| 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 | 60.4 | Low | 64.7 | Low | 88 Ų | 88 | 117.5 Ų | 117.5 | 43% | 0.433 | 60% | 0.604 | S | S | . | * | 0 | -44 | 0 | -154.5 | 167.1 | -169.5 | 0 | 0 | 110.1 | K4 E5 K29 I30 K33 | M1-K4 PolarHBondContact O-N 3.47Å; M1-E5 PolarHBondContact O-N 3.02Å; M1-E5 VanDerWaalsContact O-N 3.11Å; M1-K29 HydrophobicContact CE-CB 3.97Å; M1-K29 HydrophobicContact CE-CD 4.36Å; M1-K29 HydrophobicContact SD-CB 4.24Å; M1-I30 HydrophobicContact CB-CG1 4.48Å; M1-I30 HydrophobicContact SD-CG1 4.11Å; M1-K33 HydrophobicContact CE-CD 4.28Å; M1-K33 HydrophobicContact SD-CD 4.26Å | |||
| 2 | C | 59.7 | Low | 64.9 | Low | 45 Ų | 45 | 122.7 Ų | 122.7 | 30% | 0.304 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58 | -47.3 | 172.6 | -53.2 | 0 | 0 | 0 | 0 | 113.2 | K4 E5 G6 I7 | C2-K4 PolarHBondContact O-N 3.16Å; C2-E5 PolarHBondContact O-N 2.85Å; C2-G6 PolarHBondContact O-N 3.42Å; C2-I7 PolarHBondContact O-N 3.26Å |
| 3 | E | 61.4 | Low | 65.6 | Low | 181 Ų | 181 | 126.2 Ų | 126.2 | 85% | 0.846 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -63.8 | -40.4 | 175.3 | -68.2 | 168.9 | 167.6 | 0 | 0 | 112.8 | E5 G6 | E3-E5 PolarHBondContact O-N 3.46Å; E3-G6 PolarHBondContact O-N 3.13Å |
| 4 | K | 66.4 | Low | 66.5 | Low | 194 Ų | 194 | 126.2 Ų | 126.2 | 84% | 0.843 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -66 | -19 | 177.5 | -69.6 | -167.1 | 175.5 | -168.7 | 0 | 113.6 | M1 C2 | M1-K4 PolarHBondContact O-N 3.47Å; C2-K4 PolarHBondContact O-N 3.16Å |
| 5 | E | 65.1 | Low | 67.3 | Low | 95 Ų | 95 | 119.7 Ų | 119.7 | 44% | 0.444 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -103.6 | 9.3 | 174.2 | -60.8 | -130.9 | 175.9 | 0 | 0 | 112.2 | M1 C2 E3 I7 K29 | M1-E5 PolarHBondContact O-N 3.02Å; M1-E5 VanDerWaalsContact O-N 3.11Å; C2-E5 PolarHBondContact O-N 2.85Å; E3-E5 PolarHBondContact O-N 3.46Å; E5-I7 HydrophobicContact CB-CD1 4.1Å; E5-I7 HydrophobicContact CB-CG1 4.21Å; E5-I7 WeakPolarHBondContact O-CG1 3.21Å; E5-I7 PolarHBondContact O-N 2.86Å; E5-K29 IonicContact OE1-NZ 2.76Å; E5-K29 PolarHBondContact OE1-NZ 3.06Å; E5-K29 IonicContact OE2-NZ 2.71Å; E5-K29 PolarHBondContact OE2-NZ 3.5Å |
| 6 | G | 63.6 | Low | 68.4 | Low | 67 Ų | 67 | 116.1 Ų | 116.1 | 69% | 0.691 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71 | 13.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | C2 E3 K8 | C2-G6 PolarHBondContact O-N 3.42Å; E3-G6 PolarHBondContact O-N 3.13Å; G6-K8 PolarHBondContact O-N 3.46Å |
| 7 | I | 64 | Low | 69.5 | Low | 57 Ų | 57 | 118.7 Ų | 118.7 | 29% | 0.292 | 60% | 0.604 | S | S | . | * | trans | -95.6 | 100.9 | -173.8 | -52.5 | 174.9 | 0 | 0 | 0 | 108.4 | C2 E5 I22 I26 | C2-I7 PolarHBondContact O-N 3.26Å; E5-I7 HydrophobicContact CB-CD1 4.1Å; E5-I7 HydrophobicContact CB-CG1 4.21Å; E5-I7 WeakPolarHBondContact O-CG1 3.21Å; E5-I7 PolarHBondContact O-N 2.86Å; I7-I22 HydrophobicContact CD1-CG2 3.82Å; I7-I22 HydrophobicContact CG2-CG2 4.18Å; I7-I26 HydrophobicContact CB-CD1 4.18Å; I7-I26 HydrophobicContact CD1-CD1 3.52Å; I7-I26 HydrophobicContact CD1-CG1 4.06Å; I7-I26 HydrophobicContact CG1-CD1 4.41Å; I7-I26 HydrophobicContact CG2-CD1 3.9Å | ||
| 8 | K | 68.8 | Low | 70.5 | Confident | 194 Ų | 194 | 115 Ų | 115 | 84% | 0.843 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 139.1 | 171.5 | -69.2 | -179 | 179.2 | 179.4 | 0 | 109.4 | G6 | G6-K8 PolarHBondContact O-N 3.46Š|
| 9 | M | 66.4 | Low | 71.2 | Confident | 164 Ų | 164 | 113.2 Ų | 113.2 | 81% | 0.808 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 129 | 176.8 | -108.3 | -153.7 | 179.2 | 0 | 0 | 109.2 | L11 | M9-L11 PolarHBondContact O-N 2.89Š|
| 10 | P | 66.6 | Low | 72 | Confident | 41 Ų | 41 | 113 Ų | 113 | 27% | 0.266 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 121.4 | 176.6 | 20.9 | -26.2 | 0 | 0 | 0 | 109.1 | L15 | P10-L15 HydrophobicContact CB-CD2 3.96Å; P10-L15 HydrophobicContact CB-CG 4.25Å; P10-L15 HydrophobicContact CG-CD2 3.5Å; P10-L15 HydrophobicContact CG-CG 4.22Å |
| 11 | L | 68.9 | Low | 72.9 | Confident | 167 Ų | 167 | 116 Ų | 116 | 87% | 0.874 | 58% | 0.583 | S | S | * | * | trans | -90.2 | -11.6 | -175.7 | -76.3 | 157.2 | 0 | 0 | 0 | 113 | M9 | M9-L11 PolarHBondContact O-N 2.89Š| ||
| 12 | K | 67.8 | Low | 74.2 | Confident | 179 Ų | 179 | 115.1 Ų | 115.1 | 78% | 0.778 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -126.7 | 133.6 | -174.9 | -61 | -175.2 | -178.4 | -177.4 | 0 | 109.9 | ||
| 13 | F | 74.1 | Confident | 75.5 | Confident | 168 Ų | 168 | 115.1 Ų | 115.1 | 74% | 0.737 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -112.2 | 149.1 | 174.9 | -70.9 | -95.2 | 0 | 0 | 0 | 108.7 | L15 | F13-L15 HydrophobicContact CD1-CD1 3.32Å; F13-L15 HydrophobicContact CE1-CD1 3.17Å; F13-L15 HydrophobicContact CG-CD1 4.24Å; F13-L15 HydrophobicContact CZ-CD1 4.01Å |
| 14 | P | 77.3 | Confident | 76.9 | Confident | 127 Ų | 127 | 114.2 Ų | 114.2 | 83% | 0.825 | 57% | 0.571 | S | S | * | * | S | Bend | cis | -77.2 | 145.1 | 2 | 30.3 | -33.2 | 0 | 0 | 0 | 113 | ||
| 15 | L | 78.8 | Confident | 78.1 | Confident | 28 Ų | 28 | 113 Ų | 113 | 15% | 0.147 | 56% | 0.561 | C | S | . | * | P | Polyproline II helix | trans | -69.1 | 148.5 | 176.7 | -77.7 | 94 | 0 | 0 | 0 | 110.8 | P10 F13 E19 E20 V23 | P10-L15 HydrophobicContact CB-CD2 3.96Å; P10-L15 HydrophobicContact CB-CG 4.25Å; P10-L15 HydrophobicContact CG-CD2 3.5Å; P10-L15 HydrophobicContact CG-CG 4.22Å; F13-L15 HydrophobicContact CD1-CD1 3.32Å; F13-L15 HydrophobicContact CE1-CD1 3.17Å; F13-L15 HydrophobicContact CG-CD1 4.24Å; F13-L15 HydrophobicContact CZ-CD1 4.01Å; L15-E19 WeakPolarHBondContact CA-OE2 3.34Å; L15-E19 HydrophobicContact CB-CB 4.17Å; L15-E19 HydrophobicContact CD2-CB 3.65Å; L15-E19 HydrophobicContact CG-CB 4.33Å; L15-E20 HydrophobicContact CB-CG 3.8Å; L15-V23 HydrophobicContact CD2-CG2 4.08Å |
| 16 | S | 85.2 | Confident | 79.3 | Confident | 62 Ų | 62 | 109.4 Ų | 109.4 | 43% | 0.434 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 147.4 | 164.8 | 154.3 | 0 | 0 | 0 | 0 | 110.6 | A18 E19 E20 | S16-A18 PolarHBondContact O-N 3.47Å; S16-A18 PolarHBondContact OG-N 2.91Å; S16-A18 VanDerWaalsContact OG-N 3.14Å; S16-E19 PolarHBondContact N-OE2 3.46Å; S16-E19 PolarHBondContact O-N 2.92Å; S16-E20 PolarHBondContact O-N 3.44Å |
| 17 | K | 87.6 | Confident | 80.8 | Confident | 161 Ų | 161 | 114.6 Ų | 114.6 | 70% | 0.7 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -50.9 | -30 | 173 | -70.3 | -173.9 | -176.2 | 179.1 | 0 | 112.6 | R21 | K17-R21 VanDerWaalsContact O-CG 3.28Å; K17-R21 WeakPolarHBondContact O-CG 3.47Å; K17-R21 PolarHBondContact O-N 3.04Å |
| 18 | A | 86.5 | Confident | 82.3 | Confident | 52 Ų | 52 | 118.6 Ų | 118.6 | 43% | 0.43 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -72 | -43 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S16 R21 I22 | S16-A18 PolarHBondContact O-N 3.47Å; S16-A18 PolarHBondContact OG-N 2.91Å; S16-A18 VanDerWaalsContact OG-N 3.14Å; A18-R21 WeakPolarHBondContact O-CB 3.46Å; A18-R21 PolarHBondContact O-N 3.4Å; A18-I22 WeakPolarHBondContact O-CG1 3.47Å; A18-I22 PolarHBondContact O-N 3.26Å; A18-I22 VanDerWaalsContact O-N 3.12Å |
| 19 | E | 83.9 | Confident | 83.5 | Confident | 81 Ų | 81 | 113 Ų | 113 | 38% | 0.379 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.6 | -38.6 | 179.3 | -57.2 | 174.2 | 127.9 | 0 | 0 | 111 | L15 S16 R21 I22 V23 | L15-E19 WeakPolarHBondContact CA-OE2 3.34Å; L15-E19 HydrophobicContact CB-CB 4.17Å; L15-E19 HydrophobicContact CD2-CB 3.65Å; L15-E19 HydrophobicContact CG-CB 4.33Å; S16-E19 PolarHBondContact N-OE2 3.46Å; S16-E19 PolarHBondContact O-N 2.92Å; E19-R21 VanDerWaalsContact C-N 3.32Å; E19-R21 PolarHBondContact O-N 2.81Å; E19-I22 WeakPolarHBondContact O-CB 2.97Å; E19-I22 PolarHBondContact O-N 3.42Å; E19-I22 VanDerWaalsContact O-N 3.12Å; E19-V23 WeakPolarHBondContact O-CG2 3.3Å; E19-V23 PolarHBondContact O-N 3.47Å |
| 20 | E | 88.3 | Confident | 84.8 | Confident | 109 Ų | 109 | 109 Ų | 109 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.3 | -42.4 | 173.1 | -68 | -177 | 161.1 | 0 | 0 | 112.3 | L15 S16 I22 V23 K24 | L15-E20 HydrophobicContact CB-CG 3.8Å; S16-E20 PolarHBondContact O-N 3.44Å; E20-I22 VanDerWaalsContact C-N 3.32Å; E20-I22 PolarHBondContact O-N 3.49Å; E20-V23 PolarHBondContact O-N 3.32Å; E20-K24 WeakPolarHBondContact O-CB 3.35Å; E20-K24 PolarHBondContact O-N 2.92Å |
| 21 | R | 89.5 | Confident | 86.3 | Confident | 177 Ų | 177 | 114.5 Ų | 114.5 | 67% | 0.668 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62 | -41.1 | 175.2 | -70 | 171.3 | -165.2 | -176.7 | 3.4 | 111.4 | K17 A18 E19 K24 R25 | K17-R21 VanDerWaalsContact O-CG 3.28Å; K17-R21 WeakPolarHBondContact O-CG 3.47Å; K17-R21 PolarHBondContact O-N 3.04Å; A18-R21 WeakPolarHBondContact O-CB 3.46Å; A18-R21 PolarHBondContact O-N 3.4Å; E19-R21 VanDerWaalsContact C-N 3.32Å; E19-R21 PolarHBondContact O-N 2.81Å; R21-K24 PolarHBondContact O-N 2.97Å; R21-R25 WeakPolarHBondContact O-CB 3.38Å; R21-R25 PolarHBondContact O-N 3.3Å |
| 22 | I | 88.1 | Confident | 87.6 | Confident | 68 Ų | 68 | 110 Ų | 110 | 35% | 0.349 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -49.8 | 177.3 | -67.9 | 168.2 | 0 | 0 | 0 | 110.1 | I7 A18 E19 E20 K24 R25 I26 | I7-I22 HydrophobicContact CD1-CG2 3.82Å; I7-I22 HydrophobicContact CG2-CG2 4.18Å; A18-I22 WeakPolarHBondContact O-CG1 3.47Å; A18-I22 PolarHBondContact O-N 3.26Å; A18-I22 VanDerWaalsContact O-N 3.12Å; E19-I22 WeakPolarHBondContact O-CB 2.97Å; E19-I22 PolarHBondContact O-N 3.42Å; E19-I22 VanDerWaalsContact O-N 3.12Å; E20-I22 VanDerWaalsContact C-N 3.32Å; E20-I22 PolarHBondContact O-N 3.49Å; I22-K24 VanDerWaalsContact C-N 3.3Å; I22-K24 PolarHBondContact O-N 2.66Å; I22-R25 WeakPolarHBondContact O-CB 3.35Å; I22-R25 PolarHBondContact O-N 3.41Å; I22-R25 VanDerWaalsContact O-N 3.1Å; I22-I26 HydrophobicContact CG2-CD1 3.86Å; I22-I26 HydrophobicContact CG2-CG1 4.4Å; I22-I26 WeakPolarHBondContact O-CG1 3.38Å; I22-I26 PolarHBondContact O-N 3.25Å |
| 23 | V | 87.5 | Confident | 89 | Confident | 45 Ų | 45 | 107.8 Ų | 107.8 | 27% | 0.273 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 177.9 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | L15 E19 E20 R25 I26 R27 | L15-V23 HydrophobicContact CD2-CG2 4.08Å; E19-V23 WeakPolarHBondContact O-CG2 3.3Å; E19-V23 PolarHBondContact O-N 3.47Å; E20-V23 PolarHBondContact O-N 3.32Å; V23-R25 PolarHBondContact O-N 3.24Å; V23-I26 PolarHBondContact O-N 3Å; V23-R27 HydrophobicContact CG1-CG 4.47Å; V23-R27 WeakPolarHBondContact O-CB 3.49Å; V23-R27 WeakPolarHBondContact O-CG 3.4Å; V23-R27 PolarHBondContact O-N 3.49Å |
| 24 | K | 90.8 | Very high | 90 | Very high | 163 Ų | 163 | 108.9 Ų | 108.9 | 71% | 0.709 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.2 | -43 | 176.2 | -168.7 | 174.8 | -176.4 | 176.5 | 0 | 111.8 | E20 R21 I22 R27 R28 | E20-K24 WeakPolarHBondContact O-CB 3.35Å; E20-K24 PolarHBondContact O-N 2.92Å; R21-K24 PolarHBondContact O-N 2.97Å; I22-K24 VanDerWaalsContact C-N 3.3Å; I22-K24 PolarHBondContact O-N 2.66Å; K24-R27 PolarHBondContact O-N 3.11Å; K24-R28 PolarHBondContact O-N 3.13Å |
| 25 | R | 91.5 | Very high | 90.9 | Very high | 167 Ų | 167 | 106 Ų | 106 | 63% | 0.63 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.5 | -44.8 | 176.2 | -171.3 | -174.6 | -65.2 | 168.1 | -1.3 | 111.6 | R21 I22 V23 R28 K29 | R21-R25 WeakPolarHBondContact O-CB 3.38Å; R21-R25 PolarHBondContact O-N 3.3Å; I22-R25 WeakPolarHBondContact O-CB 3.35Å; I22-R25 PolarHBondContact O-N 3.41Å; I22-R25 VanDerWaalsContact O-N 3.1Å; V23-R25 PolarHBondContact O-N 3.24Å; R25-R28 WeakPolarHBondContact O-CB 3.38Å; R25-R28 PolarHBondContact O-N 3.41Å; R25-K29 PolarHBondContact O-N 2.95Å |
| 26 | I | 90.9 | Very high | 91.8 | Very high | 20 Ų | 20 | 106.5 Ų | 106.5 | 10% | 0.103 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 177.7 | -64.7 | 168.9 | 0 | 0 | 0 | 110.7 | I7 I22 V23 R28 K29 I30 | I7-I26 HydrophobicContact CB-CD1 4.18Å; I7-I26 HydrophobicContact CD1-CD1 3.52Å; I7-I26 HydrophobicContact CD1-CG1 4.06Å; I7-I26 HydrophobicContact CG1-CD1 4.41Å; I7-I26 HydrophobicContact CG2-CD1 3.9Å; I22-I26 HydrophobicContact CG2-CD1 3.86Å; I22-I26 HydrophobicContact CG2-CG1 4.4Å; I22-I26 WeakPolarHBondContact O-CG1 3.38Å; I22-I26 PolarHBondContact O-N 3.25Å; V23-I26 PolarHBondContact O-N 3Å; I26-R28 PolarHBondContact O-N 3.01Å; I26-K29 WeakPolarHBondContact O-CB 3.38Å; I26-K29 PolarHBondContact O-N 2.78Å; I26-K29 VanDerWaalsContact O-N 3.1Å; I26-I30 HydrophobicContact CG2-CD1 3.8Å; I26-I30 HydrophobicContact CG2-CG1 4.34Å; I26-I30 WeakPolarHBondContact O-CG1 3.46Å; I26-I30 PolarHBondContact O-N 2.98Å |
| 27 | R | 93.4 | Very high | 92.4 | Very high | 177 Ų | 177 | 109.3 Ų | 109.3 | 67% | 0.668 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -55.8 | -41.2 | 176 | -76.5 | 178 | 170.9 | -172.3 | -1.8 | 111.5 | V23 K24 R31 | V23-R27 HydrophobicContact CG1-CG 4.47Å; V23-R27 WeakPolarHBondContact O-CB 3.49Å; V23-R27 WeakPolarHBondContact O-CG 3.4Å; V23-R27 PolarHBondContact O-N 3.49Å; K24-R27 PolarHBondContact O-N 3.11Å; R27-R31 PolarHBondContact O-N 3.04Å; R27-R31 VanDerWaalsContact O-N 3.09Å |
| 28 | R | 95.5 | Very high | 92.9 | Very high | 141 Ų | 141 | 105.5 Ų | 105.5 | 53% | 0.532 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 175.1 | -176.1 | 59.1 | 169.5 | 175.8 | 0.4 | 112.1 | K24 R25 I26 I30 R31 N32 | K24-R28 PolarHBondContact O-N 3.13Å; R25-R28 WeakPolarHBondContact O-CB 3.38Å; R25-R28 PolarHBondContact O-N 3.41Å; I26-R28 PolarHBondContact O-N 3.01Å; R28-I30 VanDerWaalsContact C-N 3.33Å; R28-I30 PolarHBondContact O-N 3.4Å; R28-R31 PolarHBondContact O-N 3.48Å; R28-N32 PolarHBondContact NE-OD1 2.67Å; R28-N32 WeakPolarHBondContact O-CB 3.25Å; R28-N32 PolarHBondContact O-N 3.38Å |
| 29 | K | 95.2 | Very high | 93.5 | Very high | 75 Ų | 75 | 106 Ų | 106 | 33% | 0.326 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.1 | -44.8 | 175.9 | -77.6 | -175.1 | 172.8 | -172.6 | 0 | 111.7 | M1 E5 R25 I26 N32 K33 | M1-K29 HydrophobicContact CE-CB 3.97Å; M1-K29 HydrophobicContact CE-CD 4.36Å; M1-K29 HydrophobicContact SD-CB 4.24Å; E5-K29 IonicContact OE1-NZ 2.76Å; E5-K29 PolarHBondContact OE1-NZ 3.06Å; E5-K29 IonicContact OE2-NZ 2.71Å; E5-K29 PolarHBondContact OE2-NZ 3.5Å; R25-K29 PolarHBondContact O-N 2.95Å; I26-K29 WeakPolarHBondContact O-CB 3.38Å; I26-K29 PolarHBondContact O-N 2.78Å; I26-K29 VanDerWaalsContact O-N 3.1Å; K29-N32 PolarHBondContact O-N 2.83Å; K29-K33 WeakPolarHBondContact O-CB 3.35Å; K29-K33 PolarHBondContact O-N 2.89Å |
| 30 | I | 94.4 | Very high | 94.2 | Very high | 82 Ų | 82 | 111 Ų | 111 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 178.8 | -67.4 | 168.5 | 0 | 0 | 0 | 110.7 | M1 I26 R28 N32 K33 R34 | M1-I30 HydrophobicContact CB-CG1 4.48Å; M1-I30 HydrophobicContact SD-CG1 4.11Å; I26-I30 HydrophobicContact CG2-CD1 3.8Å; I26-I30 HydrophobicContact CG2-CG1 4.34Å; I26-I30 WeakPolarHBondContact O-CG1 3.46Å; I26-I30 PolarHBondContact O-N 2.98Å; R28-I30 VanDerWaalsContact C-N 3.33Å; R28-I30 PolarHBondContact O-N 3.4Å; I30-N32 PolarHBondContact O-N 2.87Å; I30-K33 PolarHBondContact O-N 3.34Å; I30-R34 PolarHBondContact O-N 3.36Å; I30-R34 VanDerWaalsContact O-N 3.15Å |
| 31 | R | 96.5 | Very high | 94.7 | Very high | 156 Ų | 156 | 112.3 Ų | 112.3 | 59% | 0.589 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61 | -46.9 | 179.3 | -159.6 | -171.7 | -51.5 | 168.2 | 2.8 | 111.4 | R27 R28 K33 R34 S35 | R27-R31 PolarHBondContact O-N 3.04Å; R27-R31 VanDerWaalsContact O-N 3.09Å; R28-R31 PolarHBondContact O-N 3.48Å; R31-K33 VanDerWaalsContact C-N 3.32Å; R31-K33 PolarHBondContact O-N 3.19Å; R31-R34 PolarHBondContact O-N 3.45Å; R31-S35 PolarHBondContact O-N 3.36Å; R31-S35 PolarHBondContact O-OG 2.79Å |
| 32 | N | 97.1 | Very high | 95.1 | Very high | 73 Ų | 73 | 111.4 Ų | 111.4 | 39% | 0.39 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 179 | -76.5 | 6.3 | 0 | 0 | 0 | 112.3 | R28 K29 I30 S35 A36 | R28-N32 PolarHBondContact NE-OD1 2.67Å; R28-N32 WeakPolarHBondContact O-CB 3.25Å; R28-N32 PolarHBondContact O-N 3.38Å; K29-N32 PolarHBondContact O-N 2.83Å; I30-N32 PolarHBondContact O-N 2.87Å; N32-S35 PolarHBondContact O-N 3.3Å; N32-A36 VanDerWaalsContact O-CB 3.29Å; N32-A36 WeakPolarHBondContact O-CB 3.47Å; N32-A36 PolarHBondContact O-N 3.33Å |
| 33 | K | 96.6 | Very high | 95.5 | Very high | 131 Ų | 131 | 115.5 Ų | 115.5 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.9 | -45.6 | 176.3 | -175.2 | 165.2 | -177.2 | 171.5 | 0 | 111.5 | M1 K29 I30 R31 A36 Q37 | M1-K33 HydrophobicContact CE-CD 4.28Å; M1-K33 HydrophobicContact SD-CD 4.26Å; K29-K33 WeakPolarHBondContact O-CB 3.35Å; K29-K33 PolarHBondContact O-N 2.89Å; I30-K33 PolarHBondContact O-N 3.34Å; R31-K33 VanDerWaalsContact C-N 3.32Å; R31-K33 PolarHBondContact O-N 3.19Å; K33-A36 PolarHBondContact O-N 3.23Å; K33-Q37 WeakPolarHBondContact O-CB 3.25Å; K33-Q37 PolarHBondContact O-N 2.96Å |
| 34 | R | 95.8 | Very high | 96 | Very high | 191 Ų | 191 | 118.1 Ų | 118.1 | 72% | 0.721 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.8 | -48 | 174.8 | -175 | -177.5 | -79.9 | -173.6 | -5.3 | 110.9 | I30 R31 A36 Q37 E38 | I30-R34 PolarHBondContact O-N 3.36Å; I30-R34 VanDerWaalsContact O-N 3.15Å; R31-R34 PolarHBondContact O-N 3.45Å; R34-A36 PolarHBondContact O-N 2.94Å; R34-Q37 PolarHBondContact O-N 3.48Å; R34-E38 PolarHBondContact O-N 3.33Å |
| 35 | S | 96.9 | Very high | 96.4 | Very high | 67 Ų | 67 | 113 Ų | 113 | 47% | 0.469 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 179.2 | -63.1 | 0 | 0 | 0 | 0 | 113.1 | R31 N32 E38 S39 | R31-S35 PolarHBondContact O-N 3.36Å; R31-S35 PolarHBondContact O-OG 2.79Å; N32-S35 PolarHBondContact O-N 3.3Å; S35-E38 PolarHBondContact O-N 2.92Å; S35-S39 WeakPolarHBondContact O-CB 3.43Å; S35-S39 PolarHBondContact O-N 2.99Å |
| 36 | A | 97.3 | Very high | 96.7 | Very high | 39 Ų | 39 | 112.2 Ų | 112.2 | 32% | 0.322 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | N32 K33 R34 S39 R40 | N32-A36 VanDerWaalsContact O-CB 3.29Å; N32-A36 WeakPolarHBondContact O-CB 3.47Å; N32-A36 PolarHBondContact O-N 3.33Å; K33-A36 PolarHBondContact O-N 3.23Å; R34-A36 PolarHBondContact O-N 2.94Å; A36-S39 PolarHBondContact O-N 3.44Å; A36-R40 WeakPolarHBondContact O-CG 3.45Å; A36-R40 PolarHBondContact O-N 2.85Å |
| 37 | Q | 98.2 | Very high | 97 | Very high | 120 Ų | 120 | 113.6 Ų | 113.6 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.4 | -48.2 | 175.3 | -175 | 174.3 | -4.4 | 0 | 0 | 111.5 | K33 R34 S39 R40 K41 | K33-Q37 WeakPolarHBondContact O-CB 3.25Å; K33-Q37 PolarHBondContact O-N 2.96Å; R34-Q37 PolarHBondContact O-N 3.48Å; Q37-S39 VanDerWaalsContact C-N 3.28Å; Q37-S39 PolarHBondContact O-N 3.36Å; Q37-R40 PolarHBondContact O-N 3.33Å; Q37-R40 VanDerWaalsContact O-N 3.16Å; Q37-K41 PolarHBondContact O-N 2.76Å |
| 38 | E | 98.1 | Very high | 97.2 | Very high | 81 Ų | 81 | 110 Ų | 110 | 38% | 0.379 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 176.2 | -72.7 | -54.4 | 132.6 | 0 | 0 | 112.2 | R34 S35 K41 R42 | R34-E38 PolarHBondContact O-N 3.33Å; S35-E38 PolarHBondContact O-N 2.92Å; E38-K41 PolarHBondContact O-N 3.43Å; E38-R42 WeakPolarHBondContact O-CG 3.43Å; E38-R42 PolarHBondContact O-N 3.33Å |
| 39 | S | 98.5 | Very high | 97.3 | Very high | 63 Ų | 63 | 105.5 Ų | 105.5 | 44% | 0.441 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 174.4 | -166.5 | 0 | 0 | 0 | 0 | 112.2 | S35 A36 Q37 K43 | S35-S39 WeakPolarHBondContact O-CB 3.43Å; S35-S39 PolarHBondContact O-N 2.99Å; A36-S39 PolarHBondContact O-N 3.44Å; Q37-S39 VanDerWaalsContact C-N 3.28Å; Q37-S39 PolarHBondContact O-N 3.36Å; S39-K43 PolarHBondContact O-N 2.98Å; S39-K43 VanDerWaalsContact O-N 3.13Å |
| 40 | R | 98.3 | Very high | 97.4 | Very high | 185 Ų | 185 | 105.3 Ų | 105.3 | 70% | 0.698 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.7 | -42.5 | 175.1 | -71.7 | 174.8 | -174.1 | 134.9 | -0.5 | 111.2 | A36 Q37 R42 K43 Q44 | A36-R40 WeakPolarHBondContact O-CG 3.45Å; A36-R40 PolarHBondContact O-N 2.85Å; Q37-R40 PolarHBondContact O-N 3.33Å; Q37-R40 VanDerWaalsContact O-N 3.16Å; R40-R42 PolarHBondContact O-N 3.41Å; R40-K43 PolarHBondContact O-N 2.95Å; R40-Q44 WeakPolarHBondContact O-CB 3.37Å; R40-Q44 PolarHBondContact O-N 3.11Å |
| 41 | K | 98.2 | Very high | 97.6 | Very high | 138 Ų | 138 | 106.1 Ų | 106.1 | 60% | 0.6 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.6 | -43.7 | 177.6 | -170.1 | 178 | -179.7 | -177.7 | 0 | 112.1 | Q37 E38 Q44 A45 | Q37-K41 PolarHBondContact O-N 2.76Å; E38-K41 PolarHBondContact O-N 3.43Å; K41-Q44 PolarHBondContact O-N 3.34Å; K41-A45 PolarHBondContact O-N 3.01Å |
| 42 | R | 97.9 | Very high | 97.6 | Very high | 158 Ų | 158 | 105.7 Ų | 105.7 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62 | -44.9 | 174.9 | -75.2 | -168.6 | -64.4 | -91.8 | 2.6 | 112.5 | E38 R40 Q44 A45 Y46 | E38-R42 WeakPolarHBondContact O-CG 3.43Å; E38-R42 PolarHBondContact O-N 3.33Å; R40-R42 PolarHBondContact O-N 3.41Å; R42-Q44 VanDerWaalsContact C-N 3.35Å; R42-A45 PolarHBondContact O-N 2.84Å; R42-Y46 PolarHBondContact O-N 3.35Å |
| 43 | K | 97.8 | Very high | 97.6 | Very high | 153 Ų | 153 | 109.4 Ų | 109.4 | 67% | 0.665 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.6 | -45.1 | 176.9 | -175.2 | 178 | 178.6 | -179 | 0 | 111.1 | S39 R40 Y46 V47 | S39-K43 PolarHBondContact O-N 2.98Å; S39-K43 VanDerWaalsContact O-N 3.13Å; R40-K43 PolarHBondContact O-N 2.95Å; K43-Y46 PolarHBondContact O-N 3.44Å; K43-V47 WeakPolarHBondContact O-CG2 3.48Å; K43-V47 PolarHBondContact O-N 2.93Å |
| 44 | Q | 97.9 | Very high | 97.6 | Very high | 101 Ų | 101 | 107.9 Ų | 107.9 | 47% | 0.472 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.5 | -49.6 | 177.9 | -175.9 | 61.6 | 28.3 | 0 | 0 | 111.4 | R40 K41 R42 Y46 V47 E48 | R40-Q44 WeakPolarHBondContact O-CB 3.37Å; R40-Q44 PolarHBondContact O-N 3.11Å; K41-Q44 PolarHBondContact O-N 3.34Å; R42-Q44 VanDerWaalsContact C-N 3.35Å; Q44-Y46 VanDerWaalsContact C-N 3.29Å; Q44-Y46 PolarHBondContact O-N 2.97Å; Q44-V47 PolarHBondContact O-N 3.31Å; Q44-V47 VanDerWaalsContact O-N 3.16Å; Q44-E48 VanDerWaalsContact CG-OE1 3.29Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.43Å; Q44-E48 PolarHBondContact NE2-OE1 3.32Å; Q44-E48 WeakPolarHBondContact O-CG 3.31Å; Q44-E48 PolarHBondContact O-N 2.92Å |
| 45 | A | 97.9 | Very high | 97.6 | Very high | 54 Ų | 54 | 105.3 Ų | 105.3 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -37 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K41 R42 A49 | K41-A45 PolarHBondContact O-N 3.01Å; R42-A45 PolarHBondContact O-N 2.84Å; A45-A49 WeakPolarHBondContact O-CB 3.26Å; A45-A49 PolarHBondContact O-N 3.07Å |
| 46 | Y | 97.9 | Very high | 97.5 | Very high | 152 Ų | 152 | 105.4 Ų | 105.4 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.3 | -43.7 | 175.5 | 179.6 | -108.5 | 0 | 0 | 0 | 112.1 | R42 K43 Q44 A49 L50 | R42-Y46 PolarHBondContact O-N 3.35Å; K43-Y46 PolarHBondContact O-N 3.44Å; Q44-Y46 VanDerWaalsContact C-N 3.29Å; Q44-Y46 PolarHBondContact O-N 2.97Å; Y46-A49 PolarHBondContact O-N 2.9Å; Y46-L50 HydrophobicContact CD1-CD1 3.89Å; Y46-L50 HydrophobicContact CE1-CD1 3.36Å; Y46-L50 HydrophobicContact CE1-CG 4.19Å; Y46-L50 HydrophobicContact CE2-CD1 4.4Å; Y46-L50 HydrophobicContact CE2-CG 4.41Å; Y46-L50 WeakPolarHBondContact O-CG 3.31Å; Y46-L50 PolarHBondContact O-N 2.88Å |
| 47 | V | 98 | Very high | 97.4 | Very high | 49 Ų | 49 | 107.1 Ų | 107.1 | 30% | 0.297 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 176.9 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | K43 Q44 A49 L50 E51 | K43-V47 WeakPolarHBondContact O-CG2 3.48Å; K43-V47 PolarHBondContact O-N 2.93Å; Q44-V47 PolarHBondContact O-N 3.31Å; Q44-V47 VanDerWaalsContact O-N 3.16Å; V47-A49 VanDerWaalsContact C-N 3.29Å; V47-A49 PolarHBondContact O-N 3.33Å; V47-L50 WeakPolarHBondContact O-CB 3.41Å; V47-L50 PolarHBondContact O-N 3.49Å; V47-L50 VanDerWaalsContact O-N 3.08Å; V47-E51 HydrophobicContact CG1-CG 4.41Å; V47-E51 WeakPolarHBondContact O-CG 3.34Å; V47-E51 PolarHBondContact O-N 2.84Å |
| 48 | E | 97.6 | Very high | 97.2 | Very high | 101 Ų | 101 | 103.7 Ų | 103.7 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.5 | -40.4 | 176.3 | -73.7 | 170.8 | -171 | 0 | 0 | 112.1 | Q44 E51 K52 | Q44-E48 VanDerWaalsContact CG-OE1 3.29Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.43Å; Q44-E48 PolarHBondContact NE2-OE1 3.32Å; Q44-E48 WeakPolarHBondContact O-CG 3.31Å; Q44-E48 PolarHBondContact O-N 2.92Å; E48-E51 PolarHBondContact O-N 3.16Å; E48-K52 WeakPolarHBondContact O-CB 3.48Å; E48-K52 PolarHBondContact O-N 3.08Å |
| 49 | A | 97.7 | Very high | 97 | Very high | 46 Ų | 46 | 105.1 Ų | 105.1 | 38% | 0.38 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A45 Y46 V47 K52 K53 | A45-A49 WeakPolarHBondContact O-CB 3.26Å; A45-A49 PolarHBondContact O-N 3.07Å; Y46-A49 PolarHBondContact O-N 2.9Å; V47-A49 VanDerWaalsContact C-N 3.29Å; V47-A49 PolarHBondContact O-N 3.33Å; A49-K52 PolarHBondContact O-N 3.36Å; A49-K53 WeakPolarHBondContact O-CG 3.29Å; A49-K53 PolarHBondContact O-N 3.45Å; A49-K53 VanDerWaalsContact O-N 3.07Å |
| 50 | L | 97.6 | Very high | 96.8 | Very high | 71 Ų | 71 | 107.4 Ų | 107.4 | 37% | 0.372 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.7 | -46.4 | 174.9 | -73.6 | 173.3 | 0 | 0 | 0 | 111.7 | Y46 V47 K52 K53 V54 | Y46-L50 HydrophobicContact CD1-CD1 3.89Å; Y46-L50 HydrophobicContact CE1-CD1 3.36Å; Y46-L50 HydrophobicContact CE1-CG 4.19Å; Y46-L50 HydrophobicContact CE2-CD1 4.4Å; Y46-L50 HydrophobicContact CE2-CG 4.41Å; Y46-L50 WeakPolarHBondContact O-CG 3.31Å; Y46-L50 PolarHBondContact O-N 2.88Å; V47-L50 WeakPolarHBondContact O-CB 3.41Å; V47-L50 PolarHBondContact O-N 3.49Å; V47-L50 VanDerWaalsContact O-N 3.08Å; L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 PolarHBondContact O-N 3.01Å; L50-K53 PolarHBondContact O-N 3.43Å; L50-K53 VanDerWaalsContact O-N 3.11Å; L50-V54 WeakPolarHBondContact O-CG2 3.37Å; L50-V54 PolarHBondContact O-N 3.06Å |
| 51 | E | 97.4 | Very high | 96.4 | Very high | 100 Ų | 100 | 101.5 Ų | 101.5 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.1 | -41.2 | 176.6 | -72.1 | 178.8 | -174.8 | 0 | 0 | 111.5 | V47 E48 V54 K55 | V47-E51 HydrophobicContact CG1-CG 4.41Å; V47-E51 WeakPolarHBondContact O-CG 3.34Å; V47-E51 PolarHBondContact O-N 2.84Å; E48-E51 PolarHBondContact O-N 3.16Å; E51-V54 PolarHBondContact O-N 3.47Å; E51-K55 WeakPolarHBondContact O-CB 3.34Å; E51-K55 VanDerWaalsContact O-CG 3.29Å; E51-K55 WeakPolarHBondContact O-CG 3.44Å; E51-K55 PolarHBondContact O-N 2.89Å |
| 52 | K | 97.2 | Very high | 96.2 | Very high | 147 Ų | 147 | 100.1 Ų | 100.1 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.3 | -45 | 175 | -172.8 | 175.6 | -180 | 179.2 | 0 | 111.7 | E48 A49 L50 K55 C56 | E48-K52 WeakPolarHBondContact O-CB 3.48Å; E48-K52 PolarHBondContact O-N 3.08Å; A49-K52 PolarHBondContact O-N 3.36Å; L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 PolarHBondContact O-N 3.01Å; K52-K55 PolarHBondContact O-N 2.98Å; K52-C56 PolarHBondContact O-N 3.38Å; K52-C56 PolarHBondContact O-SG 3.27Å; K52-C56 VanDerWaalsContact O-SG 3.33Å |
| 53 | K | 97.1 | Very high | 95.8 | Very high | 150 Ų | 150 | 96 Ų | 96 | 65% | 0.652 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.5 | -44.2 | 177.2 | -74.3 | 178.7 | -179.5 | -175.6 | 0 | 112.2 | A49 L50 C56 C57 | A49-K53 WeakPolarHBondContact O-CG 3.29Å; A49-K53 PolarHBondContact O-N 3.45Å; A49-K53 VanDerWaalsContact O-N 3.07Å; L50-K53 PolarHBondContact O-N 3.43Å; L50-K53 VanDerWaalsContact O-N 3.11Å; K53-C56 PolarHBondContact O-N 2.89Å; K53-C57 WeakPolarHBondContact O-CB 3.34Å; K53-C57 PolarHBondContact O-N 3.26Å |
| 54 | V | 96.6 | Very high | 95.3 | Very high | 100 Ų | 100 | 95.1 Ų | 95.1 | 61% | 0.606 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 177.6 | 173 | 0 | 0 | 0 | 0 | 110.7 | L50 E51 C56 C57 A58 | L50-V54 WeakPolarHBondContact O-CG2 3.37Å; L50-V54 PolarHBondContact O-N 3.06Å; E51-V54 PolarHBondContact O-N 3.47Å; V54-C56 PolarHBondContact O-N 3Å; V54-C57 PolarHBondContact O-N 2.93Å; V54-A58 WeakPolarHBondContact O-CB 3.41Å; V54-A58 PolarHBondContact O-N 3.33Å |
| 55 | K | 96.2 | Very high | 94.7 | Very high | 136 Ų | 136 | 95 Ų | 95 | 59% | 0.591 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60 | -45.5 | 175.6 | -73.6 | 172.4 | -177 | 174.5 | 0 | 112 | E51 K52 A58 L59 | E51-K55 WeakPolarHBondContact O-CB 3.34Å; E51-K55 VanDerWaalsContact O-CG 3.29Å; E51-K55 WeakPolarHBondContact O-CG 3.44Å; E51-K55 PolarHBondContact O-N 2.89Å; K52-K55 PolarHBondContact O-N 2.98Å; K55-A58 PolarHBondContact O-N 2.98Å; K55-L59 WeakPolarHBondContact O-CG 3.42Å; K55-L59 PolarHBondContact O-N 3.22Å |
| 56 | C | 95.2 | Very high | 94.1 | Very high | 70 Ų | 70 | 97.3 Ų | 97.3 | 47% | 0.473 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 176.1 | -70.9 | 0 | 0 | 0 | 0 | 111.8 | K52 K53 V54 A58 L59 E60 | K52-C56 PolarHBondContact O-N 3.38Å; K52-C56 PolarHBondContact O-SG 3.27Å; K52-C56 VanDerWaalsContact O-SG 3.33Å; K53-C56 PolarHBondContact O-N 2.89Å; V54-C56 PolarHBondContact O-N 3Å; C56-A58 VanDerWaalsContact C-N 3.34Å; C56-A58 PolarHBondContact O-N 3.46Å; C56-L59 PolarHBondContact O-N 3.04Å; C56-E60 WeakPolarHBondContact O-CB 3.45Å; C56-E60 PolarHBondContact O-N 3.01Å |
| 57 | C | 93.8 | Very high | 93.3 | Very high | 74 Ų | 74 | 98.4 Ų | 98.4 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 178.4 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | K53 V54 E60 T61 | K53-C57 WeakPolarHBondContact O-CB 3.34Å; K53-C57 PolarHBondContact O-N 3.26Å; V54-C57 PolarHBondContact O-N 2.93Å; C57-E60 PolarHBondContact O-N 3.37Å; C57-T61 VanDerWaalsContact O-CB 3.31Å; C57-T61 WeakPolarHBondContact O-CB 3.45Å; C57-T61 PolarHBondContact O-N 3.43Å; C57-T61 PolarHBondContact O-OG1 3.13Å |
| 58 | A | 94.4 | Very high | 92.4 | Very high | 48 Ų | 48 | 101.8 Ų | 101.8 | 40% | 0.397 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | V54 K55 C56 T61 Q62 | V54-A58 WeakPolarHBondContact O-CB 3.41Å; V54-A58 PolarHBondContact O-N 3.33Å; K55-A58 PolarHBondContact O-N 2.98Å; C56-A58 VanDerWaalsContact C-N 3.34Å; C56-A58 PolarHBondContact O-N 3.46Å; A58-T61 PolarHBondContact O-N 2.94Å; A58-Q62 WeakPolarHBondContact O-CG 3.4Å; A58-Q62 PolarHBondContact O-N 3.18Å |
| 59 | L | 94.5 | Very high | 91.3 | Very high | 112 Ų | 112 | 104.4 Ų | 104.4 | 59% | 0.586 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.4 | -47.6 | 174.8 | -72.4 | 171.5 | 0 | 0 | 0 | 111.2 | K55 C56 T61 Q62 T63 | K55-L59 WeakPolarHBondContact O-CG 3.42Å; K55-L59 PolarHBondContact O-N 3.22Å; C56-L59 PolarHBondContact O-N 3.04Å; L59-T61 VanDerWaalsContact C-N 3.34Å; L59-T61 PolarHBondContact O-N 3.42Å; L59-Q62 WeakPolarHBondContact O-CB 3.29Å; L59-Q62 PolarHBondContact O-N 3.16Å; L59-T63 WeakPolarHBondContact O-CG2 3.43Å; L59-T63 PolarHBondContact O-N 3.48Å |
| 60 | E | 93.3 | Very high | 89.6 | Confident | 110 Ų | 110 | 107 Ų | 107 | 51% | 0.514 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 178 | -175.9 | 173.3 | -172.9 | 0 | 0 | 111 | C56 C57 Q62 T63 W64 | C56-E60 WeakPolarHBondContact O-CB 3.45Å; C56-E60 PolarHBondContact O-N 3.01Å; C57-E60 PolarHBondContact O-N 3.37Å; E60-Q62 VanDerWaalsContact C-N 3.3Å; E60-Q62 PolarHBondContact O-N 2.94Å; E60-T63 PolarHBondContact O-N 3.29Å; E60-T63 PolarHBondContact O-OG1 2.84Å; E60-W64 VanDerWaalsContact CG-NE1 3.34Å; E60-W64 PolarHBondContact O-N 3.35Å; E60-W64 PolarHBondContact OE1-NE1 3.31Å |
| 61 | T | 91.4 | Very high | 87.9 | Confident | 61 Ų | 61 | 107.3 Ų | 107.3 | 37% | 0.374 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.2 | -43.2 | 175.5 | -59 | 0 | 0 | 0 | 0 | 111.5 | C57 A58 L59 T63 W64 Q65 | C57-T61 VanDerWaalsContact O-CB 3.31Å; C57-T61 WeakPolarHBondContact O-CB 3.45Å; C57-T61 PolarHBondContact O-N 3.43Å; C57-T61 PolarHBondContact O-OG1 3.13Å; A58-T61 PolarHBondContact O-N 2.94Å; L59-T61 VanDerWaalsContact C-N 3.34Å; L59-T61 PolarHBondContact O-N 3.42Å; T61-T63 PolarHBondContact O-N 3.48Å; T61-W64 PolarHBondContact O-N 2.93Å; T61-Q65 HydrophobicContact CG2-CG 4.34Å; T61-Q65 WeakPolarHBondContact O-CB 3.43Å; T61-Q65 VanDerWaalsContact O-CG 3.26Å; T61-Q65 WeakPolarHBondContact O-CG 3.41Å; T61-Q65 PolarHBondContact O-N 3.03Å |
| 62 | Q | 92.1 | Very high | 86.1 | Confident | 109 Ų | 109 | 113.3 Ų | 113.3 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.9 | -41.6 | 175.2 | -76 | -176.6 | 3.3 | 0 | 0 | 112.2 | A58 L59 E60 W64 Q65 N66 | A58-Q62 WeakPolarHBondContact O-CG 3.4Å; A58-Q62 PolarHBondContact O-N 3.18Å; L59-Q62 WeakPolarHBondContact O-CB 3.29Å; L59-Q62 PolarHBondContact O-N 3.16Å; E60-Q62 VanDerWaalsContact C-N 3.3Å; E60-Q62 PolarHBondContact O-N 2.94Å; Q62-W64 PolarHBondContact O-N 3.4Å; Q62-Q65 PolarHBondContact O-N 3.25Å; Q62-N66 WeakPolarHBondContact O-CB 3.37Å; Q62-N66 PolarHBondContact O-N 3.15Å; Q62-N66 PolarHBondContact O-ND2 3.32Å |
| 63 | T | 90.7 | Very high | 84.1 | Confident | 71 Ų | 71 | 109.6 Ų | 109.6 | 44% | 0.436 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.1 | -42 | 177 | 64 | 0 | 0 | 0 | 0 | 111.9 | L59 E60 T61 N66 R67 | L59-T63 WeakPolarHBondContact O-CG2 3.43Å; L59-T63 PolarHBondContact O-N 3.48Å; E60-T63 PolarHBondContact O-N 3.29Å; E60-T63 PolarHBondContact O-OG1 2.84Å; T61-T63 PolarHBondContact O-N 3.48Å; T63-N66 PolarHBondContact O-N 3.09Å; T63-R67 WeakPolarHBondContact O-CG 3.36Å; T63-R67 PolarHBondContact O-N 2.91Å |
| 64 | W | 86 | Confident | 82.2 | Confident | 136 Ų | 136 | 109.6 Ų | 109.6 | 52% | 0.515 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65 | -44.7 | 174.7 | -71.4 | 117.8 | 0 | 0 | 0 | 111.6 | E60 T61 Q62 N66 R67 V68 | E60-W64 VanDerWaalsContact CG-NE1 3.34Å; E60-W64 PolarHBondContact O-N 3.35Å; E60-W64 PolarHBondContact OE1-NE1 3.31Å; T61-W64 PolarHBondContact O-N 2.93Å; Q62-W64 PolarHBondContact O-N 3.4Å; W64-N66 VanDerWaalsContact C-N 3.3Å; W64-N66 PolarHBondContact O-N 3.2Å; W64-R67 WeakPolarHBondContact O-CB 3.38Å; W64-R67 PolarHBondContact O-N 2.91Å; W64-R67 VanDerWaalsContact O-N 3.11Å; W64-V68 WeakPolarHBondContact O-CG2 3.48Å; W64-V68 PolarHBondContact O-N 3.11Å |
| 65 | Q | 86.9 | Confident | 80.6 | Confident | 98 Ų | 98 | 107.8 Ų | 107.8 | 46% | 0.458 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.9 | -41 | 175.4 | -76.9 | -179.4 | -0.3 | 0 | 0 | 111.9 | T61 Q62 R67 V68 K69 | T61-Q65 HydrophobicContact CG2-CG 4.34Å; T61-Q65 WeakPolarHBondContact O-CB 3.43Å; T61-Q65 VanDerWaalsContact O-CG 3.26Å; T61-Q65 WeakPolarHBondContact O-CG 3.41Å; T61-Q65 PolarHBondContact O-N 3.03Å; Q62-Q65 PolarHBondContact O-N 3.25Å; Q65-R67 VanDerWaalsContact C-N 3.34Å; Q65-V68 PolarHBondContact O-N 3.1Å; Q65-K69 VanDerWaalsContact O-CB 3.25Å; Q65-K69 WeakPolarHBondContact O-CB 3.39Å; Q65-K69 VanDerWaalsContact O-CG 3.31Å; Q65-K69 WeakPolarHBondContact O-CG 3.46Å; Q65-K69 PolarHBondContact O-N 3.23Å |
| 66 | N | 85.3 | Confident | 79.3 | Confident | 103 Ų | 103 | 105.2 Ų | 105.2 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.3 | -36.6 | 176.4 | -70.9 | -17.7 | 0 | 0 | 0 | 112 | Q62 T63 W64 M70 | Q62-N66 WeakPolarHBondContact O-CB 3.37Å; Q62-N66 PolarHBondContact O-N 3.15Å; Q62-N66 PolarHBondContact O-ND2 3.32Å; T63-N66 PolarHBondContact O-N 3.09Å; W64-N66 VanDerWaalsContact C-N 3.3Å; W64-N66 PolarHBondContact O-N 3.2Å; N66-M70 PolarHBondContact O-N 3.45Å; N66-M70 VanDerWaalsContact O-N 3.13Å |
| 67 | R | 80.4 | Confident | 78.2 | Confident | 174 Ų | 174 | 110.5 Ų | 110.5 | 66% | 0.657 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.3 | -36.4 | 173.6 | -70.6 | 177.2 | -172.2 | -141.1 | 3.9 | 112.6 | T63 W64 Q65 M70 | T63-R67 WeakPolarHBondContact O-CG 3.36Å; T63-R67 PolarHBondContact O-N 2.91Å; W64-R67 WeakPolarHBondContact O-CB 3.38Å; W64-R67 PolarHBondContact O-N 2.91Å; W64-R67 VanDerWaalsContact O-N 3.11Å; Q65-R67 VanDerWaalsContact C-N 3.34Å; R67-M70 WeakPolarHBondContact O-CB 3.29Å |
| 68 | V | 79.4 | Confident | 77.3 | Confident | 120 Ų | 120 | 110.4 Ų | 110.4 | 73% | 0.727 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -76.9 | -36.1 | 177.5 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | W64 Q65 M70 | W64-V68 WeakPolarHBondContact O-CG2 3.48Å; W64-V68 PolarHBondContact O-N 3.11Å; Q65-V68 PolarHBondContact O-N 3.1Å; V68-M70 PolarHBondContact O-N 3.28Å |
| 69 | K | 73.5 | Confident | 76.5 | Confident | 157 Ų | 157 | 112 Ų | 112 | 68% | 0.683 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.2 | -16.8 | 175.8 | -79.2 | -178.1 | 178.3 | 179.7 | 0 | 113.4 | Q65 P71 | Q65-K69 VanDerWaalsContact O-CB 3.25Å; Q65-K69 WeakPolarHBondContact O-CB 3.39Å; Q65-K69 VanDerWaalsContact O-CG 3.31Å; Q65-K69 WeakPolarHBondContact O-CG 3.46Å; Q65-K69 PolarHBondContact O-N 3.23Å; K69-P71 VanDerWaalsContact O-CD 3.25Å; K69-P71 WeakPolarHBondContact O-CD 3.42Å |
| 70 | M | 63.1 | Low | 75.9 | Confident | 99 Ų | 99 | 112.7 Ų | 112.7 | 49% | 0.488 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -54.9 | 114 | 165.8 | -83.7 | -76.6 | -126.2 | 0 | 0 | 107.8 | N66 R67 V68 | N66-M70 PolarHBondContact O-N 3.45Å; N66-M70 VanDerWaalsContact O-N 3.13Å; R67-M70 WeakPolarHBondContact O-CB 3.29Å; V68-M70 PolarHBondContact O-N 3.28Å |
| 71 | P | 61.8 | Low | 75.3 | Confident | 79 Ų | 79 | 112.8 Ų | 112.8 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | trans | -62.9 | 150.5 | -173.9 | -5.5 | 15.5 | 0 | 0 | 0 | 108.8 | K69 S73 | K69-P71 VanDerWaalsContact O-CD 3.25Å; K69-P71 WeakPolarHBondContact O-CD 3.42Å; P71-S73 WeakPolarHBondContact CB-OG 3.39Å; P71-S73 PolarHBondContact O-N 3.43Å; P71-S73 PolarHBondContact O-OG 3.46Å | ||
| 72 | R | 59.4 | Low | 74.9 | Confident | 225 Ų | 225 | 114.8 Ų | 114.8 | 85% | 0.849 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -56.1 | -0.1 | 166.3 | -64.4 | -163.1 | -64.7 | -130.2 | 1.3 | 113.2 | K74 T75 | R72-K74 PolarHBondContact O-N 3.26Å; R72-T75 PolarHBondContact O-N 3.02Å; R72-T75 PolarHBondContact O-OG1 2.92Å |
| 73 | S | 55.9 | Low | 74.6 | Confident | 69 Ų | 69 | 117 Ų | 117 | 48% | 0.483 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -55 | -16.8 | 173.4 | 63.3 | 0 | 0 | 0 | 0 | 114.4 | P71 T75 | P71-S73 WeakPolarHBondContact CB-OG 3.39Å; P71-S73 PolarHBondContact O-N 3.43Å; P71-S73 PolarHBondContact O-OG 3.46Å; S73-T75 PolarHBondContact O-N 2.9Å |
| 74 | K | 56.3 | Low | 74.3 | Confident | 151 Ų | 151 | 121.8 Ų | 121.8 | 66% | 0.657 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -72.1 | 0.8 | 170.7 | -67.9 | -162 | 174.8 | -165.9 | 0 | 115.4 | R72 P76 | R72-K74 PolarHBondContact O-N 3.26Å; K74-P76 WeakPolarHBondContact O-CD 3.49Å |
| 75 | T | 63.9 | Low | 74 | Confident | 61 Ų | 61 | 124 Ų | 124 | 37% | 0.374 | 59% | 0.59 | S | S | . | * | trans | -101.6 | 77.8 | 164 | 57.6 | 0 | 0 | 0 | 0 | 109.5 | R72 S73 Y77 V78 N79 | R72-T75 PolarHBondContact O-N 3.02Å; R72-T75 PolarHBondContact O-OG1 2.92Å; S73-T75 PolarHBondContact O-N 2.9Å; T75-Y77 PolarHBondContact O-N 3Å; T75-Y77 VanDerWaalsContact O-N 3.16Å; T75-V78 HydrophobicContact CG2-CG2 4.17Å; T75-V78 PolarHBondContact O-N 3.48Å; T75-V78 WeakPolarHBondContact OG1-CB 3.48Å; T75-N79 PolarHBondContact O-N 2.76Å; T75-N79 VanDerWaalsContact O-N 3.13Å | ||
| 76 | P | 69 | Low | 73.9 | Confident | 82 Ų | 82 | 122.5 Ų | 122.5 | 53% | 0.532 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -54.7 | -35.8 | 177.6 | 22.3 | -32.1 | 0 | 0 | 0 | 110.5 | K74 V78 N79 L80 | K74-P76 WeakPolarHBondContact O-CD 3.49Å; P76-V78 PolarHBondContact O-N 2.71Å; P76-N79 PolarHBondContact O-N 3.31Å; P76-L80 WeakPolarHBondContact O-CB 3.44Å; P76-L80 PolarHBondContact O-N 3.44Å |
| 77 | Y | 71.8 | Confident | 73.8 | Confident | 181 Ų | 181 | 123.6 Ų | 123.6 | 71% | 0.71 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.2 | -44.2 | 174.6 | -65.3 | -76.1 | 0 | 0 | 0 | 114.1 | T75 L80 L81 | T75-Y77 PolarHBondContact O-N 3Å; T75-Y77 VanDerWaalsContact O-N 3.16Å; Y77-L80 PolarHBondContact O-N 3.28Å; Y77-L81 VanDerWaalsContact O-CB 3.3Å; Y77-L81 WeakPolarHBondContact O-CB 3.41Å; Y77-L81 WeakPolarHBondContact O-CD1 3.44Å; Y77-L81 WeakPolarHBondContact O-CG 3.41Å; Y77-L81 PolarHBondContact O-N 3.22Å |
| 78 | V | 73.9 | Confident | 73.5 | Confident | 73 Ų | 73 | 121.6 Ų | 121.6 | 44% | 0.442 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -74.9 | -36.3 | -177.1 | -174 | 0 | 0 | 0 | 0 | 110.7 | T75 P76 L81 L82 | T75-V78 HydrophobicContact CG2-CG2 4.17Å; T75-V78 PolarHBondContact O-N 3.48Å; T75-V78 WeakPolarHBondContact OG1-CB 3.48Å; P76-V78 PolarHBondContact O-N 2.71Å; V78-L81 PolarHBondContact O-N 3.12Å; V78-L82 HydrophobicContact CG1-CD1 4.35Å; V78-L82 WeakPolarHBondContact O-CB 3.49Å; V78-L82 WeakPolarHBondContact O-CG 3.42Å; V78-L82 PolarHBondContact O-N 3.32Å |
| 79 | N | 77.4 | Confident | 73.4 | Confident | 82 Ų | 82 | 126 Ų | 126 | 44% | 0.439 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.8 | -41.1 | 172 | -79.3 | -32 | 0 | 0 | 0 | 111.7 | T75 P76 L82 F83 | T75-N79 PolarHBondContact O-N 2.76Å; T75-N79 VanDerWaalsContact O-N 3.13Å; P76-N79 PolarHBondContact O-N 3.31Å; N79-L82 PolarHBondContact O-N 2.91Å; N79-F83 WeakPolarHBondContact O-CB 3.41Å; N79-F83 PolarHBondContact O-N 3.43Å |
| 80 | L | 81.9 | Confident | 72.7 | Confident | 125 Ų | 125 | 129.9 Ų | 129.9 | 65% | 0.654 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.4 | -41.4 | 176.2 | -159.6 | 80.7 | 0 | 0 | 0 | 111.4 | P76 Y77 F83 R84 | P76-L80 WeakPolarHBondContact O-CB 3.44Å; P76-L80 PolarHBondContact O-N 3.44Å; Y77-L80 PolarHBondContact O-N 3.28Å; L80-F83 PolarHBondContact O-N 2.88Å; L80-R84 WeakPolarHBondContact O-CB 3.48Å; L80-R84 PolarHBondContact O-N 3.39Å |
| 81 | L | 81.9 | Confident | 72.4 | Confident | 112 Ų | 112 | 135 Ų | 135 | 59% | 0.586 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.3 | -47.4 | 174.8 | -86.1 | 159.3 | 0 | 0 | 0 | 111.6 | Y77 V78 F83 R84 Y85 | Y77-L81 VanDerWaalsContact O-CB 3.3Å; Y77-L81 WeakPolarHBondContact O-CB 3.41Å; Y77-L81 WeakPolarHBondContact O-CD1 3.44Å; Y77-L81 WeakPolarHBondContact O-CG 3.41Å; Y77-L81 PolarHBondContact O-N 3.22Å; V78-L81 PolarHBondContact O-N 3.12Å; L81-F83 VanDerWaalsContact C-N 3.34Å; L81-F83 PolarHBondContact O-N 3.38Å; L81-R84 PolarHBondContact O-N 2.99Å; L81-Y85 WeakPolarHBondContact O-CB 3.35Å; L81-Y85 PolarHBondContact O-N 2.91Å |
| 82 | L | 82.5 | Confident | 72.9 | Confident | 103 Ų | 103 | 137.8 Ų | 137.8 | 54% | 0.539 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60.3 | -43.7 | 175.8 | -84.7 | 165 | 0 | 0 | 0 | 111.6 | V78 N79 R84 Y85 S86 | V78-L82 HydrophobicContact CG1-CD1 4.35Å; V78-L82 WeakPolarHBondContact O-CB 3.49Å; V78-L82 WeakPolarHBondContact O-CG 3.42Å; V78-L82 PolarHBondContact O-N 3.32Å; N79-L82 PolarHBondContact O-N 2.91Å; L82-R84 VanDerWaalsContact C-N 3.34Å; L82-R84 PolarHBondContact O-N 3.33Å; L82-Y85 PolarHBondContact O-N 3Å; L82-S86 WeakPolarHBondContact O-CB 3.41Å; L82-S86 PolarHBondContact O-N 3.01Å; L82-S86 PolarHBondContact O-OG 3.46Å |
| 83 | F | 85 | Confident | 73.6 | Confident | 156 Ų | 156 | 133.2 Ų | 133.2 | 68% | 0.684 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.4 | -44.6 | 176.9 | -165 | -96.7 | 0 | 0 | 0 | 111.2 | N79 L80 L81 S86 F87 | N79-F83 WeakPolarHBondContact O-CB 3.41Å; N79-F83 PolarHBondContact O-N 3.43Å; L80-F83 PolarHBondContact O-N 2.88Å; L81-F83 VanDerWaalsContact C-N 3.34Å; L81-F83 PolarHBondContact O-N 3.38Å; F83-S86 PolarHBondContact O-N 3.47Å; F83-F87 WeakPolarHBondContact O-CB 3.46Å; F83-F87 PolarHBondContact O-N 3.1Å |
| 84 | R | 85.2 | Confident | 74.6 | Confident | 172 Ų | 172 | 136.8 Ų | 136.8 | 65% | 0.649 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.9 | -41.2 | 178.1 | -169.8 | 147.1 | 170.7 | 162.6 | -6 | 112.7 | L80 L81 L82 S86 F87 F88 | L80-R84 WeakPolarHBondContact O-CB 3.48Å; L80-R84 PolarHBondContact O-N 3.39Å; L81-R84 PolarHBondContact O-N 2.99Å; L82-R84 VanDerWaalsContact C-N 3.34Å; L82-R84 PolarHBondContact O-N 3.33Å; R84-S86 VanDerWaalsContact C-N 3.3Å; R84-S86 PolarHBondContact O-N 3.45Å; R84-F87 PolarHBondContact O-N 2.93Å; R84-F88 HydrophobicContact CG-CD2 3.99Å; R84-F88 HydrophobicContact CG-CE2 4.17Å; R84-F88 WeakPolarHBondContact O-CD2 3.28Å; R84-F88 PolarHBondContact O-N 2.84Å |
| 85 | Y | 79.5 | Confident | 75.7 | Confident | 181 Ų | 181 | 135.9 Ų | 135.9 | 71% | 0.71 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.5 | -38.4 | 174.5 | -123.8 | -87.6 | 0 | 0 | 0 | 112 | L81 L82 R89 | L81-Y85 WeakPolarHBondContact O-CB 3.35Å; L81-Y85 PolarHBondContact O-N 2.91Å; L82-Y85 PolarHBondContact O-N 3Å; Y85-R89 WeakPolarHBondContact O-CB 3.49Å; Y85-R89 PolarHBondContact O-N 3.27Å |
| 86 | S | 84.8 | Confident | 76.4 | Confident | 67 Ų | 67 | 140.6 Ų | 140.6 | 47% | 0.469 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -70.5 | -40 | 179.1 | -52.8 | 0 | 0 | 0 | 0 | 111.5 | L82 F83 R84 R89 | L82-S86 WeakPolarHBondContact O-CB 3.41Å; L82-S86 PolarHBondContact O-N 3.01Å; L82-S86 PolarHBondContact O-OG 3.46Å; F83-S86 PolarHBondContact O-N 3.47Å; R84-S86 VanDerWaalsContact C-N 3.3Å; R84-S86 PolarHBondContact O-N 3.45Å; S86-R89 PolarHBondContact O-N 3.36Å |
| 87 | F | 83.1 | Confident | 76.9 | Confident | 127 Ų | 127 | 144.5 Ų | 144.5 | 56% | 0.557 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64.6 | -46.5 | 176.7 | -175 | -97.4 | 0 | 0 | 0 | 112 | F83 R84 R89 W90 | F83-F87 WeakPolarHBondContact O-CB 3.46Å; F83-F87 PolarHBondContact O-N 3.1Å; R84-F87 PolarHBondContact O-N 2.93Å; F87-R89 PolarHBondContact O-N 3.14Å; F87-W90 PolarHBondContact O-N 3.12Å |
| 88 | F | 75.2 | Confident | 77.3 | Confident | 131 Ų | 131 | 141.9 Ų | 141.9 | 58% | 0.575 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.4 | -17.6 | 178.6 | -93.1 | -85.5 | 0 | 0 | 0 | 114.4 | R84 | R84-F88 HydrophobicContact CG-CD2 3.99Å; R84-F88 HydrophobicContact CG-CE2 4.17Å; R84-F88 WeakPolarHBondContact O-CD2 3.28Å; R84-F88 PolarHBondContact O-N 2.84Å |
| 89 | R | 75.8 | Confident | 77.6 | Confident | 214 Ų | 214 | 147.2 Ų | 147.2 | 81% | 0.808 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -14.7 | 176.8 | -165 | 177.1 | -167.7 | -164.7 | 3.3 | 113.1 | Y85 S86 F87 | Y85-R89 WeakPolarHBondContact O-CB 3.49Å; Y85-R89 PolarHBondContact O-N 3.27Å; S86-R89 PolarHBondContact O-N 3.36Å; F87-R89 PolarHBondContact O-N 3.14Å |
| 90 | W | 59.2 | Low | 77.6 | Confident | 237 Ų | 237 | 152.7 Ų | 152.7 | 90% | 0.898 | 68% | 0.675 | S | S | * | * | trans | -108.9 | 10.4 | -178.3 | -86.4 | 90.1 | 0 | 0 | 0 | 113.4 | F87 | F87-W90 PolarHBondContact O-N 3.12Š| ||
| 91 | Q | 56.9 | Low | 77.2 | Confident | 207 Ų | 207 | 155.2 Ų | 155.2 | 97% | 0.967 | 68% | 0.676 | S | S | * | * | trans | -107.4 | 0 | 160.4 | -85.1 | -150.1 | -59.9 | 0 | 0 | 109.5 |
Retrieved 91 of 91 residues in 122.1 ms
(Link to these results)