrophobicContact CG-CG2 4.48Å |
| 955 | Y | 96.7 | Very high | 95.7 | Very high | 147 Ų | 147 | 51 Ų | 51 | 58% | 0.576 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 146.8 | 171.3 | -179.7 | -90.4 | 0 | 0 | 0 | 111 | Q944 | Q944-Y955 HydrophobicContact CB-CE2 4.11Å; Q944-Y955 HydrophobicContact CG-CE2 4.45Å |
| 956 | A | 96.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | trans | -129.9 | 144.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y936 W945 | Y936-A956 HydrophobicContact CD1-CB 3.73Å; Y936-A956 HydrophobicContact CE1-CB 3.61Å; W945-A956 HydrophobicContact CB-CB 4.33Å; W945-A956 PolarHBondContact O-N 3.08Å | ||
| 957 | S | 94.8 | Very high | 95.6 | Very high | 37 Ų | 37 | 49 Ų | 49 | 26% | 0.259 | 25% | 0.251 | S | S | . | . | trans | -89 | 158.1 | 165.7 | 85.5 | 0 | 0 | 0 | 0 | 111.1 | D959 Q960 | S957-D959 VanDerWaalsContact CB-OD2 3.29Å; S957-D959 WeakPolarHBondContact CB-OD2 3.41Å; S957-D959 PolarHBondContact O-N 3.49Å; S957-D959 PolarHBondContact OG-OD2 3.28Å; S957-Q960 PolarHBondContact O-N 2.87Å; S957-Q960 VanDerWaalsContact O-N 3.15Å | ||
| 958 | Q | 92.7 | Very high | 95.6 | Very high | 81 Ų | 81 | 47 Ų | 47 | 38% | 0.379 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -62.9 | -29.8 | -177.8 | -73.2 | -176.1 | -6.4 | 0 | 0 | 112.4 | L893 Q960 I961 | L893-Q958 HydrophobicContact CD2-CB 3.57Å; L893-Q958 HydrophobicContact CD2-CG 3.89Å; Q958-Q960 PolarHBondContact O-N 3.39Å; Q958-I961 PolarHBondContact O-N 3.04Å |
| 959 | D | 92.3 | Very high | 95.6 | Very high | 145 Ų | 145 | 46.9 Ų | 46.9 | 78% | 0.775 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -66 | -15.5 | 178.5 | -28.8 | -95.1 | 0 | 0 | 0 | 113.3 | S957 | S957-D959 VanDerWaalsContact CB-OD2 3.29Å; S957-D959 WeakPolarHBondContact CB-OD2 3.41Å; S957-D959 PolarHBondContact O-N 3.49Å; S957-D959 PolarHBondContact OG-OD2 3.28Å |
| 960 | Q | 92 | Very high | 95.6 | Very high | 95 Ų | 95 | 44.9 Ų | 44.9 | 44% | 0.444 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -92.8 | -7.4 | -178 | -57.5 | 179.8 | -67.2 | 0 | 0 | 113.4 | Y936 S957 Q958 | Y936-Q960 HydrophobicContact CE1-CB 4.48Å; Y936-Q960 WeakPolarHBondContact CE2-O 3.45Å; Y936-Q960 VanDerWaalsContact CZ-O 3.29Å; Y936-Q960 PolarHBondContact OH-O 3.49Å; S957-Q960 PolarHBondContact O-N 2.87Å; S957-Q960 VanDerWaalsContact O-N 3.15Å; Q958-Q960 PolarHBondContact O-N 3.39Å |
| 961 | I | 94.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -44.5 | -168.8 | -57.2 | 177.2 | 0 | 0 | 0 | 111.7 | F891 L893 L918 V921 Y936 W945 Q958 T963 | F891-I961 HydrophobicContact CE2-CG2 4.11Å; F891-I961 HydrophobicContact CZ-CG2 4.31Å; L893-I961 HydrophobicContact CD2-CD1 4.05Å; L918-I961 HydrophobicContact CD2-CG2 4Å; V921-I961 HydrophobicContact CG2-CG2 3.79Å; Y936-I961 HydrophobicContact CD1-CG1 4.28Å; Y936-I961 HydrophobicContact CD2-CB 4.37Å; Y936-I961 HydrophobicContact CD2-CG1 4.27Å; Y936-I961 HydrophobicContact CD2-CG2 4.2Å; Y936-I961 HydrophobicContact CG-CG1 4.11Å; W945-I961 HydrophobicContact CD2-CD1 3.4Å; W945-I961 HydrophobicContact CE3-CD1 3.47Å; W945-I961 VanDerWaalsContact CE3-CD1 3.47Å; W945-I961 HydrophobicContact CG-CD1 3.9Å; W945-I961 HydrophobicContact CH2-CD1 4.11Å; W945-I961 HydrophobicContact CZ2-CD1 4.05Å; W945-I961 HydrophobicContact CZ3-CD1 3.83Å; Q958-I961 PolarHBondContact O-N 3.04Å; I961-T963 PolarHBondContact O-N 2.77Å; I961-T963 VanDerWaalsContact O-N 3.13Å |
| 962 | V | 95.6 | Very high | 95.6 | Very high | 47 Ų | 47 | 41.4 Ų | 41.4 | 29% | 0.285 | 21% | 0.209 | S | C | . | . | trans | -77.4 | 101.3 | -177.9 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | F891 L893 | F891-V962 HydrophobicContact CD1-CG1 4.27Å; F891-V962 HydrophobicContact CD2-CG2 4.39Å; F891-V962 HydrophobicContact CE1-CB 4.44Å; F891-V962 HydrophobicContact CE1-CG1 4.1Å; F891-V962 HydrophobicContact CE2-CG2 4.1Å; F891-V962 HydrophobicContact CZ-CB 4.37Å; F891-V962 HydrophobicContact CZ-CG2 4.17Å; L893-V962 HydrophobicContact CD1-CG2 3.54Å | ||
| 963 | T | 93.3 | Very high | 95.4 | Very high | 35 Ų | 35 | 37.5 Ų | 37.5 | 22% | 0.215 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -143.8 | 165.6 | -177.3 | 64.6 | 0 | 0 | 0 | 0 | 111.2 | I961 A965 A966 | I961-T963 PolarHBondContact O-N 2.77Å; I961-T963 VanDerWaalsContact O-N 3.13Å; T963-A965 PolarHBondContact O-N 3.49Å; T963-A965 PolarHBondContact OG1-N 3.2Å; T963-A966 WeakPolarHBondContact O-CB 3.21Å; T963-A966 PolarHBondContact O-N 3.01Å |
| 964 | N | 90.9 | Very high | 95 | Very high | 49 Ų | 49 | 38.7 Ų | 38.7 | 26% | 0.262 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.1 | 169.7 | 64.4 | -23.4 | 0 | 0 | 0 | 113.9 | R874 D886 I888 | R874-N964 PolarHBondContact NE-O 3.12Å; R874-N964 PolarHBondContact NH1-O 3.06Å; R874-N964 PolarHBondContact NH2-O 2.72Å; D886-N964 WeakPolarHBondContact O-CB 3.29Å; I888-N964 HydrophobicContact CG1-CB 3.95Å |
| 965 | A | 94.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -26.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N923 H924 Y925 T963 Y967 | N923-A965 CarbonylContact C-O 3.55Å; N923-A965 VanDerWaalsContact CA-O 3.29Å; N923-A965 WeakPolarHBondContact CA-O 3.48Å; N923-A965 HydrophobicContact CB-CB 4.2Å; H924-A965 PolarHBondContact N-O 3.38Å; Y925-A965 HydrophobicContact CD1-CB 3.81Å; Y925-A965 HydrophobicContact CE1-CB 3.33Å; Y925-A965 HydrophobicContact CE2-CB 4.22Å; Y925-A965 HydrophobicContact CG-CB 4.43Å; T963-A965 PolarHBondContact O-N 3.49Å; T963-A965 PolarHBondContact OG1-N 3.2Å; A965-Y967 PolarHBondContact O-N 3Å |
| 966 | A | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 127.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L872 R874 F891 V921 T963 L969 | L872-A966 WeakPolarHBondContact CD1-O 3.4Å; R874-A966 VanDerWaalsContact CZ-O 3.25Å; R874-A966 PolarHBondContact NE-O 3.26Å; R874-A966 PolarHBondContact NH2-O 3.04Å; F891-A966 HydrophobicContact CE1-CB 3.52Å; F891-A966 HydrophobicContact CZ-CB 3.69Å; V921-A966 HydrophobicContact CG1-CB 3.69Å; T963-A966 WeakPolarHBondContact O-CB 3.21Å; T963-A966 PolarHBondContact O-N 3.01Å; A966-L969 HydrophobicContact CB-CD2 4.28Å |
| 967 | Y | 96.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | -43.6 | -166.6 | 179.2 | -127.2 | 0 | 0 | 0 | 113.5 | D334 Q336 H871 L872 R874 F875 S922 H924 Y933 A965 | D334-Y967 PolarHBondContact OD1-OH 3.21Å; D334-Y967 PolarHBondContact OD2-OH 3.33Å; D334-Y967 VanDerWaalsContact OD2-OH 3.09Å; Q336-Y967 HydrophobicContact CB-CE1 4.37Å; H871-Y967 AromaticContact CD2-CE2 3.42Å; H871-Y967 VanDerWaalsContact CD2-CE2 3.42Å; H871-Y967 WeakPolarHBondContact CD2-CE2 3.36Å; H871-Y967 AromaticContact CD2-CZ 3.57Å; H871-Y967 AromaticContact NE2-CE2 3.33Å; H871-Y967 VanDerWaalsContact NE2-CE2 3.33Å; H871-Y967 WeakPolarHBondContact NE2-CE2 3.43Å; H871-Y967 AromaticContact NE2-CZ 3.41Å; H871-Y967 PolarHBondContact NE2-OH 2.94Å; L872-Y967 PolarHBondContact N-O 2.76Å; L872-Y967 WeakPolarHBondContact O-CD2 3.15Å; L872-Y967 VanDerWaalsContact O-CE2 3.24Å; L872-Y967 WeakPolarHBondContact O-CE2 3.44Å; R874-Y967 HydrophobicContact CB-CD2 4.17Å; R874-Y967 HydrophobicContact CB-CE2 4.22Å; R874-Y967 HydrophobicContact CG-CD2 4.13Å; F875-Y967 HydrophobicContact CD2-CE2 4.21Å; F875-Y967 HydrophobicContact CE2-CE1 4.23Å; F875-Y967 HydrophobicContact CE2-CE2 4.11Å; F875-Y967 AromaticContact CE2-CZ 3.8Å; S922-Y967 WeakPolarHBondContact O-CA 3.4Å; S922-Y967 WeakPolarHBondContact O-CB 3.47Å; S922-Y967 PolarHBondContact O-N 3.49Å; H924-Y967 HydrophobicContact CB-CG 4.46Å; Y933-Y967 AromaticContact CE1-CD1 3.91Å; Y933-Y967 HydrophobicContact CE1-CD1 3.91Å; Y933-Y967 HydrophobicContact CE1-CE1 4.13Å; A965-Y967 PolarHBondContact O-N 3Å |
| 968 | V | 98.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 125.9 | 170.2 | -170.9 | 0 | 0 | 0 | 0 | 109.6 | Q336 L339 I869 I870 H871 V921 S922 F970 | Q336-V968 HydrophobicContact CB-CG2 4.44Å; L339-V968 HydrophobicContact CD2-CG1 4.03Å; I869-V968 HydrophobicContact CG2-CG1 3.59Å; I870-V968 CarbonylContact O-C 3.57Å; I870-V968 WeakPolarHBondContact O-CA 3.24Å; H871-V968 HydrophobicContact CB-CG2 4.26Å; V921-V968 CarbonylContact C-O 3.56Å; V921-V968 WeakPolarHBondContact CA-O 3.37Å; S922-V968 PolarHBondContact N-O 3.27Å; S922-V968 PolarHBondContact O-N 3.47Å; V968-F970 HydrophobicContact CG1-CD2 4.27Å; V968-F970 HydrophobicContact CG1-CE2 3.84Å |
| 969 | L | 98.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 138 | -179.1 | -46.9 | 177.8 | 0 | 0 | 0 | 109.8 | L825 I869 I870 F891 L918 V921 A966 Y971 | L825-L969 HydrophobicContact CD1-CD1 4.24Å; L825-L969 HydrophobicContact CD2-CD1 4.02Å; I869-L969 CarbonylContact C-O 3.6Å; I869-L969 WeakPolarHBondContact CA-O 3.44Å; I870-L969 HydrophobicContact CB-CB 4.36Å; I870-L969 PolarHBondContact N-O 3.44Å; I870-L969 PolarHBondContact O-N 3.46Å; F891-L969 HydrophobicContact CB-CD1 3.89Å; F891-L969 HydrophobicContact CD1-CD1 4.07Å; F891-L969 HydrophobicContact CD1-CD2 4.17Å; F891-L969 HydrophobicContact CD2-CD1 4.09Å; F891-L969 HydrophobicContact CD2-CD2 4.04Å; F891-L969 HydrophobicContact CE1-CD2 3.97Å; F891-L969 HydrophobicContact CE2-CD2 3.82Å; F891-L969 HydrophobicContact CG-CD1 3.76Å; F891-L969 HydrophobicContact CG-CD2 4.22Å; F891-L969 HydrophobicContact CZ-CD2 3.78Å; L918-L969 HydrophobicContact CD1-CB 4.04Å; V921-L969 HydrophobicContact CB-CD2 4.49Å; V921-L969 HydrophobicContact CG1-CD2 3.98Å; V921-L969 HydrophobicContact CG2-CD2 3.89Å; A966-L969 HydrophobicContact CB-CD2 4.28Å; L969-Y971 HydrophobicContact CB-CD2 4.07Å; L969-Y971 HydrophobicContact CB-CE2 3.75Å; L969-Y971 HydrophobicContact CD1-CE2 3.97Å; L969-Y971 HydrophobicContact CG-CE2 4.5Å |
| 970 | F | 98.5 | Very high | 86.9 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 125.9 | 175.1 | -76.8 | -119.9 | 0 | 0 | 0 | 109.3 | C260 L261 L339 I869 I919 A920 V968 | C260-F970 HydrophobicContact CB-CD1 4.27Å; C260-F970 HydrophobicContact CB-CD2 3.75Å; C260-F970 HydrophobicContact CB-CE1 3.99Å; C260-F970 HydrophobicContact CB-CE2 3.44Å; C260-F970 VanDerWaalsContact CB-CE2 3.44Å; C260-F970 HydrophobicContact CB-CG 4.17Å; C260-F970 HydrophobicContact CB-CZ 3.57Å; L261-F970 HydrophobicContact CD2-CE1 4.08Å; L261-F970 HydrophobicContact CG-CE1 4.44Å; L339-F970 HydrophobicContact CD1-CZ 3.96Å; L339-F970 HydrophobicContact CD2-CE2 3.95Å; L339-F970 HydrophobicContact CD2-CZ 3.67Å; L339-F970 HydrophobicContact CG-CZ 4.48Å; I869-F970 HydrophobicContact CD1-CD1 4.19Å; I869-F970 HydrophobicContact CD1-CE1 3.61Å; I869-F970 HydrophobicContact CD1-CZ 3.89Å; I869-F970 HydrophobicContact CG1-CD1 3.84Å; I869-F970 HydrophobicContact CG1-CE1 3.75Å; I869-F970 HydrophobicContact CG1-CE2 4.48Å; I869-F970 HydrophobicContact CG1-CG 4.26Å; I869-F970 HydrophobicContact CG1-CZ 4.09Å; I869-F970 HydrophobicContact CG2-CE2 4.28Å; I869-F970 HydrophobicContact CG2-CZ 4.42Å; I919-F970 HydrophobicContact CD1-CB 4.3Å; I919-F970 HydrophobicContact CG1-CB 3.87Å; I919-F970 VanDerWaalsContact CG1-O 3.29Å; I919-F970 WeakPolarHBondContact CG1-O 3.4Å; I919-F970 PolarHBondContact N-O 2.66Å; A920-F970 HydrophobicContact CB-CB 4.05Å; A920-F970 HydrophobicContact CB-CG 4.41Å; A920-F970 PolarHBondContact N-O 3.08Å; A920-F970 PolarHBondContact O-N 3.26Å; V968-F970 HydrophobicContact CG1-CD2 4.27Å; V968-F970 HydrophobicContact CG1-CE2 3.84Å |
| 971 | Y | 97.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.7 | -171.8 | -87.2 | -77 | 0 | 0 | 0 | 110.7 | L825 V867 L868 I870 P892 L896 D917 L918 L969 | L825-Y971 HydrophobicContact CD2-CE2 4.23Å; V867-Y971 CarbonylContact C-O 3.57Å; V867-Y971 VanDerWaalsContact CA-O 3.28Å; V867-Y971 WeakPolarHBondContact CA-O 3.17Å; L868-Y971 PolarHBondContact N-O 2.94Å; L868-Y971 PolarHBondContact O-N 3.36Å; I870-Y971 HydrophobicContact CD1-CD2 3.94Å; I870-Y971 HydrophobicContact CD1-CE2 4.11Å; I870-Y971 HydrophobicContact CG1-CD2 4.45Å; P892-Y971 WeakPolarHBondContact O-CE1 3.22Å; P892-Y971 PolarHBondContact O-OH 2.81Å; L896-Y971 HydrophobicContact CB-CD1 4.35Å; L896-Y971 HydrophobicContact CB-CE1 3.95Å; L896-Y971 HydrophobicContact CD2-CD1 3.95Å; L896-Y971 HydrophobicContact CD2-CD2 4.07Å; L896-Y971 HydrophobicContact CD2-CE1 3.61Å; L896-Y971 HydrophobicContact CD2-CE2 3.72Å; L896-Y971 HydrophobicContact CD2-CG 4.18Å; L896-Y971 VanDerWaalsContact CD2-CZ 3.49Å; L896-Y971 HydrophobicContact CG-CE1 4.44Å; D917-Y971 CarbonylContact O-C 3.48Å; D917-Y971 WeakPolarHBondContact O-CA 3.37Å; L918-Y971 HydrophobicContact CB-CD1 4.14Å; L918-Y971 HydrophobicContact CB-CE1 3.73Å; L918-Y971 HydrophobicContact CD1-CD1 4.29Å; L918-Y971 HydrophobicContact CD1-CD2 4.02Å; L918-Y971 HydrophobicContact CD1-CE1 3.91Å; L918-Y971 HydrophobicContact CD1-CE2 3.61Å; L918-Y971 HydrophobicContact CD1-CG 4.34Å; L918-Y971 HydrophobicContact CG-CE1 4.44Å; L969-Y971 HydrophobicContact CB-CD2 4.07Å; L969-Y971 HydrophobicContact CB-CE2 3.75Å; L969-Y971 HydrophobicContact CD1-CE2 3.97Å; L969-Y971 HydrophobicContact CG-CE2 4.5Å |
| 972 | H | 95.6 | Very high | 82.1 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 134.9 | 177.3 | -166.9 | -165.9 | 0 | 0 | 0 | 110.7 | E866 Y916 D917 I919 I977 | E866-H972 WeakPolarHBondContact CG-NE2 3.36Å; E866-H972 PolarHBondContact O-CD2 3.14Å; E866-H972 IonicContact OE1-CD2 3.19Å; E866-H972 IonicContact OE1-CE1 3.48Å; E866-H972 IonicContact OE1-NE2 3.97Å; E866-H972 PolarHBondContact OE1-NE2 2.81Å; Y916-H972 WeakPolarHBondContact CA-O 3.43Å; D917-H972 PolarHBondContact N-O 2.85Å; D917-H972 PolarHBondContact O-N 2.86Å; I919-H972 HydrophobicContact CD1-CB 4.24Å; I919-H972 HydrophobicContact CG1-CB 4.44Å; I919-H972 HydrophobicContact CG2-CB 3.77Å; H972-I977 HydrophobicContact CB-CG1 4.41Å |
| 973 | R | 92.9 | Very high | 79.1 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 129.5 | -172 | -146.8 | 172.6 | 72.3 | -164.1 | 9.2 | 112.4 | L864 P865 E866 R915 Y916 D975 K976 I977 | L864-R973 PolarHBondContact O-NH1 2.9Å; P865-R973 PolarHBondContact O-NH1 3.45Å; E866-R973 WeakPolarHBondContact O-CB 3.16Å; E866-R973 PolarHBondContact O-N 3.4Å; R915-R973 CarbonylContact O-C 3.44Å; R915-R973 WeakPolarHBondContact O-CA 3.45Å; R915-R973 WeakPolarHBondContact O-CG 3.42Å; Y916-R973 HydrophobicContact CD1-CB 3.82Å; Y916-R973 HydrophobicContact CD1-CG 4.01Å; Y916-R973 HydrophobicContact CD2-CG 4.22Å; Y916-R973 HydrophobicContact CE1-CB 3.52Å; Y916-R973 HydrophobicContact CE1-CG 3.61Å; Y916-R973 HydrophobicContact CE2-CG 3.84Å; Y916-R973 HydrophobicContact CG-CB 4.48Å; Y916-R973 HydrophobicContact CG-CG 4.28Å; Y916-R973 VanDerWaalsContact CZ-CD 3.48Å; Y916-R973 WeakPolarHBondContact OH-CD 3.04Å; R973-D975 VanDerWaalsContact C-N 3.3Å; R973-D975 VanDerWaalsContact CG-OD1 3.29Å; R973-D975 WeakPolarHBondContact CG-OD1 3.37Å; R973-D975 IonicContact CZ-OD1 3.29Å; R973-D975 IonicContact CZ-OD2 3.54Å; R973-D975 IonicContact NE-OD1 2.84Å; R973-D975 PolarHBondContact NE-OD1 3.08Å; R973-D975 IonicContact NE-OD2 2.91Å; R973-D975 IonicContact NH2-OD1 3.16Å; R973-D975 IonicContact NH2-OD2 3.58Å; R973-D975 PolarHBondContact NH2-OD2 3.39Å; R973-D975 PolarHBondContact O-N 2.77Å; R973-K976 HydrophobicContact CB-CG 4.41Å; R973-K976 VanDerWaalsContact NH2-CE 3.33Å; R973-K976 WeakPolarHBondContact O-CA 3.49Å; R973-K976 WeakPolarHBondContact O-CB 3.17Å; R973-K976 PolarHBondContact O-N 2.59Å; R973-I977 PolarHBondContact O-N 2.89Å |
| 974 | Q | 89.4 | Confident | 76.4 | Confident | 63 Ų | 63 | 61.6 Ų | 61.6 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -30.9 | -168.7 | -71.4 | -179.9 | -10.4 | 0 | 0 | 114.5 | D895 R915 D917 K976 | D895-Q974 PolarHBondContact OD1-NE2 3.31Å; R915-Q974 HydrophobicContact CB-CB 4.4Å; R915-Q974 HydrophobicContact CB-CG 4.13Å; R915-Q974 VanDerWaalsContact CB-OE1 3.27Å; R915-Q974 PolarHBondContact O-N 2.76Å; D917-Q974 PolarHBondContact OD1-NE2 2.83Å; Q974-K976 PolarHBondContact O-N 3.04Å |
| 975 | D | 83.4 | Confident | 73.8 | Confident | 64 Ų | 64 | 64.2 Ų | 64.2 | 34% | 0.342 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -12.7 | 175.3 | 68.2 | -54.7 | 0 | 0 | 0 | 113.7 | P912 R973 | P912-D975 HydrophobicContact CB-CB 3.86Å; P912-D975 HydrophobicContact CG-CB 3.69Å; R973-D975 VanDerWaalsContact C-N 3.3Å; R973-D975 VanDerWaalsContact CG-OD1 3.29Å; R973-D975 WeakPolarHBondContact CG-OD1 3.37Å; R973-D975 IonicContact CZ-OD1 3.29Å; R973-D975 IonicContact CZ-OD2 3.54Å; R973-D975 IonicContact NE-OD1 2.84Å; R973-D975 PolarHBondContact NE-OD1 3.08Å; R973-D975 IonicContact NE-OD2 2.91Å; R973-D975 IonicContact NH2-OD1 3.16Å; R973-D975 IonicContact NH2-OD2 3.58Å; R973-D975 PolarHBondContact NH2-OD2 3.39Å; R973-D975 PolarHBondContact O-N 2.77Å |
| 976 | K | 81.9 | Confident | 70.8 | Confident | 89 Ų | 89 | 69.2 Ų | 69.2 | 39% | 0.387 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -18.3 | -177.6 | -58.7 | -60.6 | -170.6 | 156.4 | 0 | 114 | E866 R973 Q974 R978 | E866-K976 HydrophobicContact CB-CG 4.3Å; E866-K976 HydrophobicContact CG-CB 3.64Å; E866-K976 HydrophobicContact CG-CG 3.72Å; E866-K976 WeakPolarHBondContact OE2-CB 3.41Å; E866-K976 WeakPolarHBondContact OE2-CD 3.07Å; E866-K976 VanDerWaalsContact OE2-CG 3.3Å; E866-K976 WeakPolarHBondContact OE2-CG 3.14Å; R973-K976 HydrophobicContact CB-CG 4.41Å; R973-K976 VanDerWaalsContact NH2-CE 3.33Å; R973-K976 WeakPolarHBondContact O-CA 3.49Å; R973-K976 WeakPolarHBondContact O-CB 3.17Å; R973-K976 PolarHBondContact O-N 2.59Å; Q974-K976 PolarHBondContact O-N 3.04Å; K976-R978 PolarHBondContact O-N 2.99Å |
| 977 | I | 75.4 | Confident | 67.9 | Low | 67 Ų | 67 | 77.7 Ų | 77.7 | 34% | 0.344 | 42% | 0.422 | S | S | . | . | trans | -59.2 | 106.9 | 175.8 | -62.3 | 175.8 | 0 | 0 | 0 | 109.4 | D917 H972 R973 K979 | D917-I977 HydrophobicContact CB-CD1 4.25Å; H972-I977 HydrophobicContact CB-CG1 4.41Å; R973-I977 PolarHBondContact O-N 2.89Å; I977-K979 PolarHBondContact O-N 3.16Å | ||
| 978 | R | 62.7 | Low | 64.7 | Low | 182 Ų | 182 | 82.6 Ų | 82.6 | 69% | 0.687 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 130.4 | 167.9 | -67.3 | 177.6 | 175.5 | 174.2 | -3.3 | 108 | E269 K976 | E269-R978 IonicContact OE2-CZ 2.75Å; E269-R978 IonicContact OE2-NH1 2.87Å; E269-R978 PolarHBondContact OE2-NH1 2.86Å; K976-R978 PolarHBondContact O-N 2.99Å |
| 979 | K | 50 | Low | 61.5 | Low | 195 Ų | 195 | 87.9 Ų | 87.9 | 85% | 0.848 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 134.6 | 174.9 | -68.9 | -176.7 | 178.2 | -179.7 | 0 | 109.3 | I977 | I977-K979 PolarHBondContact O-N 3.16Š|
| 980 | P | 46.6 | Very low | 58.4 | Low | 85 Ų | 85 | 92.7 Ų | 92.7 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 140.5 | -173.9 | 23.5 | -33.9 | 0 | 0 | 0 | 111.5 | L982 | P980-L982 PolarHBondContact O-N 3.04Å; P980-L982 VanDerWaalsContact O-N 3.15Å |
| 981 | T | 44.9 | Very low | 55.1 | Low | 131 Ų | 131 | 97.8 Ų | 97.8 | 80% | 0.804 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -68.2 | -11.8 | -175.1 | -32.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 982 | L | 40.1 | Very low | 51.9 | Low | 108 Ų | 108 | 106.4 Ų | 106.4 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -119.2 | 136.9 | 177.6 | -62.9 | 174.7 | 0 | 0 | 0 | 109.9 | P980 | P980-L982 PolarHBondContact O-N 3.04Å; P980-L982 VanDerWaalsContact O-N 3.15Å |
| 983 | P | 33.5 | Very low | 48.7 | Very low | 120 Ų | 120 | 112.2 Ų | 112.2 | 78% | 0.779 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 139.1 | 170.5 | 29.6 | -33.5 | 0 | 0 | 0 | 109.8 | ||
| 984 | A | 35.1 | Very low | 45.7 | Very low | 84 Ų | 84 | 114.8 Ų | 114.8 | 69% | 0.694 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -57 | 137.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S986 | A984-S986 PolarHBondContact O-N 3.46Š|
| 985 | P | 36.8 | Very low | 43 | Very low | 104 Ų | 104 | 119.5 Ų | 119.5 | 68% | 0.675 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 122.9 | 177.7 | 25.5 | -33.3 | 0 | 0 | 0 | 109.3 | L987 | P985-L987 PolarHBondContact O-N 3.13Š|
| 986 | S | 31.4 | Very low | 40.2 | Very low | 106 Ų | 106 | 123.9 Ų | 123.9 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 127.8 | 177.1 | 47.8 | 0 | 0 | 0 | 0 | 109.8 | A984 S988 | A984-S986 PolarHBondContact O-N 3.46Å; S986-S988 PolarHBondContact O-N 2.7Å |
| 987 | L | 35.5 | Very low | 37.7 | Very low | 178 Ų | 178 | 125 Ų | 125 | 93% | 0.932 | 74% | 0.744 | S | S | * | * | trans | -67.9 | 79 | 174.1 | -81.6 | 157.7 | 0 | 0 | 0 | 110 | P985 S989 | P985-L987 PolarHBondContact O-N 3.13Å; L987-S989 PolarHBondContact O-N 3.41Å | ||
| 988 | S | 30.6 | Very low | 35.4 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -65.5 | 114 | 164.9 | 50.6 | 0 | 0 | 0 | 0 | 108.2 | S986 A990 | S986-S988 PolarHBondContact O-N 2.7Å; S988-A990 PolarHBondContact O-N 3.15Å | ||
| 989 | S | 32.1 | Very low | 33.7 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -60.9 | 109.2 | -178.6 | 43.1 | 0 | 0 | 0 | 0 | 110.7 | L987 S991 | L987-S989 PolarHBondContact O-N 3.41Å; S989-S991 VanDerWaalsContact C-N 3.27Å; S989-S991 PolarHBondContact O-N 3.29Å | ||
| 990 | A | 31.7 | Very low | 32.7 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -70.4 | 83.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S988 Q992 | S988-A990 PolarHBondContact O-N 3.15Å; A990-Q992 PolarHBondContact O-N 3.28Å | ||
| 991 | S | 30.6 | Very low | 31.8 | Very low | 108 Ų | 108 | 123.9 Ų | 123.9 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -59.9 | 124.3 | 171.7 | 55.2 | 0 | 0 | 0 | 0 | 110.1 | S989 | S989-S991 VanDerWaalsContact C-N 3.27Å; S989-S991 PolarHBondContact O-N 3.29Å | ||
| 992 | Q | 30.4 | Very low | 31.1 | Very low | 181 Ų | 181 | 124.5 Ų | 124.5 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -59.2 | 143.6 | 177.1 | -67.8 | 179.3 | -21.7 | 0 | 0 | 111.2 | A990 A994 | A990-Q992 PolarHBondContact O-N 3.28Å; Q992-A994 PolarHBondContact O-N 2.67Å; Q992-A994 VanDerWaalsContact O-N 3.12Å | ||
| 993 | P | 28 | Very low | 30.5 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | trans | -72.7 | 105.7 | 175.1 | 29.8 | -33.1 | 0 | 0 | 0 | 110 | ||||
| 994 | A | 28.7 | Very low | 31.1 | Very low | 97 Ų | 97 | 123 Ų | 123 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -75 | 133.1 | 166 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q992 D996 | Q992-A994 PolarHBondContact O-N 2.67Å; Q992-A994 VanDerWaalsContact O-N 3.12Å; A994-D996 PolarHBondContact O-N 3.13Å | ||
| 995 | N | 32.8 | Very low | 30.7 | Very low | 163 Ų | 163 | 124.2 Ų | 124.2 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -66.1 | 128.9 | 161.4 | -76.8 | -27.4 | 0 | 0 | 0 | 108.8 | ||||
| 996 | D | 26.2 | Very low | 30.3 | Very low | 155 Ų | 155 | 125.5 Ų | 125.5 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | -154.9 | -179.5 | 127.6 | -139 | -28.9 | 0 | 0 | 0 | 112.4 | A994 | A994-D996 PolarHBondContact O-N 3.13Š| |||
| 997 | T | 28.3 | Very low | 30.1 | Very low | 114 Ų | 114 | 124 Ų | 124 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | -121.1 | 173.7 | -158.6 | -31.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 998 | T | 27.9 | Very low | 29.9 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | trans | 75 | 113.4 | 163.3 | 56.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 999 | E | 26.8 | Very low | 29.9 | Very low | 170 Ų | 170 | 123.2 Ų | 123.2 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | 60.1 | 110.5 | 125.7 | -56.8 | -163.1 | 132.6 | 0 | 0 | 122.8 | |||||
| 1000 | T | 28.3 | Very low | 30 | Very low | 138 Ų | 138 | 124.3 Ų | 124.3 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | 52.8 | 114.5 | 133.3 | 63.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1001 | G | 28.2 | Very low | 30.3 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -162 | 133 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1002 | T | 29.8 | Very low | 30.5 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -76 | 152.4 | -179.7 | 43.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1003 | A | 27.2 | Very low | 30.5 | Very low | 89 Ų | 89 | 128.9 Ų | 128.9 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | -64.2 | 177.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1004 | P | 46.3 | Very low | 30.6 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | cis | -147 | 167.3 | 12.3 | 43.1 | -23.7 | 0 | 0 | 0 | 119.4 | ||||
| 1005 | S | 27.7 | Very low | 30.7 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | 64.1 | 158.3 | 138.3 | 69.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1006 | C | 28.8 | Very low | 30.6 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | 80.2 | 139.1 | 166.8 | -148.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 1007 | G | 27.1 | Very low | 30.8 | Very low | 73 Ų | 73 | 127.1 Ų | 127.1 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | cis | 148.5 | 80.8 | -9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1008 | S | 31.2 | Very low | 31 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -153.3 | 125.5 | 161.1 | -159 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1009 | M | 30.5 | Very low | 31.2 | Very low | 155 Ų | 155 | 128.7 Ų | 128.7 | 76% | 0.764 | 82% | 0.819 | S | S | * | * | 57.6 | 109 | 60.2 | -93.6 | 176.3 | 154 | 0 | 0 | 113.6 | |||||
| 1010 | D | 32.7 | Very low | 31.6 | Very low | 136 Ų | 136 | 125.5 Ų | 125.5 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | 53.7 | 133.7 | 145 | -38 | -27.4 | 0 | 0 | 0 | 118.1 | ||||
| 1011 | T | 38.5 | Very low | 31.8 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | cis | -147.4 | 131.9 | 31.9 | 50.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 1012 | D | 34.2 | Very low | 32.2 | Very low | 237 Ų | 237 | 128.5 Ų | 128.5 | 100% | 1.267 | 82% | 0.818 | S | S | * | * | 163.3 | 0 | 128 | -86.7 | -0.7 | 0 | 0 | 0 | 111 |
Retrieved 1,012 of 1,012 residues in 843.2 ms
(Link to these results)