| 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 | 35.7 | Very low | 44.6 | Very low | 222 Ų | 222 | 109.4 Ų | 109.4 | 100% | 1.094 | 56% | 0.559 | S | S | * | * | 0 | 130.7 | 0 | -74.9 | 175.9 | -109.9 | 0 | 0 | 106.3 | |||||
| 2 | P | 35.2 | Very low | 46.2 | Very low | 83 Ų | 83 | 105.1 Ų | 105.1 | 54% | 0.539 | 54% | 0.544 | S | S | . | . | trans | -61.9 | 141.8 | -176.5 | 25.7 | -31.6 | 0 | 0 | 0 | 110.2 | E4 N5 | P2-E4 HydrophobicContact CB-CB 4.4Å; P2-E4 PolarHBondContact O-N 2.73Å; P2-N5 PolarHBondContact O-N 3Å | ||
| 3 | L | 41.9 | Very low | 47.7 | Very low | 127 Ų | 127 | 103.5 Ų | 103.5 | 67% | 0.665 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -54.1 | -13.9 | 174.8 | -84.4 | 143.2 | 0 | 0 | 0 | 113.3 | N5 | L3-N5 VanDerWaalsContact C-N 3.32Å; L3-N5 PolarHBondContact O-N 3.47Å |
| 4 | E | 39.2 | Very low | 48.8 | Very low | 147 Ų | 147 | 98.6 Ų | 98.6 | 69% | 0.687 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -68 | -23.2 | -179.3 | -65.3 | 171.5 | 167.6 | 0 | 0 | 113.6 | P2 L6 | P2-E4 HydrophobicContact CB-CB 4.4Å; P2-E4 PolarHBondContact O-N 2.73Å; E4-L6 VanDerWaalsContact C-N 3.28Å; E4-L6 PolarHBondContact O-N 3.37Å |
| 5 | N | 35.9 | Very low | 49.8 | Very low | 100 Ų | 100 | 92.6 Ų | 92.6 | 54% | 0.535 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -74.5 | -12.2 | 179.5 | -99.6 | 25 | 0 | 0 | 0 | 114.7 | P2 L3 | P2-N5 PolarHBondContact O-N 3Å; L3-N5 VanDerWaalsContact C-N 3.32Å; L3-N5 PolarHBondContact O-N 3.47Å |
| 6 | L | 43.9 | Very low | 51 | Low | 65 Ų | 65 | 89 Ų | 89 | 34% | 0.34 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -84.4 | -24.1 | -178.2 | -75.8 | 149.4 | 0 | 0 | 0 | 112.8 | E4 E8 E9 Y211 | E4-L6 VanDerWaalsContact C-N 3.28Å; E4-L6 PolarHBondContact O-N 3.37Å; L6-E8 PolarHBondContact O-N 3.36Å; L6-E9 PolarHBondContact O-N 3.11Å; L6-Y211 HydrophobicContact CB-CE2 3.79Å; L6-Y211 VanDerWaalsContact CB-OH 3.24Å; L6-Y211 WeakPolarHBondContact CB-OH 3.27Å; L6-Y211 WeakPolarHBondContact O-CD2 3.5Å; L6-Y211 WeakPolarHBondContact O-CE2 3.47Å |
| 7 | E | 45 | Very low | 52.2 | Low | 118 Ų | 118 | 84.4 Ų | 84.4 | 55% | 0.551 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -68.4 | -24.4 | 178.9 | -65.2 | -171.9 | 173.9 | 0 | 0 | 112.4 | Y211 | E7-Y211 HydrophobicContact CG-CD1 4.26Å; E7-Y211 HydrophobicContact CG-CE1 4.46Å |
| 8 | E | 46.3 | Very low | 53.4 | Low | 163 Ų | 163 | 87.6 Ų | 87.6 | 76% | 0.762 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -76.4 | -18.1 | 178.5 | -63.3 | -171.4 | 163 | 0 | 0 | 113.5 | L6 G10 | L6-E8 PolarHBondContact O-N 3.36Å; E8-G10 VanDerWaalsContact C-N 3.31Å |
| 9 | E | 51.6 | Low | 54.5 | Low | 122 Ų | 122 | 83 Ų | 83 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -86.1 | -1.5 | 178.6 | -66.7 | -174.1 | 161.2 | 0 | 0 | 113.5 | L6 R179 | L6-E9 PolarHBondContact O-N 3.11Å; E9-R179 PolarHBondContact O-NH2 3.01Å |
| 10 | G | 55.2 | Low | 55.4 | Low | 23 Ų | 23 | 79.4 Ų | 79.4 | 24% | 0.237 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -73 | 146.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E8 | E8-G10 VanDerWaalsContact C-N 3.31Š|
| 11 | L | 60.8 | Low | 56.4 | Low | 33 Ų | 33 | 79 Ų | 79 | 17% | 0.173 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 160.1 | 167.6 | -80.3 | 168.2 | 0 | 0 | 0 | 111.3 | K13 R179 E212 | L11-K13 PolarHBondContact O-N 2.97Å; L11-R179 VanDerWaalsContact CD1-NH1 3.35Å; L11-R179 VanDerWaalsContact CG-NH1 3.29Å; L11-E212 HydrophobicContact CB-CB 4.43Å; L11-E212 WeakPolarHBondContact CB-OE2 3.37Å; L11-E212 WeakPolarHBondContact CD1-OE2 3.35Å |
| 12 | P | 63.8 | Low | 58.2 | Low | 58 Ų | 58 | 69.2 Ų | 69.2 | 38% | 0.377 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 132.7 | 175.6 | -20.8 | 30.2 | 0 | 0 | 0 | 110.8 | N14 Y143 R146 | P12-N14 PolarHBondContact O-N 3.48Å; P12-Y143 WeakPolarHBondContact CG-OH 3.34Å; P12-R146 PolarHBondContact O-NH1 3.02Å |
| 13 | K | 65.6 | Low | 60.2 | Low | 85 Ų | 85 | 67.4 Ų | 67.4 | 37% | 0.37 | 33% | 0.333 | S | S | . | . | trans | -74.1 | 55.4 | 178.7 | -66.5 | 179.1 | -179.9 | 169.5 | 0 | 112 | L11 D16 | L11-K13 PolarHBondContact O-N 2.97Å; K13-D16 PolarHBondContact O-N 2.97Å | ||
| 14 | N | 63.6 | Low | 62 | Low | 34 Ų | 34 | 64 Ų | 64 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | trans | -125.4 | 111.9 | -179.6 | -68.7 | -27.6 | 0 | 0 | 0 | 108.9 | P12 I112 Y143 R146 | P12-N14 PolarHBondContact O-N 3.48Å; N14-I112 HydrophobicContact CB-CG2 4.37Å; N14-Y143 HydrophobicContact CB-CE1 4.35Å; N14-Y143 VanDerWaalsContact O-CD1 3.25Å; N14-Y143 WeakPolarHBondContact O-CD1 3.36Å; N14-Y143 WeakPolarHBondContact O-CE1 3.49Å; N14-R146 PolarHBondContact O-NH1 3.46Å | ||
| 15 | P | 63 | Low | 63.8 | Low | 9 Ų | 9 | 58.3 Ų | 58.3 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | S | Bend | cis | -79.8 | 144.2 | -4.1 | 21.3 | -13.6 | 0 | 0 | 0 | 112.8 | L17 I112 R146 I147 F150 | P15-L17 PolarHBondContact O-N 3.01Å; P15-I112 HydrophobicContact CB-CG2 3.56Å; P15-I112 HydrophobicContact CG-CG2 3.55Å; P15-I112 VanDerWaalsContact N-CG2 3.31Å; P15-R146 HydrophobicContact CG-CB 4.37Å; P15-I147 HydrophobicContact CG-CG1 4.26Å; P15-F150 HydrophobicContact CB-CD2 4.46Å |
| 16 | D | 69.6 | Low | 65.5 | Low | 35 Ų | 35 | 53.7 Ų | 53.7 | 19% | 0.187 | 26% | 0.262 | C | S | . | . | trans | -72.3 | 113.6 | 177.8 | -171.9 | -1.8 | 0 | 0 | 0 | 110.9 | K13 R18 I19 | K13-D16 PolarHBondContact O-N 2.97Å; D16-R18 PolarHBondContact O-N 2.82Å; D16-R18 VanDerWaalsContact OD1-CB 3.27Å; D16-R18 WeakPolarHBondContact OD1-CB 3.37Å; D16-R18 WeakPolarHBondContact OD1-CG 3.29Å; D16-R18 PolarHBondContact OD1-N 2.76Å; D16-I19 HydrophobicContact CB-CD1 3.89Å; D16-I19 HydrophobicContact CB-CG1 3.99Å; D16-I19 WeakPolarHBondContact O-CB 3.49Å; D16-I19 PolarHBondContact O-N 3.35Å | ||
| 17 | L | 71.1 | Confident | 67 | Low | 11 Ų | 11 | 54.2 Ų | 54.2 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.2 | -25.2 | 177.8 | -69.1 | -172.5 | 0 | 0 | 0 | 112.3 | P15 I19 A20 Q21 F150 L213 W286 | P15-L17 PolarHBondContact O-N 3.01Å; L17-I19 PolarHBondContact O-N 3.4Å; L17-A20 PolarHBondContact O-N 3.23Å; L17-Q21 PolarHBondContact O-N 3.24Å; L17-F150 HydrophobicContact CD2-CB 4.07Å; L17-F150 HydrophobicContact CD2-CD2 4.25Å; L17-L213 HydrophobicContact CD1-CD2 3.36Å; L17-W286 HydrophobicContact CB-CH2 3.53Å; L17-W286 HydrophobicContact CB-CZ2 3.9Å; L17-W286 HydrophobicContact CD1-CZ2 4.43Å; L17-W286 HydrophobicContact CD2-CH2 3.8Å; L17-W286 HydrophobicContact CD2-CZ2 4.37Å; L17-W286 HydrophobicContact CG-CH2 4.12Å; L17-W286 HydrophobicContact CG-CZ2 4.46Å; L17-W286 WeakPolarHBondContact O-CH2 3.17Å; L17-W286 WeakPolarHBondContact O-CZ3 3.37Å |
| 18 | R | 73.5 | Confident | 68.3 | Low | 141 Ų | 141 | 50.2 Ų | 50.2 | 53% | 0.532 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.9 | -34.8 | 175.8 | -62.4 | 177.3 | -179 | -168.7 | -0.3 | 111.7 | D16 A20 Q21 L22 | D16-R18 PolarHBondContact O-N 2.82Å; D16-R18 VanDerWaalsContact OD1-CB 3.27Å; D16-R18 WeakPolarHBondContact OD1-CB 3.37Å; D16-R18 WeakPolarHBondContact OD1-CG 3.29Å; D16-R18 PolarHBondContact OD1-N 2.76Å; R18-A20 VanDerWaalsContact C-N 3.35Å; R18-A20 PolarHBondContact O-N 3.32Å; R18-Q21 WeakPolarHBondContact O-CB 3.46Å; R18-Q21 PolarHBondContact O-N 3.43Å; R18-Q21 VanDerWaalsContact O-N 3.13Å; R18-L22 WeakPolarHBondContact O-CG 3.36Å; R18-L22 PolarHBondContact O-N 2.8Å |
| 19 | I | 74.6 | Confident | 69.1 | Low | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | -179.3 | -64.6 | 179 | 0 | 0 | 0 | 111.4 | D16 L17 L22 K23 L41 M50 Y53 F150 | D16-I19 HydrophobicContact CB-CD1 3.89Å; D16-I19 HydrophobicContact CB-CG1 3.99Å; D16-I19 WeakPolarHBondContact O-CB 3.49Å; D16-I19 PolarHBondContact O-N 3.35Å; L17-I19 PolarHBondContact O-N 3.4Å; I19-L22 PolarHBondContact O-N 3.36Å; I19-K23 PolarHBondContact O-N 3.01Å; I19-L41 HydrophobicContact CG2-CD1 3.77Å; I19-M50 HydrophobicContact CD1-CE 4.22Å; I19-M50 HydrophobicContact CD1-SD 3.61Å; I19-Y53 HydrophobicContact CG2-CD1 4.31Å; I19-Y53 HydrophobicContact CG2-CE1 3.47Å; I19-Y53 VanDerWaalsContact CG2-CE1 3.47Å; I19-F150 HydrophobicContact CB-CE2 4.38Å |
| 20 | A | 72.9 | Confident | 69.5 | Low | 10 Ų | 10 | 46.5 Ų | 46.5 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -80.3 | -19.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L17 R18 K23 F24 F150 W286 | L17-A20 PolarHBondContact O-N 3.23Å; R18-A20 VanDerWaalsContact C-N 3.35Å; R18-A20 PolarHBondContact O-N 3.32Å; A20-K23 PolarHBondContact O-N 3.31Å; A20-F24 WeakPolarHBondContact O-CB 3.29Å; A20-F24 PolarHBondContact O-N 3.31Å; A20-F150 HydrophobicContact CB-CD2 3.71Å; A20-F150 HydrophobicContact CB-CE1 4.48Å; A20-F150 HydrophobicContact CB-CE2 3.38Å; A20-F150 HydrophobicContact CB-CG 4.4Å; A20-F150 HydrophobicContact CB-CZ 3.82Å; A20-W286 HydrophobicContact CB-CE3 3.88Å; A20-W286 HydrophobicContact CB-CH2 4.36Å; A20-W286 HydrophobicContact CB-CZ3 3.3Å |
| 21 | Q | 75.9 | Confident | 69.7 | Low | 72 Ų | 72 | 48 Ų | 48 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.7 | -45 | 166.4 | -174.9 | -178.7 | 3.3 | 0 | 0 | 110.6 | L17 R18 K23 F24 L25 W286 | L17-Q21 PolarHBondContact O-N 3.24Å; R18-Q21 WeakPolarHBondContact O-CB 3.46Å; R18-Q21 PolarHBondContact O-N 3.43Å; R18-Q21 VanDerWaalsContact O-N 3.13Å; Q21-K23 PolarHBondContact O-N 3.4Å; Q21-F24 WeakPolarHBondContact O-CB 3.32Å; Q21-F24 PolarHBondContact O-N 3.45Å; Q21-F24 VanDerWaalsContact O-N 3.16Å; Q21-L25 WeakPolarHBondContact O-CG 3.24Å; Q21-L25 PolarHBondContact O-N 3.38Å; Q21-W286 HydrophobicContact CB-CD2 4.19Å; Q21-W286 HydrophobicContact CB-CE3 4.08Å; Q21-W286 HydrophobicContact CB-CZ3 4.42Å |
| 22 | L | 74.3 | Confident | 69.5 | Low | 16 Ų | 16 | 51.8 Ų | 51.8 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 174.5 | -66.5 | 169.7 | 0 | 0 | 0 | 111.6 | R18 I19 F24 L25 L26 V37 E40 L41 | R18-L22 WeakPolarHBondContact O-CG 3.36Å; R18-L22 PolarHBondContact O-N 2.8Å; I19-L22 PolarHBondContact O-N 3.36Å; L22-F24 VanDerWaalsContact C-N 3.28Å; L22-F24 PolarHBondContact O-N 2.98Å; L22-L25 PolarHBondContact O-N 2.87Å; L22-L26 WeakPolarHBondContact O-CG 3.15Å; L22-L26 PolarHBondContact O-N 3.31Å; L22-L26 VanDerWaalsContact O-N 3.14Å; L22-V37 HydrophobicContact CB-CG1 4.35Å; L22-V37 HydrophobicContact CD2-CG1 3.8Å; L22-E40 HydrophobicContact CD1-CB 4.48Å; L22-E40 HydrophobicContact CD1-CG 3.99Å; L22-L41 HydrophobicContact CB-CB 4.33Å; L22-L41 HydrophobicContact CB-CD1 4.21Å; L22-L41 HydrophobicContact CD1-CB 4.44Å |
| 23 | K | 77.6 | Confident | 69.2 | Low | 45 Ų | 45 | 57.5 Ų | 57.5 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.5 | -44.1 | 172.4 | 178.9 | -178.2 | 176.1 | 175.5 | 0 | 111.5 | I19 A20 Q21 L26 T27 Y53 L57 D60 | I19-K23 PolarHBondContact O-N 3.01Å; A20-K23 PolarHBondContact O-N 3.31Å; Q21-K23 PolarHBondContact O-N 3.4Å; K23-L26 PolarHBondContact O-N 3.36Å; K23-T27 PolarHBondContact O-N 2.79Å; K23-T27 PolarHBondContact O-OG1 2.94Å; K23-Y53 VanDerWaalsContact CD-OH 3.27Å; K23-Y53 WeakPolarHBondContact CD-OH 3.25Å; K23-L57 HydrophobicContact CB-CD1 4.15Å; K23-L57 HydrophobicContact CD-CD1 4.05Å; K23-L57 HydrophobicContact CG-CD1 3.92Å; K23-D60 VanDerWaalsContact CE-OD2 3.31Å; K23-D60 WeakPolarHBondContact CE-OD2 3.5Å; K23-D60 IonicContact NZ-OD2 3.06Å; K23-D60 PolarHBondContact NZ-OD2 3.11Å |
| 24 | F | 78.1 | Confident | 69.4 | Low | 56 Ų | 56 | 56.6 Ų | 56.6 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -44.7 | -179.2 | -178.1 | -107.5 | 0 | 0 | 0 | 112.2 | A20 Q21 L22 L26 T27 M28 W286 A289 | A20-F24 WeakPolarHBondContact O-CB 3.29Å; A20-F24 PolarHBondContact O-N 3.31Å; Q21-F24 WeakPolarHBondContact O-CB 3.32Å; Q21-F24 PolarHBondContact O-N 3.45Å; Q21-F24 VanDerWaalsContact O-N 3.16Å; L22-F24 VanDerWaalsContact C-N 3.28Å; L22-F24 PolarHBondContact O-N 2.98Å; F24-L26 VanDerWaalsContact C-N 3.29Å; F24-L26 PolarHBondContact O-N 3.31Å; F24-T27 WeakPolarHBondContact O-CB 3.38Å; F24-T27 PolarHBondContact O-N 2.95Å; F24-M28 HydrophobicContact CD1-CE 3.44Å; F24-M28 VanDerWaalsContact CD1-CE 3.44Å; F24-M28 HydrophobicContact CE1-CE 2.88Å; F24-M28 HydrophobicContact CE2-CE 4.47Å; F24-M28 HydrophobicContact CG-CE 4.46Å; F24-M28 HydrophobicContact CZ-CE 3.47Å; F24-M28 VanDerWaalsContact CZ-CE 3.47Å; F24-M28 PolarHBondContact O-N 2.82Å; F24-W286 HydrophobicContact CB-CB 3.75Å; F24-W286 HydrophobicContact CD1-CB 3.61Å; F24-W286 HydrophobicContact CD2-CB 4.35Å; F24-W286 VanDerWaalsContact CE1-CA 3.43Å; F24-W286 HydrophobicContact CE1-CB 4.27Å; F24-W286 HydrophobicContact CG-CB 3.63Å; F24-A289 HydrophobicContact CE1-CB 3.4Å; F24-A289 HydrophobicContact CZ-CB 3.27Å |
| 25 | L | 77.3 | Confident | 69.7 | Low | 28 Ų | 28 | 60.6 Ų | 60.6 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.4 | -43.9 | 175.7 | -72.5 | 170.9 | 0 | 0 | 0 | 111.9 | Q21 L22 T27 M28 H31 V37 K284 | Q21-L25 WeakPolarHBondContact O-CG 3.24Å; Q21-L25 PolarHBondContact O-N 3.38Å; L22-L25 PolarHBondContact O-N 2.87Å; L25-T27 PolarHBondContact O-N 3.33Å; L25-M28 WeakPolarHBondContact O-CB 3.4Å; L25-M28 PolarHBondContact O-N 3.1Å; L25-M28 VanDerWaalsContact O-N 3.14Å; L25-H31 WeakPolarHBondContact O-CB 3.36Å; L25-V37 HydrophobicContact CB-CG1 4.21Å; L25-K284 HydrophobicContact CD2-CB 3.94Å; L25-K284 HydrophobicContact CD2-CG 4.47Å; L25-K284 WeakPolarHBondContact CD2-O 3.2Å |
| 26 | L | 73 | Confident | 70.4 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.9 | -18.7 | 178.3 | -69.1 | 165.9 | 0 | 0 | 0 | 114 | L22 K23 F24 M28 V37 K38 L41 L61 W63 | L22-L26 WeakPolarHBondContact O-CG 3.15Å; L22-L26 PolarHBondContact O-N 3.31Å; L22-L26 VanDerWaalsContact O-N 3.14Å; K23-L26 PolarHBondContact O-N 3.36Å; F24-L26 VanDerWaalsContact C-N 3.29Å; F24-L26 PolarHBondContact O-N 3.31Å; L26-M28 VanDerWaalsContact C-N 3.33Å; L26-V37 HydrophobicContact CD1-CG1 4.17Å; L26-V37 HydrophobicContact CD2-CB 4.14Å; L26-V37 HydrophobicContact CD2-CG1 3.94Å; L26-V37 HydrophobicContact CG-CB 4.47Å; L26-V37 HydrophobicContact CG-CG1 3.73Å; L26-K38 HydrophobicContact CD2-CB 4.35Å; L26-L41 HydrophobicContact CD1-CB 4.4Å; L26-L41 HydrophobicContact CD1-CD2 3.4Å; L26-L61 HydrophobicContact CB-CD1 4.3Å; L26-L61 HydrophobicContact CB-CD2 4.08Å; L26-L61 HydrophobicContact CD1-CD1 4.41Å; L26-W63 HydrophobicContact CD1-CH2 3.69Å; L26-W63 HydrophobicContact CD1-CZ2 4.09Å; L26-W63 HydrophobicContact CD2-CZ2 4.29Å |
| 27 | T | 74.3 | Confident | 70.7 | Confident | 77 Ų | 77 | 67.9 Ų | 67.9 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -78.3 | -21.3 | 175.4 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | K23 F24 L25 | K23-T27 PolarHBondContact O-N 2.79Å; K23-T27 PolarHBondContact O-OG1 2.94Å; F24-T27 WeakPolarHBondContact O-CB 3.38Å; F24-T27 PolarHBondContact O-N 2.95Å; L25-T27 PolarHBondContact O-N 3.33Å |
| 28 | M | 72.9 | Confident | 71 | Confident | 34 Ų | 34 | 71.3 Ų | 71.3 | 17% | 0.167 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -77.7 | 131.7 | 178.7 | -67.2 | -173.1 | -155.8 | 0 | 0 | 112.5 | F24 L25 L26 G30 H31 R32 K283 | F24-M28 HydrophobicContact CD1-CE 3.44Å; F24-M28 VanDerWaalsContact CD1-CE 3.44Å; F24-M28 HydrophobicContact CE1-CE 2.88Å; F24-M28 HydrophobicContact CE2-CE 4.47Å; F24-M28 HydrophobicContact CG-CE 4.46Å; F24-M28 HydrophobicContact CZ-CE 3.47Å; F24-M28 VanDerWaalsContact CZ-CE 3.47Å; F24-M28 PolarHBondContact O-N 2.82Å; L25-M28 WeakPolarHBondContact O-CB 3.4Å; L25-M28 PolarHBondContact O-N 3.1Å; L25-M28 VanDerWaalsContact O-N 3.14Å; L26-M28 VanDerWaalsContact C-N 3.33Å; M28-G30 PolarHBondContact O-N 3.03Å; M28-H31 PolarHBondContact O-N 3.29Å; M28-R32 WeakPolarHBondContact O-CB 3.49Å; M28-R32 PolarHBondContact O-N 3.5Å; M28-K283 WeakPolarHBondContact CE-O 3.18Å |
| 29 | D | 61.6 | Low | 71.3 | Confident | 136 Ų | 136 | 68.2 Ų | 68.2 | 73% | 0.727 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -23.3 | -178.5 | -66.1 | -45.7 | 0 | 0 | 0 | 114.8 | R32 | D29-R32 IonicContact OD1-NH1 3.29Å; D29-R32 PolarHBondContact OD1-NH1 2.88Å |
| 30 | G | 61.1 | Low | 71.6 | Confident | 70 Ų | 70 | 73.4 Ų | 73.4 | 72% | 0.722 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -22.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | M28 | M28-G30 PolarHBondContact O-N 3.03Š|
| 31 | H | 58.8 | Low | 71.9 | Confident | 55 Ų | 55 | 73 Ų | 73 | 26% | 0.255 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 3.3 | -177.5 | -70.4 | -66.7 | 0 | 0 | 0 | 112.4 | L25 M28 Q33 D34 | L25-H31 WeakPolarHBondContact O-CB 3.36Å; M28-H31 PolarHBondContact O-N 3.29Å; H31-Q33 PolarHBondContact O-N 2.88Å; H31-D34 IonicContact CE1-OD2 3.64Å; H31-D34 IonicContact CG-OD2 3.77Å; H31-D34 IonicContact ND1-OD2 3.8Å; H31-D34 PolarHBondContact ND1-OD2 3.36Å; H31-D34 PolarHBondContact O-N 3.01Å; H31-D34 VanDerWaalsContact O-N 3.08Å |
| 32 | R | 56.4 | Low | 72 | Confident | 112 Ų | 112 | 70.9 Ų | 70.9 | 42% | 0.423 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20.5 | -177.5 | -165.2 | 166.6 | -175.6 | 162.6 | 5.2 | 114.4 | M28 D29 | M28-R32 WeakPolarHBondContact O-CB 3.49Å; M28-R32 PolarHBondContact O-N 3.5Å; D29-R32 IonicContact OD1-NH1 3.29Å; D29-R32 PolarHBondContact OD1-NH1 2.88Å |
| 33 | Q | 57.5 | Low | 72.4 | Confident | 178 Ų | 178 | 74 Ų | 74 | 83% | 0.832 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | 10.4 | -179.3 | -67.8 | -172 | -14.5 | 0 | 0 | 113.4 | H31 D35 | H31-Q33 PolarHBondContact O-N 2.88Å; Q33-D35 PolarHBondContact O-N 2.77Å |
| 34 | D | 70.2 | Confident | 72.2 | Confident | 66 Ų | 66 | 72.9 Ų | 72.9 | 35% | 0.353 | 38% | 0.379 | S | S | . | . | trans | -71.3 | 98.7 | 176.9 | -78.7 | -24.2 | 0 | 0 | 0 | 110.2 | H31 K36 V37 K38 | H31-D34 IonicContact CE1-OD2 3.64Å; H31-D34 IonicContact CG-OD2 3.77Å; H31-D34 IonicContact ND1-OD2 3.8Å; H31-D34 PolarHBondContact ND1-OD2 3.36Å; H31-D34 PolarHBondContact O-N 3.01Å; H31-D34 VanDerWaalsContact O-N 3.08Å; D34-K36 PolarHBondContact O-N 3.43Å; D34-K36 VanDerWaalsContact O-N 3.13Å; D34-V37 HydrophobicContact CB-CB 4.24Å; D34-V37 HydrophobicContact CB-CG2 3.89Å; D34-V37 PolarHBondContact O-N 2.7Å; D34-V37 VanDerWaalsContact O-N 3.11Å; D34-K38 PolarHBondContact O-N 2.9Å; D34-K38 VanDerWaalsContact O-N 3.13Å | ||
| 35 | D | 70.9 | Confident | 72.3 | Confident | 119 Ų | 119 | 70.2 Ų | 70.2 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -56.5 | -31 | -179.3 | -77.5 | -30.5 | 0 | 0 | 0 | 112.4 | Q33 K38 T39 | Q33-D35 PolarHBondContact O-N 2.77Å; D35-K38 PolarHBondContact O-N 3.03Å; D35-T39 WeakPolarHBondContact O-CG2 3.14Å; D35-T39 PolarHBondContact O-N 3.06Å; D35-T39 PolarHBondContact O-OG1 3.45Å; D35-T39 VanDerWaalsContact O-OG1 3.11Å |
| 36 | K | 76.9 | Confident | 72.3 | Confident | 175 Ų | 175 | 73.4 Ų | 73.4 | 76% | 0.761 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.7 | -45 | 177.1 | -65.8 | -177.8 | 179.9 | 179.9 | 0 | 113 | D34 K38 T39 E40 | D34-K36 PolarHBondContact O-N 3.43Å; D34-K36 VanDerWaalsContact O-N 3.13Å; K36-K38 VanDerWaalsContact C-N 3.28Å; K36-T39 WeakPolarHBondContact CA-OG1 3.31Å; K36-T39 PolarHBondContact O-N 3.49Å; K36-T39 PolarHBondContact O-OG1 3.03Å; K36-E40 WeakPolarHBondContact O-CB 3.44Å; K36-E40 PolarHBondContact O-N 3.33Å |
| 37 | V | 76 | Confident | 72.6 | Confident | 22 Ų | 22 | 80.6 Ų | 80.6 | 13% | 0.133 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -68.4 | -36.1 | 179.1 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | L22 L25 L26 D34 L41 | L22-V37 HydrophobicContact CB-CG1 4.35Å; L22-V37 HydrophobicContact CD2-CG1 3.8Å; L25-V37 HydrophobicContact CB-CG1 4.21Å; L26-V37 HydrophobicContact CD1-CG1 4.17Å; L26-V37 HydrophobicContact CD2-CB 4.14Å; L26-V37 HydrophobicContact CD2-CG1 3.94Å; L26-V37 HydrophobicContact CG-CB 4.47Å; L26-V37 HydrophobicContact CG-CG1 3.73Å; D34-V37 HydrophobicContact CB-CB 4.24Å; D34-V37 HydrophobicContact CB-CG2 3.89Å; D34-V37 PolarHBondContact O-N 2.7Å; D34-V37 VanDerWaalsContact O-N 3.11Å; V37-L41 VanDerWaalsContact O-CB 3.32Å; V37-L41 WeakPolarHBondContact O-CB 3.31Å; V37-L41 PolarHBondContact O-N 2.87Å |
| 38 | K | 76.5 | Confident | 72.4 | Confident | 83 Ų | 83 | 78.8 Ų | 78.8 | 36% | 0.361 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 174.4 | 179.8 | 172.1 | -178.3 | -170.4 | 0 | 112.4 | L26 D34 D35 K36 M42 W63 | L26-K38 HydrophobicContact CD2-CB 4.35Å; D34-K38 PolarHBondContact O-N 2.9Å; D34-K38 VanDerWaalsContact O-N 3.13Å; D35-K38 PolarHBondContact O-N 3.03Å; K36-K38 VanDerWaalsContact C-N 3.28Å; K38-M42 HydrophobicContact CG-CG 4.44Å; K38-M42 WeakPolarHBondContact O-CB 3.41Å; K38-M42 WeakPolarHBondContact O-CG 2.94Å; K38-M42 PolarHBondContact O-N 2.83Å; K38-W63 HydrophobicContact CB-CH2 4.18Å; K38-W63 HydrophobicContact CD-CH2 3.88Å; K38-W63 HydrophobicContact CD-CZ2 3.85Å; K38-W63 HydrophobicContact CD-CZ3 4.49Å; K38-W63 HydrophobicContact CG-CH2 3.56Å; K38-W63 HydrophobicContact CG-CZ2 4.02Å; K38-W63 HydrophobicContact CG-CZ3 4.16Å |
| 39 | T | 80.5 | Confident | 72.4 | Confident | 76 Ų | 76 | 79.6 Ų | 79.6 | 47% | 0.466 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 177.1 | 47.6 | 0 | 0 | 0 | 0 | 111.1 | D35 K36 L41 M42 D43 | D35-T39 WeakPolarHBondContact O-CG2 3.14Å; D35-T39 PolarHBondContact O-N 3.06Å; D35-T39 PolarHBondContact O-OG1 3.45Å; D35-T39 VanDerWaalsContact O-OG1 3.11Å; K36-T39 WeakPolarHBondContact CA-OG1 3.31Å; K36-T39 PolarHBondContact O-N 3.49Å; K36-T39 PolarHBondContact O-OG1 3.03Å; T39-L41 PolarHBondContact O-N 2.93Å; T39-M42 PolarHBondContact O-N 3.05Å; T39-M42 VanDerWaalsContact O-N 3.16Å; T39-D43 WeakPolarHBondContact O-CB 3.17Å; T39-D43 PolarHBondContact O-N 3.34Å |
| 40 | E | 80.6 | Confident | 72.8 | Confident | 110 Ų | 110 | 73.4 Ų | 73.4 | 51% | 0.514 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 179.3 | -171.2 | 176 | -176.2 | 0 | 0 | 111.5 | L22 K36 M42 D43 S44 | L22-E40 HydrophobicContact CD1-CB 4.48Å; L22-E40 HydrophobicContact CD1-CG 3.99Å; K36-E40 WeakPolarHBondContact O-CB 3.44Å; K36-E40 PolarHBondContact O-N 3.33Å; E40-M42 PolarHBondContact O-N 3.47Å; E40-D43 PolarHBondContact O-N 3.36Å; E40-S44 PolarHBondContact O-N 3.22Å; E40-S44 PolarHBondContact O-OG 2.93Å |
| 41 | L | 79.3 | Confident | 73.3 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.9 | -43 | 175.1 | 179.2 | 65.4 | 0 | 0 | 0 | 112.2 | I19 L22 L26 V37 T39 D43 S44 I45 L57 W63 | I19-L41 HydrophobicContact CG2-CD1 3.77Å; L22-L41 HydrophobicContact CB-CB 4.33Å; L22-L41 HydrophobicContact CB-CD1 4.21Å; L22-L41 HydrophobicContact CD1-CB 4.44Å; L26-L41 HydrophobicContact CD1-CB 4.4Å; L26-L41 HydrophobicContact CD1-CD2 3.4Å; V37-L41 VanDerWaalsContact O-CB 3.32Å; V37-L41 WeakPolarHBondContact O-CB 3.31Å; V37-L41 PolarHBondContact O-N 2.87Å; T39-L41 PolarHBondContact O-N 2.93Å; L41-D43 VanDerWaalsContact C-N 3.34Å; L41-S44 PolarHBondContact O-N 3.09Å; L41-I45 HydrophobicContact CD1-CD1 4.1Å; L41-I45 HydrophobicContact CD1-CG1 4.43Å; L41-I45 HydrophobicContact CD2-CD1 4.49Å; L41-I45 HydrophobicContact CG-CD1 3.86Å; L41-I45 WeakPolarHBondContact O-CB 3.34Å; L41-I45 WeakPolarHBondContact O-CD1 3.27Å; L41-I45 WeakPolarHBondContact O-CG1 3.48Å; L41-I45 PolarHBondContact O-N 3.35Å; L41-L57 HydrophobicContact CD2-CD1 3.74Å; L41-L57 HydrophobicContact CD2-CD2 4.03Å; L41-W63 HydrophobicContact CD2-CH2 4.41Å |
| 42 | M | 77.7 | Confident | 74 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 14% | 0.143 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.1 | -34.1 | 179.9 | -74 | -62.6 | -61.6 | 0 | 0 | 112.4 | K38 T39 E40 I45 K46 Y54 W63 L69 | K38-M42 HydrophobicContact CG-CG 4.44Å; K38-M42 WeakPolarHBondContact O-CB 3.41Å; K38-M42 WeakPolarHBondContact O-CG 2.94Å; K38-M42 PolarHBondContact O-N 2.83Å; T39-M42 PolarHBondContact O-N 3.05Å; T39-M42 VanDerWaalsContact O-N 3.16Å; E40-M42 PolarHBondContact O-N 3.47Å; M42-I45 PolarHBondContact O-N 3.09Å; M42-I45 HydrophobicContact SD-CD1 4.47Å; M42-K46 WeakPolarHBondContact O-CB 3.24Å; M42-K46 VanDerWaalsContact O-CG 3.23Å; M42-K46 WeakPolarHBondContact O-CG 3.36Å; M42-K46 PolarHBondContact O-N 3.38Å; M42-Y54 HydrophobicContact CE-CE2 3.86Å; M42-Y54 HydrophobicContact SD-CD2 4.39Å; M42-Y54 HydrophobicContact SD-CE2 3.82Å; M42-W63 HydrophobicContact SD-CZ3 4.36Å; M42-L69 HydrophobicContact CE-CD2 3.85Å |
| 43 | D | 82.3 | Confident | 74.7 | Confident | 80 Ų | 80 | 64.4 Ų | 64.4 | 43% | 0.428 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.1 | -44.5 | 176.1 | -67.4 | -21.7 | 0 | 0 | 0 | 110.3 | T39 E40 L41 I45 K46 E47 | T39-D43 WeakPolarHBondContact O-CB 3.17Å; T39-D43 PolarHBondContact O-N 3.34Å; E40-D43 PolarHBondContact O-N 3.36Å; L41-D43 VanDerWaalsContact C-N 3.34Å; D43-I45 VanDerWaalsContact C-N 3.31Å; D43-I45 PolarHBondContact O-N 3.41Å; D43-K46 PolarHBondContact O-N 2.8Å; D43-K46 VanDerWaalsContact O-N 3.15Å; D43-E47 WeakPolarHBondContact O-CG 3.48Å; D43-E47 PolarHBondContact O-N 3.44Å |
| 44 | S | 75.3 | Confident | 75.5 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -35.3 | 173.1 | -57.9 | 0 | 0 | 0 | 0 | 113.4 | E40 L41 N48 | E40-S44 PolarHBondContact O-N 3.22Å; E40-S44 PolarHBondContact O-OG 2.93Å; L41-S44 PolarHBondContact O-N 3.09Å; S44-N48 WeakPolarHBondContact O-CB 3.48Å; S44-N48 PolarHBondContact O-N 2.88Å; S44-N48 PolarHBondContact O-ND2 3.19Å |
| 45 | I | 78.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 175.9 | -71.8 | 167.7 | 0 | 0 | 0 | 111 | L41 M42 D43 N49 M50 Y54 L57 M73 | L41-I45 HydrophobicContact CD1-CD1 4.1Å; L41-I45 HydrophobicContact CD1-CG1 4.43Å; L41-I45 HydrophobicContact CD2-CD1 4.49Å; L41-I45 HydrophobicContact CG-CD1 3.86Å; L41-I45 WeakPolarHBondContact O-CB 3.34Å; L41-I45 WeakPolarHBondContact O-CD1 3.27Å; L41-I45 WeakPolarHBondContact O-CG1 3.48Å; L41-I45 PolarHBondContact O-N 3.35Å; M42-I45 PolarHBondContact O-N 3.09Å; M42-I45 HydrophobicContact SD-CD1 4.47Å; D43-I45 VanDerWaalsContact C-N 3.31Å; D43-I45 PolarHBondContact O-N 3.41Å; I45-N49 WeakPolarHBondContact O-CA 3.37Å; I45-N49 PolarHBondContact O-N 2.94Å; I45-M50 HydrophobicContact CG2-CB 4.44Å; I45-M50 PolarHBondContact O-N 2.96Å; I45-M50 VanDerWaalsContact O-N 3.14Å; I45-Y54 HydrophobicContact CD1-CD2 4.22Å; I45-Y54 HydrophobicContact CG2-CD2 4.17Å; I45-Y54 HydrophobicContact CG2-CG 4.38Å; I45-L57 HydrophobicContact CD1-CD2 4.45Å; I45-M73 HydrophobicContact CG2-SD 4.12Å |
| 46 | K | 79.1 | Confident | 76 | Confident | 96 Ų | 96 | 52 Ų | 52 | 42% | 0.417 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.3 | -43.3 | 177.9 | -74.2 | 169.4 | -173.3 | 168.9 | 0 | 112.1 | M42 D43 N48 N49 L69 | M42-K46 WeakPolarHBondContact O-CB 3.24Å; M42-K46 VanDerWaalsContact O-CG 3.23Å; M42-K46 WeakPolarHBondContact O-CG 3.36Å; M42-K46 PolarHBondContact O-N 3.38Å; D43-K46 PolarHBondContact O-N 2.8Å; D43-K46 VanDerWaalsContact O-N 3.15Å; K46-N48 VanDerWaalsContact C-N 3.29Å; K46-N48 PolarHBondContact O-N 3.09Å; K46-N49 PolarHBondContact O-N 3.39Å; K46-N49 PolarHBondContact O-OD1 3Å; K46-L69 HydrophobicContact CG-CD1 4.34Å; K46-L69 HydrophobicContact CG-CD2 4.4Å |
| 47 | E | 78.2 | Confident | 75.9 | Confident | 153 Ų | 153 | 43.6 Ų | 43.6 | 72% | 0.715 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.6 | -39.3 | 178.1 | -75.1 | 179.3 | 172.3 | 0 | 0 | 111.8 | D43 | D43-E47 WeakPolarHBondContact O-CG 3.48Å; D43-E47 PolarHBondContact O-N 3.44Å |
| 48 | N | 70.6 | Confident | 75.9 | Confident | 38 Ų | 38 | 42.8 Ų | 42.8 | 20% | 0.203 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -0.1 | -177.1 | -67.3 | -56.3 | 0 | 0 | 0 | 114.5 | S44 K46 M50 R113 | S44-N48 WeakPolarHBondContact O-CB 3.48Å; S44-N48 PolarHBondContact O-N 2.88Å; S44-N48 PolarHBondContact O-ND2 3.19Å; K46-N48 VanDerWaalsContact C-N 3.29Å; K46-N48 PolarHBondContact O-N 3.09Å; N48-M50 VanDerWaalsContact C-N 3.29Å; N48-M50 HydrophobicContact CB-CG 3.53Å; N48-M50 HydrophobicContact CB-SD 4.16Å; N48-M50 PolarHBondContact O-N 3.04Å; N48-R113 HydrophobicContact CB-CG 3.94Å |
| 49 | N | 71.8 | Confident | 76 | Confident | 52 Ų | 52 | 46.2 Ų | 46.2 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 46.6 | -175.6 | -63.9 | -63.1 | 0 | 0 | 0 | 113.5 | I45 K46 A51 N77 | I45-N49 WeakPolarHBondContact O-CA 3.37Å; I45-N49 PolarHBondContact O-N 2.94Å; K46-N49 PolarHBondContact O-N 3.39Å; K46-N49 PolarHBondContact O-OD1 3Å; N49-A51 VanDerWaalsContact C-N 3.26Å; N49-A51 PolarHBondContact O-N 3.02Å; N49-N77 VanDerWaalsContact CB-OD1 3.25Å; N49-N77 WeakPolarHBondContact CB-OD1 3.48Å; N49-N77 PolarHBondContact O-ND2 2.96Å; N49-N77 PolarHBondContact O-OD1 2.84Å |
| 50 | M | 71.8 | Confident | 75.7 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | trans | -78.9 | 62.3 | -172.1 | -46.2 | -173.5 | 86.1 | 0 | 0 | 113.5 | I19 I45 N48 Y53 Y54 R113 I114 | I19-M50 HydrophobicContact CD1-CE 4.22Å; I19-M50 HydrophobicContact CD1-SD 3.61Å; I45-M50 HydrophobicContact CG2-CB 4.44Å; I45-M50 PolarHBondContact O-N 2.96Å; I45-M50 VanDerWaalsContact O-N 3.14Å; N48-M50 VanDerWaalsContact C-N 3.29Å; N48-M50 HydrophobicContact CB-CG 3.53Å; N48-M50 HydrophobicContact CB-SD 4.16Å; N48-M50 PolarHBondContact O-N 3.04Å; M50-Y53 HydrophobicContact CE-CD1 4.5Å; M50-Y53 PolarHBondContact O-N 3.48Å; M50-Y53 HydrophobicContact SD-CD1 4.28Å; M50-Y54 WeakPolarHBondContact O-CB 3.37Å; M50-Y54 PolarHBondContact O-N 2.72Å; M50-R113 WeakPolarHBondContact CE-O 3.36Å; M50-R113 VanDerWaalsContact CG-O 3.31Å; M50-R113 WeakPolarHBondContact CG-O 3.36Å; M50-I114 WeakPolarHBondContact CA-O 3.42Å | ||
| 51 | A | 70.4 | Confident | 75.4 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -50.3 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | N49 Y53 Y54 E55 M73 K74 | N49-A51 VanDerWaalsContact C-N 3.26Å; N49-A51 PolarHBondContact O-N 3.02Å; A51-Y53 VanDerWaalsContact C-N 3.33Å; A51-Y53 PolarHBondContact O-N 2.9Å; A51-Y54 PolarHBondContact O-N 3.14Å; A51-E55 PolarHBondContact O-N 3.41Å; A51-E55 VanDerWaalsContact O-N 3.09Å; A51-M73 HydrophobicContact CB-CB 3.97Å; A51-K74 HydrophobicContact CB-CG 4.08Å |
| 52 | P | 73.3 | Confident | 75.1 | Confident | 44 Ų | 44 | 51 Ų | 51 | 29% | 0.286 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 176.5 | -24.7 | 33.6 | 0 | 0 | 0 | 113.4 | E55 S56 I114 N116 | P52-E55 PolarHBondContact O-N 3.08Å; P52-S56 PolarHBondContact O-N 3Å; P52-I114 WeakPolarHBondContact CD-O 3.4Å; P52-N116 HydrophobicContact CG-CB 4.33Å |
| 53 | Y | 71.9 | Confident | 75.1 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 177.4 | -173.2 | -111.2 | 0 | 0 | 0 | 111.4 | I19 K23 M50 A51 E55 S56 L57 F150 | I19-Y53 HydrophobicContact CG2-CD1 4.31Å; I19-Y53 HydrophobicContact CG2-CE1 3.47Å; I19-Y53 VanDerWaalsContact CG2-CE1 3.47Å; K23-Y53 VanDerWaalsContact CD-OH 3.27Å; K23-Y53 WeakPolarHBondContact CD-OH 3.25Å; M50-Y53 HydrophobicContact CE-CD1 4.5Å; M50-Y53 PolarHBondContact O-N 3.48Å; M50-Y53 HydrophobicContact SD-CD1 4.28Å; A51-Y53 VanDerWaalsContact C-N 3.33Å; A51-Y53 PolarHBondContact O-N 2.9Å; Y53-E55 VanDerWaalsContact C-N 3.34Å; Y53-E55 PolarHBondContact O-N 3.24Å; Y53-S56 PolarHBondContact O-N 3.44Å; Y53-S56 PolarHBondContact O-OG 3.28Å; Y53-L57 HydrophobicContact CE1-CD1 3.86Å; Y53-L57 VanDerWaalsContact O-CB 3.29Å; Y53-L57 WeakPolarHBondContact O-CB 3.44Å; Y53-L57 PolarHBondContact O-N 3.08Å; Y53-F150 HydrophobicContact CD2-CE1 4Å; Y53-F150 HydrophobicContact CD2-CZ 4.13Å; Y53-F150 HydrophobicContact CE1-CZ 4.32Å; Y53-F150 AromaticContact CE2-CE1 3.45Å; Y53-F150 HydrophobicContact CE2-CE1 3.45Å; Y53-F150 VanDerWaalsContact CE2-CE1 3.45Å; Y53-F150 AromaticContact CE2-CZ 3.43Å; Y53-F150 HydrophobicContact CE2-CZ 3.43Å; Y53-F150 VanDerWaalsContact CE2-CZ 3.43Å; Y53-F150 AromaticContact CZ-CZ 3.52Å |
| 54 | Y | 73.9 | Confident | 74.6 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 175.7 | 180 | -110.4 | 0 | 0 | 0 | 112.6 | M42 I45 M50 A51 L57 C58 L65 D66 L70 M73 | M42-Y54 HydrophobicContact CE-CE2 3.86Å; M42-Y54 HydrophobicContact SD-CD2 4.39Å; M42-Y54 HydrophobicContact SD-CE2 3.82Å; I45-Y54 HydrophobicContact CD1-CD2 4.22Å; I45-Y54 HydrophobicContact CG2-CD2 4.17Å; I45-Y54 HydrophobicContact CG2-CG 4.38Å; M50-Y54 WeakPolarHBondContact O-CB 3.37Å; M50-Y54 PolarHBondContact O-N 2.72Å; A51-Y54 PolarHBondContact O-N 3.14Å; Y54-L57 PolarHBondContact O-N 3.37Å; Y54-C58 VanDerWaalsContact CE2-SG 3.51Å; Y54-C58 WeakPolarHBondContact O-CB 3.47Å; Y54-C58 PolarHBondContact O-N 3.4Å; Y54-C58 PolarHBondContact O-SG 3.31Å; Y54-L65 HydrophobicContact CD1-CD2 4.47Å; Y54-L65 HydrophobicContact CE1-CD2 3.93Å; Y54-D66 PolarHBondContact OH-N 3.21Å; Y54-L70 HydrophobicContact CD1-CD1 4.29Å; Y54-M73 HydrophobicContact CD1-CE 3.94Å; Y54-M73 HydrophobicContact CE1-CE 4.48Å; Y54-M73 HydrophobicContact CG-CE 4.22Å |
| 55 | E | 76.4 | Confident | 74.5 | Confident | 56 Ų | 56 | 60.1 Ų | 60.1 | 26% | 0.262 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 173.8 | -71.4 | -177.2 | -176.4 | 0 | 0 | 112.1 | A51 P52 Y53 L57 K59 L70 K74 | A51-E55 PolarHBondContact O-N 3.41Å; A51-E55 VanDerWaalsContact O-N 3.09Å; P52-E55 PolarHBondContact O-N 3.08Å; Y53-E55 VanDerWaalsContact C-N 3.34Å; Y53-E55 PolarHBondContact O-N 3.24Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-K59 WeakPolarHBondContact O-CG 3.36Å; E55-K59 PolarHBondContact O-N 3.34Å; E55-L70 HydrophobicContact CG-CD1 3.49Å; E55-L70 VanDerWaalsContact CG-CD1 3.49Å; E55-K74 WeakPolarHBondContact OE1-CE 3.38Å; E55-K74 IonicContact OE1-NZ 2.67Å; E55-K74 PolarHBondContact OE1-NZ 3.37Å |
| 56 | S | 75.6 | Confident | 74.5 | Confident | 39 Ų | 39 | 63.9 Ų | 63.9 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 176.1 | 75.3 | 0 | 0 | 0 | 0 | 112 | P52 Y53 K59 D60 | P52-S56 PolarHBondContact O-N 3Å; Y53-S56 PolarHBondContact O-N 3.44Å; Y53-S56 PolarHBondContact O-OG 3.28Å; S56-K59 WeakPolarHBondContact O-CB 3.48Å; S56-K59 PolarHBondContact O-N 3.1Å; S56-D60 VanDerWaalsContact O-CG 3.3Å; S56-D60 PolarHBondContact O-N 3.46Å |
| 57 | L | 74.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.5 | -40.5 | -178.8 | -171.2 | 126.2 | 0 | 0 | 0 | 111.7 | K23 L41 I45 Y53 Y54 E55 K59 D60 L61 W63 | K23-L57 HydrophobicContact CB-CD1 4.15Å; K23-L57 HydrophobicContact CD-CD1 4.05Å; K23-L57 HydrophobicContact CG-CD1 3.92Å; L41-L57 HydrophobicContact CD2-CD1 3.74Å; L41-L57 HydrophobicContact CD2-CD2 4.03Å; I45-L57 HydrophobicContact CD1-CD2 4.45Å; Y53-L57 HydrophobicContact CE1-CD1 3.86Å; Y53-L57 VanDerWaalsContact O-CB 3.29Å; Y53-L57 WeakPolarHBondContact O-CB 3.44Å; Y53-L57 PolarHBondContact O-N 3.08Å; Y54-L57 PolarHBondContact O-N 3.37Å; E55-L57 VanDerWaalsContact C-N 3.34Å; L57-K59 VanDerWaalsContact C-N 3.3Å; L57-K59 PolarHBondContact O-N 2.84Å; L57-D60 PolarHBondContact O-N 3.13Å; L57-L61 HydrophobicContact CD1-CD1 4.28Å; L57-L61 HydrophobicContact CD2-CD1 3.6Å; L57-L61 HydrophobicContact CG-CD1 3.68Å; L57-L61 HydrophobicContact CG-CG 4.45Å; L57-L61 WeakPolarHBondContact O-CB 3.24Å; L57-L61 PolarHBondContact O-N 2.84Å; L57-W63 HydrophobicContact CD2-CE3 3.9Å; L57-W63 HydrophobicContact CD2-CZ3 3.74Å |
| 58 | C | 76.1 | Confident | 74.5 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.034 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.8 | -36.1 | 174.6 | -70.8 | 0 | 0 | 0 | 0 | 112 | Y54 K62 W63 L65 | Y54-C58 VanDerWaalsContact CE2-SG 3.51Å; Y54-C58 WeakPolarHBondContact O-CB 3.47Å; Y54-C58 PolarHBondContact O-N 3.4Å; Y54-C58 PolarHBondContact O-SG 3.31Å; C58-K62 CarbonylContact O-C 3.37Å; C58-K62 VanDerWaalsContact O-CA 3.25Å; C58-K62 WeakPolarHBondContact O-CA 3.44Å; C58-K62 PolarHBondContact O-N 3.39Å; C58-W63 PolarHBondContact O-N 3.11Å; C58-W63 VanDerWaalsContact O-N 3.09Å; C58-L65 HydrophobicContact CB-CD1 4.29Å; C58-L65 HydrophobicContact CB-CG 4.12Å |
| 59 | K | 77 | Confident | 74.9 | Confident | 155 Ų | 155 | 60.9 Ų | 60.9 | 67% | 0.674 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -66.2 | -47.4 | 173.6 | -71.2 | 172.6 | -176 | 173.5 | 0 | 111.6 | E55 S56 L57 | E55-K59 WeakPolarHBondContact O-CG 3.36Å; E55-K59 PolarHBondContact O-N 3.34Å; S56-K59 WeakPolarHBondContact O-CB 3.48Å; S56-K59 PolarHBondContact O-N 3.1Å; L57-K59 VanDerWaalsContact C-N 3.3Å; L57-K59 PolarHBondContact O-N 2.84Å |
| 60 | D | 75.4 | Confident | 75.2 | Confident | 98 Ų | 98 | 59 Ų | 59 | 52% | 0.524 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.7 | -44.4 | -177.5 | -69.8 | -13.9 | 0 | 0 | 0 | 112.2 | K23 S56 L57 | K23-D60 VanDerWaalsContact CE-OD2 3.31Å; K23-D60 WeakPolarHBondContact CE-OD2 3.5Å; K23-D60 IonicContact NZ-OD2 3.06Å; K23-D60 PolarHBondContact NZ-OD2 3.11Å; S56-D60 VanDerWaalsContact O-CG 3.3Å; S56-D60 PolarHBondContact O-N 3.46Å; L57-D60 PolarHBondContact O-N 3.13Å |
| 61 | L | 73.2 | Confident | 75.7 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -88 | -5.1 | -177.4 | -65.3 | 171.7 | 0 | 0 | 0 | 113.5 | L26 L57 W63 | L26-L61 HydrophobicContact CB-CD1 4.3Å; L26-L61 HydrophobicContact CB-CD2 4.08Å; L26-L61 HydrophobicContact CD1-CD1 4.41Å; L57-L61 HydrophobicContact CD1-CD1 4.28Å; L57-L61 HydrophobicContact CD2-CD1 3.6Å; L57-L61 HydrophobicContact CG-CD1 3.68Å; L57-L61 HydrophobicContact CG-CG 4.45Å; L57-L61 WeakPolarHBondContact O-CB 3.24Å; L57-L61 PolarHBondContact O-N 2.84Å; L61-W63 VanDerWaalsContact C-N 3.25Å; L61-W63 HydrophobicContact CB-CD2 4.06Å; L61-W63 HydrophobicContact CB-CG 4.01Å; L61-W63 HydrophobicContact CD1-CD2 4.15Å; L61-W63 HydrophobicContact CD1-CE3 4.22Å; L61-W63 HydrophobicContact CD1-CH2 3.88Å; L61-W63 HydrophobicContact CD1-CZ2 3.8Å; L61-W63 HydrophobicContact CD1-CZ3 4.09Å; L61-W63 PolarHBondContact O-N 3.13Å |
| 62 | K | 73.9 | Confident | 76.4 | Confident | 179 Ų | 179 | 70.6 Ų | 70.6 | 78% | 0.778 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 40.5 | -173.3 | -56.8 | -178.9 | 179.9 | -179.6 | 0 | 112.7 | C58 | C58-K62 CarbonylContact O-C 3.37Å; C58-K62 VanDerWaalsContact O-CA 3.25Å; C58-K62 WeakPolarHBondContact O-CA 3.44Å; C58-K62 PolarHBondContact O-N 3.39Å |
| 63 | W | 77.5 | Confident | 76.8 | Confident | 55 Ų | 55 | 68.6 Ų | 68.6 | 21% | 0.208 | 34% | 0.337 | C | S | . | . | trans | -82.6 | 153 | 177.1 | -74 | -3 | 0 | 0 | 0 | 111.6 | L26 K38 L41 M42 L57 C58 L61 L65 | L26-W63 HydrophobicContact CD1-CH2 3.69Å; L26-W63 HydrophobicContact CD1-CZ2 4.09Å; L26-W63 HydrophobicContact CD2-CZ2 4.29Å; K38-W63 HydrophobicContact CB-CH2 4.18Å; K38-W63 HydrophobicContact CD-CH2 3.88Å; K38-W63 HydrophobicContact CD-CZ2 3.85Å; K38-W63 HydrophobicContact CD-CZ3 4.49Å; K38-W63 HydrophobicContact CG-CH2 3.56Å; K38-W63 HydrophobicContact CG-CZ2 4.02Å; K38-W63 HydrophobicContact CG-CZ3 4.16Å; L41-W63 HydrophobicContact CD2-CH2 4.41Å; M42-W63 HydrophobicContact SD-CZ3 4.36Å; L57-W63 HydrophobicContact CD2-CE3 3.9Å; L57-W63 HydrophobicContact CD2-CZ3 3.74Å; C58-W63 PolarHBondContact O-N 3.11Å; C58-W63 VanDerWaalsContact O-N 3.09Å; L61-W63 VanDerWaalsContact C-N 3.25Å; L61-W63 HydrophobicContact CB-CD2 4.06Å; L61-W63 HydrophobicContact CB-CG 4.01Å; L61-W63 HydrophobicContact CD1-CD2 4.15Å; L61-W63 HydrophobicContact CD1-CE3 4.22Å; L61-W63 HydrophobicContact CD1-CH2 3.88Å; L61-W63 HydrophobicContact CD1-CZ2 3.8Å; L61-W63 HydrophobicContact CD1-CZ3 4.09Å; L61-W63 PolarHBondContact O-N 3.13Å; W63-L65 PolarHBondContact O-N 3.43Å | ||
| 64 | Q | 71.3 | Confident | 77.4 | Confident | 191 Ų | 191 | 72.2 Ų | 72.2 | 89% | 0.893 | 35% | 0.353 | S | S | * | . | trans | -67.8 | 129.4 | 170.8 | -75 | -175.4 | -23.8 | 0 | 0 | 109.4 | D66 | Q64-D66 PolarHBondContact O-N 3.35Š| ||
| 65 | L | 73.1 | Confident | 78 | Confident | 78 Ų | 78 | 78.4 Ų | 78.4 | 41% | 0.408 | 38% | 0.379 | S | S | . | . | trans | -81.9 | 115.9 | -175.3 | -134.2 | 158.3 | 0 | 0 | 0 | 108.7 | Y54 C58 W63 T67 L70 | Y54-L65 HydrophobicContact CD1-CD2 4.47Å; Y54-L65 HydrophobicContact CE1-CD2 3.93Å; C58-L65 HydrophobicContact CB-CD1 4.29Å; C58-L65 HydrophobicContact CB-CG 4.12Å; W63-L65 PolarHBondContact O-N 3.43Å; L65-T67 PolarHBondContact O-N 2.8Å; L65-T67 VanDerWaalsContact O-N 3.17Å; L65-L70 HydrophobicContact CD2-CB 4.32Å; L65-L70 HydrophobicContact CD2-CD1 3.46Å; L65-L70 VanDerWaalsContact CD2-CD1 3.46Å; L65-L70 HydrophobicContact CD2-CG 4.48Å | ||
| 66 | D | 78.5 | Confident | 78.4 | Confident | 78 Ų | 78 | 77.5 Ų | 77.5 | 42% | 0.417 | 38% | 0.382 | S | S | . | . | trans | -78.5 | 98.8 | 173.6 | -168.8 | -18.9 | 0 | 0 | 0 | 109 | Y54 Q64 D68 L69 L70 | Y54-D66 PolarHBondContact OH-N 3.21Å; Q64-D66 PolarHBondContact O-N 3.35Å; D66-D68 VanDerWaalsContact C-N 3.27Å; D66-D68 PolarHBondContact O-N 3.31Å; D66-D68 PolarHBondContact OD1-N 2.95Å; D66-L69 HydrophobicContact CB-CB 4.06Å; D66-L69 PolarHBondContact OD1-N 3.44Å; D66-L70 WeakPolarHBondContact O-CB 3.12Å; D66-L70 PolarHBondContact O-N 3.36Å | ||
| 67 | T | 77.5 | Confident | 78.9 | Confident | 85 Ų | 85 | 76.1 Ų | 76.1 | 52% | 0.521 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.9 | -31 | -175.3 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | L65 N71 | L65-T67 PolarHBondContact O-N 2.8Å; L65-T67 VanDerWaalsContact O-N 3.17Å; T67-N71 WeakPolarHBondContact O-CB 3.19Å; T67-N71 PolarHBondContact O-N 3.5Å; T67-N71 PolarHBondContact O-ND2 3.21Å; T67-N71 VanDerWaalsContact O-ND2 3.13Å |
| 68 | D | 80.8 | Confident | 79.4 | Confident | 108 Ų | 108 | 81.3 Ų | 81.3 | 58% | 0.578 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -75.9 | -40.3 | -177.5 | -68.4 | -14.7 | 0 | 0 | 0 | 110.9 | D66 K72 | D66-D68 VanDerWaalsContact C-N 3.27Å; D66-D68 PolarHBondContact O-N 3.31Å; D66-D68 PolarHBondContact OD1-N 2.95Å; D68-K72 VanDerWaalsContact O-CG 3.31Å; D68-K72 WeakPolarHBondContact O-CG 3.33Å; D68-K72 PolarHBondContact O-N 3.16Å; D68-K72 VanDerWaalsContact O-N 3.15Å |
| 69 | L | 78.1 | Confident | 80 | Confident | 31 Ų | 31 | 85 Ų | 85 | 16% | 0.162 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 173.8 | -172.4 | 64.9 | 0 | 0 | 0 | 111.1 | M42 K46 D66 N71 K72 M73 | M42-L69 HydrophobicContact CE-CD2 3.85Å; K46-L69 HydrophobicContact CG-CD1 4.34Å; K46-L69 HydrophobicContact CG-CD2 4.4Å; D66-L69 HydrophobicContact CB-CB 4.06Å; D66-L69 PolarHBondContact OD1-N 3.44Å; L69-N71 PolarHBondContact O-N 3.44Å; L69-K72 PolarHBondContact O-N 3.45Å; L69-M73 HydrophobicContact CD2-CE 4.36Å; L69-M73 HydrophobicContact CG-CE 3.93Å; L69-M73 HydrophobicContact CG-SD 4.46Å; L69-M73 WeakPolarHBondContact O-CG 3.35Å; L69-M73 PolarHBondContact O-N 3.4Å |
| 70 | L | 79.6 | Confident | 80.3 | Confident | 13 Ų | 13 | 80.6 Ų | 80.6 | 7% | 0.068 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 178.7 | 179.5 | 144.5 | 0 | 0 | 0 | 112.4 | Y54 E55 L65 D66 M73 K74 | Y54-L70 HydrophobicContact CD1-CD1 4.29Å; E55-L70 HydrophobicContact CG-CD1 3.49Å; E55-L70 VanDerWaalsContact CG-CD1 3.49Å; L65-L70 HydrophobicContact CD2-CB 4.32Å; L65-L70 HydrophobicContact CD2-CD1 3.46Å; L65-L70 VanDerWaalsContact CD2-CD1 3.46Å; L65-L70 HydrophobicContact CD2-CG 4.48Å; D66-L70 WeakPolarHBondContact O-CB 3.12Å; D66-L70 PolarHBondContact O-N 3.36Å; L70-M73 PolarHBondContact O-N 2.81Å; L70-K74 HydrophobicContact CD2-CD 3.69Å; L70-K74 VanDerWaalsContact CD2-CE 3.45Å; L70-K74 HydrophobicContact CD2-CG 4.29Å; L70-K74 HydrophobicContact CG-CD 4.43Å; L70-K74 WeakPolarHBondContact O-CB 3.34Å; L70-K74 WeakPolarHBondContact O-CG 3.24Å; L70-K74 PolarHBondContact O-N 3.29Å |
| 71 | N | 82.4 | Confident | 80.8 | Confident | 95 Ų | 95 | 77.8 Ų | 77.8 | 51% | 0.508 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67 | -37 | 177.4 | -73 | -24.9 | 0 | 0 | 0 | 112.3 | T67 L69 K75 | T67-N71 WeakPolarHBondContact O-CB 3.19Å; T67-N71 PolarHBondContact O-N 3.5Å; T67-N71 PolarHBondContact O-ND2 3.21Å; T67-N71 VanDerWaalsContact O-ND2 3.13Å; L69-N71 PolarHBondContact O-N 3.44Å; N71-K75 WeakPolarHBondContact O-CB 3.49Å; N71-K75 PolarHBondContact O-N 3.04Å |
| 72 | K | 84.6 | Confident | 81.6 | Confident | 154 Ų | 154 | 82.8 Ų | 82.8 | 67% | 0.67 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.4 | -46.1 | 172.7 | -74 | 172.3 | -177 | 174.8 | 0 | 111.6 | D68 L69 K75 A76 | D68-K72 VanDerWaalsContact O-CG 3.31Å; D68-K72 WeakPolarHBondContact O-CG 3.33Å; D68-K72 PolarHBondContact O-N 3.16Å; D68-K72 VanDerWaalsContact O-N 3.15Å; L69-K72 PolarHBondContact O-N 3.45Å; K72-K75 PolarHBondContact O-N 3.21Å; K72-A76 PolarHBondContact O-N 3.38Å |
| 73 | M | 81.6 | Confident | 82.4 | Confident | 3 Ų | 3 | 81.7 Ų | 81.7 | 2% | 0.015 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 178 | -68.7 | -175.4 | -66.4 | 0 | 0 | 112 | I45 A51 Y54 L69 L70 K75 A76 N77 | I45-M73 HydrophobicContact CG2-SD 4.12Å; A51-M73 HydrophobicContact CB-CB 3.97Å; Y54-M73 HydrophobicContact CD1-CE 3.94Å; Y54-M73 HydrophobicContact CE1-CE 4.48Å; Y54-M73 HydrophobicContact CG-CE 4.22Å; L69-M73 HydrophobicContact CD2-CE 4.36Å; L69-M73 HydrophobicContact CG-CE 3.93Å; L69-M73 HydrophobicContact CG-SD 4.46Å; L69-M73 WeakPolarHBondContact O-CG 3.35Å; L69-M73 PolarHBondContact O-N 3.4Å; L70-M73 PolarHBondContact O-N 2.81Å; M73-K75 PolarHBondContact O-N 3.26Å; M73-A76 PolarHBondContact O-N 3.43Å; M73-N77 WeakPolarHBondContact O-CB 3.46Å; M73-N77 PolarHBondContact O-N 2.88Å; M73-N77 PolarHBondContact O-OD1 3.11Å |
| 74 | K | 84.1 | Confident | 82.8 | Confident | 79 Ų | 79 | 80.1 Ų | 80.1 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 176 | -77.2 | -174.1 | 178.6 | 179.6 | 0 | 112.1 | A51 E55 L70 N77 E78 | A51-K74 HydrophobicContact CB-CG 4.08Å; E55-K74 WeakPolarHBondContact OE1-CE 3.38Å; E55-K74 IonicContact OE1-NZ 2.67Å; E55-K74 PolarHBondContact OE1-NZ 3.37Å; L70-K74 HydrophobicContact CD2-CD 3.69Å; L70-K74 VanDerWaalsContact CD2-CE 3.45Å; L70-K74 HydrophobicContact CD2-CG 4.29Å; L70-K74 HydrophobicContact CG-CD 4.43Å; L70-K74 WeakPolarHBondContact O-CB 3.34Å; L70-K74 WeakPolarHBondContact O-CG 3.24Å; L70-K74 PolarHBondContact O-N 3.29Å; K74-N77 PolarHBondContact O-N 2.88Å; K74-E78 WeakPolarHBondContact O-CG 3.46Å; K74-E78 PolarHBondContact O-N 2.82Å |
| 75 | K | 86.6 | Confident | 83.6 | Confident | 136 Ų | 136 | 73.4 Ų | 73.4 | 59% | 0.591 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.3 | -46.6 | 177.8 | -172.4 | 175.6 | 179 | 179.7 | 0 | 111.9 | N71 K72 M73 N77 E78 D79 | N71-K75 WeakPolarHBondContact O-CB 3.49Å; N71-K75 PolarHBondContact O-N 3.04Å; K72-K75 PolarHBondContact O-N 3.21Å; M73-K75 PolarHBondContact O-N 3.26Å; K75-N77 VanDerWaalsContact C-N 3.28Å; K75-N77 PolarHBondContact O-N 3.33Å; K75-E78 PolarHBondContact O-N 3.05Å; K75-D79 VanDerWaalsContact O-CG 3.29Å; K75-D79 PolarHBondContact O-N 3.45Å |
| 76 | A | 85.3 | Confident | 84.3 | Confident | 38 Ų | 38 | 74.7 Ų | 74.7 | 31% | 0.314 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.6 | -38.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K72 M73 E80 | K72-A76 PolarHBondContact O-N 3.38Å; M73-A76 PolarHBondContact O-N 3.43Å; A76-E80 PolarHBondContact O-N 3.33Å; A76-E80 VanDerWaalsContact O-N 3.11Å |
| 77 | N | 84.9 | Confident | 84.7 | Confident | 9 Ų | 9 | 74.4 Ų | 74.4 | 5% | 0.048 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.1 | -40.9 | 177.1 | -71.5 | 0.1 | 0 | 0 | 0 | 112.6 | N49 M73 K74 K75 L81 Y110 I114 | N49-N77 VanDerWaalsContact CB-OD1 3.25Å; N49-N77 WeakPolarHBondContact CB-OD1 3.48Å; N49-N77 PolarHBondContact O-ND2 2.96Å; N49-N77 PolarHBondContact O-OD1 2.84Å; M73-N77 WeakPolarHBondContact O-CB 3.46Å; M73-N77 PolarHBondContact O-N 2.88Å; M73-N77 PolarHBondContact O-OD1 3.11Å; K74-N77 PolarHBondContact O-N 2.88Å; K75-N77 VanDerWaalsContact C-N 3.28Å; K75-N77 PolarHBondContact O-N 3.33Å; N77-L81 VanDerWaalsContact O-CB 3.23Å; N77-L81 WeakPolarHBondContact O-CB 3.42Å; N77-L81 WeakPolarHBondContact O-CD1 3.28Å; N77-L81 WeakPolarHBondContact O-CG 3.44Å; N77-L81 PolarHBondContact O-N 3.21Å; N77-Y110 WeakPolarHBondContact CA-OH 3.35Å; N77-Y110 PolarHBondContact OD1-OH 3.35Å; N77-I114 WeakPolarHBondContact ND2-CG2 3.4Å |
| 78 | E | 85.8 | Confident | 85 | Confident | 109 Ų | 109 | 71.1 Ų | 71.1 | 51% | 0.509 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 175.8 | -75.5 | 177.7 | -163.2 | 0 | 0 | 112 | K74 K75 K82 | K74-E78 WeakPolarHBondContact O-CG 3.46Å; K74-E78 PolarHBondContact O-N 2.82Å; K75-E78 PolarHBondContact O-N 3.05Å; E78-K82 WeakPolarHBondContact O-CB 3.33Å; E78-K82 VanDerWaalsContact O-CG 3.23Å; E78-K82 WeakPolarHBondContact O-CG 3.37Å; E78-K82 PolarHBondContact O-N 3.17Å |
| 79 | D | 88.1 | Confident | 85.3 | Confident | 83 Ų | 83 | 70.6 Ų | 70.6 | 44% | 0.444 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66 | -43 | -179.9 | -69.2 | -22.6 | 0 | 0 | 0 | 111.3 | K75 R83 | K75-D79 VanDerWaalsContact O-CG 3.29Å; K75-D79 PolarHBondContact O-N 3.45Å; D79-R83 PolarHBondContact O-N 2.93Å; D79-R83 VanDerWaalsContact O-N 3.08Å |
| 80 | E | 84.8 | Confident | 85.6 | Confident | 62 Ų | 62 | 73.2 Ų | 73.2 | 29% | 0.29 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -75.1 | -34.3 | 178.4 | -167 | 63.8 | -170.5 | 0 | 0 | 112.5 | A76 R83 L84 Y110 | A76-E80 PolarHBondContact O-N 3.33Å; A76-E80 VanDerWaalsContact O-N 3.11Å; E80-R83 PolarHBondContact O-N 3.27Å; E80-R83 IonicContact OE1-NH1 3.89Å; E80-R83 IonicContact OE2-NH1 2.94Å; E80-L84 HydrophobicContact CG-CD1 4.34Å; E80-L84 WeakPolarHBondContact O-CG 3.41Å; E80-L84 PolarHBondContact O-N 3.34Å; E80-Y110 HydrophobicContact CB-CE1 4.42Å; E80-Y110 HydrophobicContact CB-CE2 3.96Å; E80-Y110 WeakPolarHBondContact CB-OH 3.42Å; E80-Y110 HydrophobicContact CG-CD2 4.05Å; E80-Y110 HydrophobicContact CG-CE2 3.46Å; E80-Y110 VanDerWaalsContact CG-CE2 3.46Å |
| 81 | L | 85.9 | Confident | 85.8 | Confident | 39 Ų | 39 | 72.7 Ų | 72.7 | 20% | 0.204 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 172.3 | -79.1 | 170.4 | 0 | 0 | 0 | 111.6 | N77 L84 D85 Y110 L111 | N77-L81 VanDerWaalsContact O-CB 3.23Å; N77-L81 WeakPolarHBondContact O-CB 3.42Å; N77-L81 WeakPolarHBondContact O-CD1 3.28Å; N77-L81 WeakPolarHBondContact O-CG 3.44Å; N77-L81 PolarHBondContact O-N 3.21Å; L81-L84 PolarHBondContact O-N 3.47Å; L81-D85 WeakPolarHBondContact O-CB 3.36Å; L81-D85 PolarHBondContact O-N 3.18Å; L81-Y110 HydrophobicContact CD2-CD1 3.9Å; L81-Y110 HydrophobicContact CD2-CE1 4.24Å; L81-Y110 HydrophobicContact CG-CD1 4.2Å; L81-Y110 HydrophobicContact CG-CE1 4.01Å; L81-L111 HydrophobicContact CD2-CD2 3.93Å; L81-L111 HydrophobicContact CD2-CG 4.5Å |
| 82 | K | 89.4 | Confident | 85.8 | Confident | 114 Ų | 114 | 72.9 Ų | 72.9 | 50% | 0.496 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 174 | -75.4 | 168.9 | -170.5 | 163.9 | 0 | 111.3 | E78 L84 D85 D86 | E78-K82 WeakPolarHBondContact O-CB 3.33Å; E78-K82 VanDerWaalsContact O-CG 3.23Å; E78-K82 WeakPolarHBondContact O-CG 3.37Å; E78-K82 PolarHBondContact O-N 3.17Å; K82-L84 VanDerWaalsContact C-N 3.3Å; K82-L84 PolarHBondContact O-N 3.17Å; K82-D85 PolarHBondContact O-N 2.97Å; K82-D86 VanDerWaalsContact O-CG 3.24Å; K82-D86 PolarHBondContact O-N 3.26Å |
| 83 | R | 90.7 | Very high | 85.7 | Confident | 155 Ų | 155 | 72.5 Ų | 72.5 | 59% | 0.585 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.4 | -42.9 | 176.2 | -174.3 | -173 | 176.8 | -171.3 | -0.5 | 112.1 | D79 E80 D86 V87 | D79-R83 PolarHBondContact O-N 2.93Å; D79-R83 VanDerWaalsContact O-N 3.08Å; E80-R83 PolarHBondContact O-N 3.27Å; E80-R83 IonicContact OE1-NH1 3.89Å; E80-R83 IonicContact OE2-NH1 2.94Å; R83-D86 PolarHBondContact O-N 3.17Å; R83-V87 VanDerWaalsContact O-CG2 3.26Å; R83-V87 WeakPolarHBondContact O-CG2 3.02Å; R83-V87 PolarHBondContact O-N 3.46Å |
| 84 | L | 86.9 | Confident | 85.6 | Confident | 23 Ų | 23 | 77.8 Ų | 77.8 | 12% | 0.12 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.5 | -35.6 | 178.1 | -71.5 | 166.1 | 0 | 0 | 0 | 112.2 | E80 L81 K82 L88 A106 Y110 | E80-L84 HydrophobicContact CG-CD1 4.34Å; E80-L84 WeakPolarHBondContact O-CG 3.41Å; E80-L84 PolarHBondContact O-N 3.34Å; L81-L84 PolarHBondContact O-N 3.47Å; K82-L84 VanDerWaalsContact C-N 3.3Å; K82-L84 PolarHBondContact O-N 3.17Å; L84-L88 WeakPolarHBondContact O-CB 3.39Å; L84-L88 PolarHBondContact O-N 3.34Å; L84-A106 HydrophobicContact CD2-CB 4.28Å; L84-Y110 HydrophobicContact CD1-CD1 4.19Å; L84-Y110 HydrophobicContact CD1-CD2 4.15Å; L84-Y110 HydrophobicContact CD1-CG 3.77Å |
| 85 | D | 86.9 | Confident | 85.3 | Confident | 50 Ų | 50 | 78.4 Ų | 78.4 | 27% | 0.267 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.2 | -39.8 | 173.6 | -76.6 | -32.7 | 0 | 0 | 0 | 111.4 | L81 K82 V87 L88 E89 R107 | L81-D85 WeakPolarHBondContact O-CB 3.36Å; L81-D85 PolarHBondContact O-N 3.18Å; K82-D85 PolarHBondContact O-N 2.97Å; D85-V87 PolarHBondContact O-N 3.43Å; D85-L88 WeakPolarHBondContact O-CB 3.09Å; D85-L88 PolarHBondContact O-N 2.89Å; D85-E89 PolarHBondContact O-N 2.86Å; D85-R107 IonicContact OD1-CZ 2.69Å; D85-R107 IonicContact OD1-NE 3.48Å; D85-R107 PolarHBondContact OD1-NE 3.28Å; D85-R107 IonicContact OD1-NH1 3.12Å; D85-R107 PolarHBondContact OD1-NH1 3.24Å; D85-R107 IonicContact OD1-NH2 2.91Å; D85-R107 PolarHBondContact OD1-NH2 3.32Å; D85-R107 VanDerWaalsContact OD1-NH2 3.17Å; D85-R107 IonicContact OD2-NH2 3.26Å |
| 86 | D | 87.9 | Confident | 85 | Confident | 104 Ų | 104 | 73.6 Ų | 73.6 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.1 | -41.8 | 174.6 | -69 | -26.4 | 0 | 0 | 0 | 111.6 | K82 R83 L88 E89 D90 | K82-D86 VanDerWaalsContact O-CG 3.24Å; K82-D86 PolarHBondContact O-N 3.26Å; R83-D86 PolarHBondContact O-N 3.17Å; D86-L88 VanDerWaalsContact C-N 3.31Å; D86-E89 PolarHBondContact O-N 3.03Å; D86-D90 WeakPolarHBondContact O-CB 3.37Å; D86-D90 PolarHBondContact O-N 3.35Å |
| 87 | V | 85.9 | Confident | 84.6 | Confident | 73 Ų | 73 | 79.6 Ų | 79.6 | 44% | 0.442 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 174.9 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | R83 D85 D90 A91 A103 | R83-V87 VanDerWaalsContact O-CG2 3.26Å; R83-V87 WeakPolarHBondContact O-CG2 3.02Å; R83-V87 PolarHBondContact O-N 3.46Å; D85-V87 PolarHBondContact O-N 3.43Å; V87-D90 PolarHBondContact O-N 2.99Å; V87-A91 VanDerWaalsContact O-CB 3.29Å; V87-A91 WeakPolarHBondContact O-CB 3.49Å; V87-A91 PolarHBondContact O-N 3.34Å; V87-A103 HydrophobicContact CG1-CB 4.26Å |
| 88 | L | 84.4 | Confident | 84.3 | Confident | 16 Ų | 16 | 81.8 Ų | 81.8 | 8% | 0.084 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68 | -42.5 | 176.3 | -174.4 | 152.8 | 0 | 0 | 0 | 111.1 | L84 D85 D86 A91 E92 A103 M104 | L84-L88 WeakPolarHBondContact O-CB 3.39Å; L84-L88 PolarHBondContact O-N 3.34Å; D85-L88 WeakPolarHBondContact O-CB 3.09Å; D85-L88 PolarHBondContact O-N 2.89Å; D86-L88 VanDerWaalsContact C-N 3.31Å; L88-A91 PolarHBondContact O-N 2.9Å; L88-E92 HydrophobicContact CD2-CG 4.18Å; L88-E92 WeakPolarHBondContact CD2-OE1 3.32Å; L88-E92 WeakPolarHBondContact O-CB 3.42Å; L88-E92 WeakPolarHBondContact O-CG 3.37Å; L88-E92 PolarHBondContact O-N 3.21Å; L88-A103 HydrophobicContact CB-CB 4.3Å; L88-M104 HydrophobicContact CD1-CE 4.06Å; L88-M104 HydrophobicContact CD1-CG 3.64Å; L88-M104 HydrophobicContact CD2-CE 4.35Å; L88-M104 HydrophobicContact CG-CE 4.33Å; L88-M104 HydrophobicContact CG-CG 4.48Å |
| 89 | E | 86.5 | Confident | 84.1 | Confident | 96 Ų | 96 | 80.6 Ų | 80.6 | 45% | 0.449 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 174.5 | -78 | -160.8 | -166.8 | 0 | 0 | 112.6 | D85 D86 E92 K93 | D85-E89 PolarHBondContact O-N 2.86Å; D86-E89 PolarHBondContact O-N 3.03Å; E89-E92 PolarHBondContact O-N 3.4Å; E89-K93 WeakPolarHBondContact O-CB 3.46Å; E89-K93 WeakPolarHBondContact O-CD 3.43Å; E89-K93 VanDerWaalsContact O-CG 3.25Å; E89-K93 WeakPolarHBondContact O-CG 3.25Å; E89-K93 PolarHBondContact O-N 3.14Å; E89-K93 IonicContact OE2-NZ 2.78Å; E89-K93 PolarHBondContact OE2-NZ 2.96Å |
| 90 | D | 85.5 | Confident | 84 | Confident | 86 Ų | 86 | 77.9 Ų | 77.9 | 46% | 0.46 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 175.5 | -171 | 50.2 | 0 | 0 | 0 | 110.9 | D86 V87 E92 K93 N94 | D86-D90 WeakPolarHBondContact O-CB 3.37Å; D86-D90 PolarHBondContact O-N 3.35Å; V87-D90 PolarHBondContact O-N 2.99Å; D90-E92 VanDerWaalsContact C-N 3.34Å; D90-E92 PolarHBondContact O-N 3.31Å; D90-K93 PolarHBondContact O-N 3.4Å; D90-N94 WeakPolarHBondContact O-CB 3.01Å; D90-N94 PolarHBondContact O-N 3.42Å; D90-N94 PolarHBondContact OD1-ND2 2.96Å |
| 91 | A | 82.9 | Confident | 83.8 | Confident | 3 Ų | 3 | 77 Ų | 77 | 3% | 0.025 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V87 L88 L95 I100 | V87-A91 VanDerWaalsContact O-CB 3.29Å; V87-A91 WeakPolarHBondContact O-CB 3.49Å; V87-A91 PolarHBondContact O-N 3.34Å; L88-A91 PolarHBondContact O-N 2.9Å; A91-L95 HydrophobicContact CB-CD1 4.22Å; A91-L95 CarbonylContact O-C 3.55Å; A91-L95 WeakPolarHBondContact O-CA 2.88Å; A91-L95 WeakPolarHBondContact O-CB 3.41Å; A91-L95 PolarHBondContact O-N 3.02Å; A91-I100 HydrophobicContact CB-CG1 4.14Å; A91-I100 WeakPolarHBondContact O-CG1 3.36Å |
| 92 | E | 82.3 | Confident | 83.8 | Confident | 98 Ų | 98 | 79 Ų | 79 | 46% | 0.458 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.8 | -30.5 | 176.7 | -75.9 | -174.9 | 168.1 | 0 | 0 | 113.1 | L88 E89 D90 I100 M104 | L88-E92 HydrophobicContact CD2-CG 4.18Å; L88-E92 WeakPolarHBondContact CD2-OE1 3.32Å; L88-E92 WeakPolarHBondContact O-CB 3.42Å; L88-E92 WeakPolarHBondContact O-CG 3.37Å; L88-E92 PolarHBondContact O-N 3.21Å; E89-E92 PolarHBondContact O-N 3.4Å; D90-E92 VanDerWaalsContact C-N 3.34Å; D90-E92 PolarHBondContact O-N 3.31Å; E92-I100 HydrophobicContact CG-CD1 4.13Å; E92-I100 HydrophobicContact CG-CG1 4.08Å; E92-I100 HydrophobicContact CG-CG2 4.16Å; E92-M104 WeakPolarHBondContact OE1-CE 3.38Å |
| 93 | K | 84.3 | Confident | 83.6 | Confident | 146 Ų | 146 | 74 Ų | 74 | 64% | 0.635 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -86.1 | -36.5 | 180 | -70.5 | 167.6 | -166.9 | 158 | 0 | 112.8 | E89 D90 | E89-K93 WeakPolarHBondContact O-CB 3.46Å; E89-K93 WeakPolarHBondContact O-CD 3.43Å; E89-K93 VanDerWaalsContact O-CG 3.25Å; E89-K93 WeakPolarHBondContact O-CG 3.25Å; E89-K93 PolarHBondContact O-N 3.14Å; E89-K93 IonicContact OE2-NZ 2.78Å; E89-K93 PolarHBondContact OE2-NZ 2.96Å; D90-K93 PolarHBondContact O-N 3.4Å |
| 94 | N | 78.3 | Confident | 83.4 | Confident | 115 Ų | 115 | 67.8 Ų | 67.8 | 62% | 0.615 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -117 | -19.4 | -165.5 | -66.9 | -31.2 | 0 | 0 | 0 | 115.1 | D90 | D90-N94 WeakPolarHBondContact O-CB 3.01Å; D90-N94 PolarHBondContact O-N 3.42Å; D90-N94 PolarHBondContact OD1-ND2 2.96Å |
| 95 | L | 77.9 | Confident | 83.3 | Confident | 91 Ų | 91 | 68.2 Ų | 68.2 | 48% | 0.476 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -122.2 | 179.3 | -169.2 | -58.8 | 171.3 | 0 | 0 | 0 | 112.8 | A91 E99 | A91-L95 HydrophobicContact CB-CD1 4.22Å; A91-L95 CarbonylContact O-C 3.55Å; A91-L95 WeakPolarHBondContact O-CA 2.88Å; A91-L95 WeakPolarHBondContact O-CB 3.41Å; A91-L95 PolarHBondContact O-N 3.02Å; L95-E99 HydrophobicContact CB-CB 3.73Å; L95-E99 HydrophobicContact CB-CG 4.06Å; L95-E99 HydrophobicContact CD1-CB 3.75Å; L95-E99 HydrophobicContact CD1-CG 3.94Å; L95-E99 HydrophobicContact CG-CB 4.33Å; L95-E99 HydrophobicContact CG-CG 4.42Å |
| 96 | G | 81.4 | Confident | 83.3 | Confident | 36 Ų | 36 | 67.8 Ų | 67.8 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | trans | -89.6 | 179.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S98 E99 I100 | G96-S98 PolarHBondContact O-N 3.42Å; G96-E99 WeakPolarHBondContact CA-OE2 3.42Å; G96-E99 PolarHBondContact N-OE2 2.92Å; G96-E99 VanDerWaalsContact N-OE2 3.11Å; G96-E99 PolarHBondContact O-N 3.37Å; G96-I100 WeakPolarHBondContact O-CG1 3.38Å; G96-I100 PolarHBondContact O-N 3.17Å | ||
| 97 | E | 76.4 | Confident | 83.2 | Confident | 163 Ų | 163 | 66.7 Ų | 66.7 | 76% | 0.762 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.8 | -25.3 | 179.7 | -68.8 | -175.6 | 161.6 | 0 | 0 | 113.6 | R101 | E97-R101 WeakPolarHBondContact O-CB 3.25Å; E97-R101 PolarHBondContact O-N 2.96Å; E97-R101 VanDerWaalsContact O-N 3.12Å |
| 98 | S | 79.1 | Confident | 83.2 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 39% | 0.392 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.7 | -45.1 | 179.2 | -167.5 | 0 | 0 | 0 | 0 | 111.7 | G96 R101 D102 | G96-S98 PolarHBondContact O-N 3.42Å; S98-R101 WeakPolarHBondContact O-CB 3.44Å; S98-R101 PolarHBondContact O-N 3.28Å; S98-R101 PolarHBondContact OG-NH2 3Å; S98-D102 PolarHBondContact O-N 3.07Å |
| 99 | E | 81.6 | Confident | 83.1 | Confident | 84 Ų | 84 | 64.8 Ų | 64.8 | 39% | 0.393 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.3 | -35.4 | -179.6 | -63.6 | 82 | -175.7 | 0 | 0 | 111.5 | L95 G96 R101 D102 A103 | L95-E99 HydrophobicContact CB-CB 3.73Å; L95-E99 HydrophobicContact CB-CG 4.06Å; L95-E99 HydrophobicContact CD1-CB 3.75Å; L95-E99 HydrophobicContact CD1-CG 3.94Å; L95-E99 HydrophobicContact CG-CB 4.33Å; L95-E99 HydrophobicContact CG-CG 4.42Å; G96-E99 WeakPolarHBondContact CA-OE2 3.42Å; G96-E99 PolarHBondContact N-OE2 2.92Å; G96-E99 VanDerWaalsContact N-OE2 3.11Å; G96-E99 PolarHBondContact O-N 3.37Å; E99-R101 VanDerWaalsContact C-N 3.3Å; E99-R101 PolarHBondContact O-N 3.4Å; E99-D102 PolarHBondContact O-N 2.94Å; E99-A103 WeakPolarHBondContact O-CB 3.38Å; E99-A103 PolarHBondContact O-N 3.43Å |
| 100 | I | 84.2 | Confident | 83.1 | Confident | 25 Ų | 25 | 61 Ų | 61 | 13% | 0.128 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 171.8 | -64.5 | 167.3 | 0 | 0 | 0 | 110.3 | A91 E92 G96 M104 | A91-I100 HydrophobicContact CB-CG1 4.14Å; A91-I100 WeakPolarHBondContact O-CG1 3.36Å; E92-I100 HydrophobicContact CG-CD1 4.13Å; E92-I100 HydrophobicContact CG-CG1 4.08Å; E92-I100 HydrophobicContact CG-CG2 4.16Å; G96-I100 WeakPolarHBondContact O-CG1 3.38Å; G96-I100 PolarHBondContact O-N 3.17Å; I100-M104 HydrophobicContact CG2-CE 3.55Å; I100-M104 HydrophobicContact CG2-SD 4.09Å; I100-M104 WeakPolarHBondContact O-CB 3.29Å; I100-M104 VanDerWaalsContact O-CG 3.23Å; I100-M104 WeakPolarHBondContact O-CG 3.19Å; I100-M104 PolarHBondContact O-N 3.39Å |
| 101 | R | 82.4 | Confident | 83 | Confident | 43 Ų | 43 | 57.4 Ų | 57.4 | 16% | 0.162 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 176.6 | 179.3 | -155.6 | 65.5 | -147.8 | -2.1 | 111.3 | E97 S98 E99 A103 M104 M105 T127 | E97-R101 WeakPolarHBondContact O-CB 3.25Å; E97-R101 PolarHBondContact O-N 2.96Å; E97-R101 VanDerWaalsContact O-N 3.12Å; S98-R101 WeakPolarHBondContact O-CB 3.44Å; S98-R101 PolarHBondContact O-N 3.28Å; S98-R101 PolarHBondContact OG-NH2 3Å; E99-R101 VanDerWaalsContact C-N 3.3Å; E99-R101 PolarHBondContact O-N 3.4Å; R101-A103 VanDerWaalsContact C-N 3.33Å; R101-A103 PolarHBondContact O-N 3.31Å; R101-M104 CarbonylContact O-C 3.58Å; R101-M104 PolarHBondContact O-N 2.82Å; R101-M105 WeakPolarHBondContact O-CB 3.41Å; R101-M105 PolarHBondContact O-N 3.43Å; R101-T127 HydrophobicContact CG-CG2 4.24Å |
| 102 | D | 83.9 | Confident | 82.9 | Confident | 82 Ų | 82 | 57.6 Ų | 57.6 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | -177 | -66 | -17.3 | 0 | 0 | 0 | 111.3 | S98 E99 M105 A106 | S98-D102 PolarHBondContact O-N 3.07Å; E99-D102 PolarHBondContact O-N 2.94Å; D102-M105 PolarHBondContact O-N 2.88Å; D102-A106 WeakPolarHBondContact O-CB 3.4Å; D102-A106 PolarHBondContact O-N 3.39Å |
| 103 | A | 85.9 | Confident | 82.9 | Confident | 9 Ų | 9 | 57.1 Ų | 57.1 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V87 L88 E99 R101 M105 A106 R107 | V87-A103 HydrophobicContact CG1-CB 4.26Å; L88-A103 HydrophobicContact CB-CB 4.3Å; E99-A103 WeakPolarHBondContact O-CB 3.38Å; E99-A103 PolarHBondContact O-N 3.43Å; R101-A103 VanDerWaalsContact C-N 3.33Å; R101-A103 PolarHBondContact O-N 3.31Å; A103-M105 VanDerWaalsContact C-N 3.32Å; A103-M105 PolarHBondContact O-N 3.39Å; A103-A106 PolarHBondContact O-N 2.94Å; A103-R107 WeakPolarHBondContact O-CB 3.46Å; A103-R107 PolarHBondContact O-N 3.49Å |
| 104 | M | 86 | Confident | 82.6 | Confident | 24 Ų | 24 | 50.4 Ų | 50.4 | 12% | 0.118 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.6 | -35.7 | 175.6 | -73.8 | -176.9 | -176.3 | 0 | 0 | 112.8 | L88 E92 I100 R101 A108 T127 K130 | L88-M104 HydrophobicContact CD1-CE 4.06Å; L88-M104 HydrophobicContact CD1-CG 3.64Å; L88-M104 HydrophobicContact CD2-CE 4.35Å; L88-M104 HydrophobicContact CG-CE 4.33Å; L88-M104 HydrophobicContact CG-CG 4.48Å; E92-M104 WeakPolarHBondContact OE1-CE 3.38Å; I100-M104 HydrophobicContact CG2-CE 3.55Å; I100-M104 HydrophobicContact CG2-SD 4.09Å; I100-M104 WeakPolarHBondContact O-CB 3.29Å; I100-M104 VanDerWaalsContact O-CG 3.23Å; I100-M104 WeakPolarHBondContact O-CG 3.19Å; I100-M104 PolarHBondContact O-N 3.39Å; R101-M104 CarbonylContact O-C 3.58Å; R101-M104 PolarHBondContact O-N 2.82Å; M104-A108 WeakPolarHBondContact O-CB 3.45Å; M104-A108 PolarHBondContact O-N 3.5Å; M104-T127 HydrophobicContact CB-CG2 4.28Å; M104-K130 HydrophobicContact CE-CD 4.25Å; M104-K130 HydrophobicContact SD-CD 3.67Å |
| 105 | M | 85.6 | Confident | 82.5 | Confident | 33 Ų | 33 | 45.4 Ų | 45.4 | 16% | 0.163 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.1 | -49.4 | 176.3 | -171.7 | 65.5 | 179.8 | 0 | 0 | 111 | R101 D102 A103 R107 A108 E109 F124 T127 I140 Y143 | R101-M105 WeakPolarHBondContact O-CB 3.41Å; R101-M105 PolarHBondContact O-N 3.43Å; D102-M105 PolarHBondContact O-N 2.88Å; A103-M105 VanDerWaalsContact C-N 3.32Å; A103-M105 PolarHBondContact O-N 3.39Å; M105-R107 VanDerWaalsContact C-N 3.27Å; M105-R107 PolarHBondContact O-N 3.21Å; M105-A108 PolarHBondContact O-N 3.28Å; M105-E109 HydrophobicContact CE-CG 4.21Å; M105-E109 WeakPolarHBondContact CE-OE1 3.2Å; M105-E109 WeakPolarHBondContact O-CG 3.24Å; M105-E109 PolarHBondContact O-N 3.38Å; M105-F124 HydrophobicContact CE-CE1 4.31Å; M105-F124 HydrophobicContact SD-CE1 4.12Å; M105-T127 HydrophobicContact CB-CG2 4.43Å; M105-T127 HydrophobicContact SD-CG2 4.42Å; M105-I140 HydrophobicContact CE-CG1 4.29Å; M105-I140 HydrophobicContact SD-CG1 3.98Å; M105-Y143 HydrophobicContact CE-CD2 3.52Å; M105-Y143 HydrophobicContact CE-CE2 3.18Å |
| 106 | A | 85.9 | Confident | 82.7 | Confident | 41 Ų | 41 | 43 Ų | 43 | 34% | 0.339 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L84 D102 A103 Y110 | L84-A106 HydrophobicContact CD2-CB 4.28Å; D102-A106 WeakPolarHBondContact O-CB 3.4Å; D102-A106 PolarHBondContact O-N 3.39Å; A103-A106 PolarHBondContact O-N 2.94Å; A106-Y110 WeakPolarHBondContact O-CB 3.37Å; A106-Y110 PolarHBondContact O-N 3.1Å |
| 107 | R | 86.4 | Confident | 82.7 | Confident | 81 Ų | 81 | 43.6 Ų | 43.6 | 31% | 0.306 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.3 | -46.6 | 172.7 | -176.7 | -177.4 | 174.6 | 168.6 | 14 | 112.1 | D85 A103 M105 Y110 L111 | D85-R107 IonicContact OD1-CZ 2.69Å; D85-R107 IonicContact OD1-NE 3.48Å; D85-R107 PolarHBondContact OD1-NE 3.28Å; D85-R107 IonicContact OD1-NH1 3.12Å; D85-R107 PolarHBondContact OD1-NH1 3.24Å; D85-R107 IonicContact OD1-NH2 2.91Å; D85-R107 PolarHBondContact OD1-NH2 3.32Å; D85-R107 VanDerWaalsContact OD1-NH2 3.17Å; D85-R107 IonicContact OD2-NH2 3.26Å; A103-R107 WeakPolarHBondContact O-CB 3.46Å; A103-R107 PolarHBondContact O-N 3.49Å; M105-R107 VanDerWaalsContact C-N 3.27Å; M105-R107 PolarHBondContact O-N 3.21Å; R107-Y110 PolarHBondContact O-N 3.29Å; R107-L111 HydrophobicContact CG-CD1 4.38Å; R107-L111 WeakPolarHBondContact O-CG 3.39Å; R107-L111 PolarHBondContact O-N 3.33Å |
| 108 | A | 85.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.1 | -41 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | M104 M105 Y110 L111 I112 A123 F124 | M104-A108 WeakPolarHBondContact O-CB 3.45Å; M104-A108 PolarHBondContact O-N 3.5Å; M105-A108 PolarHBondContact O-N 3.28Å; A108-Y110 VanDerWaalsContact C-N 3.34Å; A108-Y110 PolarHBondContact O-N 2.83Å; A108-L111 PolarHBondContact O-N 3.2Å; A108-I112 PolarHBondContact O-N 3.32Å; A108-A123 HydrophobicContact CB-CB 3.89Å; A108-F124 HydrophobicContact CB-CD1 3.85Å; A108-F124 HydrophobicContact CB-CD2 4.25Å; A108-F124 HydrophobicContact CB-CE1 3.49Å; A108-F124 VanDerWaalsContact CB-CE1 3.49Å; A108-F124 HydrophobicContact CB-CE2 3.83Å; A108-F124 HydrophobicContact CB-CG 4.21Å; A108-F124 HydrophobicContact CB-CZ 3.45Å; A108-F124 VanDerWaalsContact CB-CZ 3.45Å |
| 109 | E | 83.6 | Confident | 83.4 | Confident | 49 Ų | 49 | 42.8 Ų | 42.8 | 23% | 0.229 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 173.9 | -71.3 | -175.6 | 169.6 | 0 | 0 | 111.9 | M105 I112 R113 Y143 | M105-E109 HydrophobicContact CE-CG 4.21Å; M105-E109 WeakPolarHBondContact CE-OE1 3.2Å; M105-E109 WeakPolarHBondContact O-CG 3.24Å; M105-E109 PolarHBondContact O-N 3.38Å; E109-I112 WeakPolarHBondContact O-CB 3.41Å; E109-I112 PolarHBondContact O-N 3.01Å; E109-R113 PolarHBondContact O-N 2.82Å; E109-Y143 HydrophobicContact CG-CE1 4.28Å; E109-Y143 VanDerWaalsContact OE1-CZ 3.26Å; E109-Y143 PolarHBondContact OE1-OH 3.26Å |
| 110 | Y | 84.6 | Confident | 83.6 | Confident | 16 Ų | 16 | 38.8 Ų | 38.8 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 174.4 | -170.3 | -91.9 | 0 | 0 | 0 | 111.9 | N77 E80 L81 L84 A106 R107 A108 I112 R113 I114 | N77-Y110 WeakPolarHBondContact CA-OH 3.35Å; N77-Y110 PolarHBondContact OD1-OH 3.35Å; E80-Y110 HydrophobicContact CB-CE1 4.42Å; E80-Y110 HydrophobicContact CB-CE2 3.96Å; E80-Y110 WeakPolarHBondContact CB-OH 3.42Å; E80-Y110 HydrophobicContact CG-CD2 4.05Å; E80-Y110 HydrophobicContact CG-CE2 3.46Å; E80-Y110 VanDerWaalsContact CG-CE2 3.46Å; L81-Y110 HydrophobicContact CD2-CD1 3.9Å; L81-Y110 HydrophobicContact CD2-CE1 4.24Å; L81-Y110 HydrophobicContact CG-CD1 4.2Å; L81-Y110 HydrophobicContact CG-CE1 4.01Å; L84-Y110 HydrophobicContact CD1-CD1 4.19Å; L84-Y110 HydrophobicContact CD1-CD2 4.15Å; L84-Y110 HydrophobicContact CD1-CG 3.77Å; A106-Y110 WeakPolarHBondContact O-CB 3.37Å; A106-Y110 PolarHBondContact O-N 3.1Å; R107-Y110 PolarHBondContact O-N 3.29Å; A108-Y110 VanDerWaalsContact C-N 3.34Å; A108-Y110 PolarHBondContact O-N 2.83Å; Y110-I112 VanDerWaalsContact C-N 3.31Å; Y110-I112 PolarHBondContact O-N 3.24Å; Y110-R113 WeakPolarHBondContact O-CB 3.38Å; Y110-R113 PolarHBondContact O-N 3.08Å; Y110-R113 VanDerWaalsContact O-N 3.08Å; Y110-I114 HydrophobicContact CD1-CG2 4.12Å; Y110-I114 HydrophobicContact CE1-CG2 3.64Å; Y110-I114 PolarHBondContact O-N 3.37Å |
| 111 | L | 83.5 | Confident | 83.8 | Confident | 11 Ų | 11 | 38.2 Ų | 38.2 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.9 | -34.7 | 176.9 | -71.6 | 172.8 | 0 | 0 | 0 | 112.9 | L81 R107 A108 I114 G115 N116 D119 A120 A123 | L81-L111 HydrophobicContact CD2-CD2 3.93Å; L81-L111 HydrophobicContact CD2-CG 4.5Å; R107-L111 HydrophobicContact CG-CD1 4.38Å; R107-L111 WeakPolarHBondContact O-CG 3.39Å; R107-L111 PolarHBondContact O-N 3.33Å; A108-L111 PolarHBondContact O-N 3.2Å; L111-I114 HydrophobicContact CD2-CD1 3.81Å; L111-I114 WeakPolarHBondContact O-CG1 3.48Å; L111-G115 PolarHBondContact O-N 3.25Å; L111-N116 PolarHBondContact O-N 2.99Å; L111-N116 VanDerWaalsContact O-N 3.14Å; L111-D119 HydrophobicContact CD1-CB 4.35Å; L111-D119 HydrophobicContact CD2-CB 4.48Å; L111-A120 HydrophobicContact CB-CB 4.01Å; L111-A123 HydrophobicContact CD1-CB 3.94Å |
| 112 | I | 81.9 | Confident | 84.1 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.036 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.4 | -48.3 | 169.5 | -69.6 | -176.1 | 0 | 0 | 0 | 110.5 | N14 P15 A108 E109 Y110 I114 G115 A120 F124 Y143 I147 | N14-I112 HydrophobicContact CB-CG2 4.37Å; P15-I112 HydrophobicContact CB-CG2 3.56Å; P15-I112 HydrophobicContact CG-CG2 3.55Å; P15-I112 VanDerWaalsContact N-CG2 3.31Å; A108-I112 PolarHBondContact O-N 3.32Å; E109-I112 WeakPolarHBondContact O-CB 3.41Å; E109-I112 PolarHBondContact O-N 3.01Å; Y110-I112 VanDerWaalsContact C-N 3.31Å; Y110-I112 PolarHBondContact O-N 3.24Å; I112-I114 PolarHBondContact O-N 3.03Å; I112-G115 WeakPolarHBondContact O-CA 3.1Å; I112-G115 PolarHBondContact O-N 2.96Å; I112-A120 HydrophobicContact CG1-CB 4.14Å; I112-F124 HydrophobicContact CD1-CD2 4.37Å; I112-F124 HydrophobicContact CD1-CE1 4.42Å; I112-F124 HydrophobicContact CD1-CE2 3.23Å; I112-F124 HydrophobicContact CD1-CZ 3.24Å; I112-F124 HydrophobicContact CG1-CE2 3.41Å; I112-F124 VanDerWaalsContact CG1-CE2 3.41Å; I112-F124 HydrophobicContact CG1-CZ 3.76Å; I112-Y143 HydrophobicContact CD1-CD1 3.59Å; I112-Y143 HydrophobicContact CD1-CE1 4.46Å; I112-Y143 HydrophobicContact CD1-CG 4.16Å; I112-I147 HydrophobicContact CD1-CD1 3.69Å; I112-I147 HydrophobicContact CD1-CG1 3.98Å; I112-I147 HydrophobicContact CG1-CD1 3.77Å; I112-I147 HydrophobicContact CG1-CG1 4.19Å |
| 113 | R | 81.1 | Confident | 84.3 | Confident | 88 Ų | 88 | 36 Ų | 36 | 33% | 0.332 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.3 | -36.6 | -174.6 | -173.9 | 172.2 | 64.3 | -175 | 0.1 | 111.6 | N48 M50 E109 Y110 G115 | N48-R113 HydrophobicContact CB-CG 3.94Å; M50-R113 WeakPolarHBondContact CE-O 3.36Å; M50-R113 VanDerWaalsContact CG-O 3.31Å; M50-R113 WeakPolarHBondContact CG-O 3.36Å; E109-R113 PolarHBondContact O-N 2.82Å; Y110-R113 WeakPolarHBondContact O-CB 3.38Å; Y110-R113 PolarHBondContact O-N 3.08Å; Y110-R113 VanDerWaalsContact O-N 3.08Å; R113-G115 VanDerWaalsContact C-N 3.25Å; R113-G115 PolarHBondContact O-N 3.4Å |
| 114 | I | 79.4 | Confident | 84.4 | Confident | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -15.2 | 174.1 | 65.4 | 173.9 | 0 | 0 | 0 | 113.3 | M50 P52 N77 Y110 L111 I112 N116 | M50-I114 WeakPolarHBondContact CA-O 3.42Å; P52-I114 WeakPolarHBondContact CD-O 3.4Å; N77-I114 WeakPolarHBondContact ND2-CG2 3.4Å; Y110-I114 HydrophobicContact CD1-CG2 4.12Å; Y110-I114 HydrophobicContact CE1-CG2 3.64Å; Y110-I114 PolarHBondContact O-N 3.37Å; L111-I114 HydrophobicContact CD2-CD1 3.81Å; L111-I114 WeakPolarHBondContact O-CG1 3.48Å; I112-I114 PolarHBondContact O-N 3.03Å; I114-N116 HydrophobicContact CD1-CB 3.98Å; I114-N116 HydrophobicContact CG1-CB 4.08Å |
| 115 | G | 75.9 | Confident | 84.5 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 23.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L111 I112 R113 K117 Y151 | L111-G115 PolarHBondContact O-N 3.25Å; I112-G115 WeakPolarHBondContact O-CA 3.1Å; I112-G115 PolarHBondContact O-N 2.96Å; R113-G115 VanDerWaalsContact C-N 3.25Å; R113-G115 PolarHBondContact O-N 3.4Å; G115-K117 PolarHBondContact O-N 2.72Å; G115-Y151 PolarHBondContact O-OH 3.34Å |
| 116 | N | 80.9 | Confident | 84.6 | Confident | 41 Ų | 41 | 45.8 Ų | 45.8 | 22% | 0.219 | 22% | 0.219 | C | C | . | . | trans | -87.5 | 97.6 | 177.1 | -170.7 | -11.7 | 0 | 0 | 0 | 111.1 | P52 L111 I114 D119 A120 | P52-N116 HydrophobicContact CG-CB 4.33Å; L111-N116 PolarHBondContact O-N 2.99Å; L111-N116 VanDerWaalsContact O-N 3.14Å; I114-N116 HydrophobicContact CD1-CB 3.98Å; I114-N116 HydrophobicContact CG1-CB 4.08Å; N116-D119 PolarHBondContact ND2-OD2 3.02Å; N116-A120 WeakPolarHBondContact O-CB 3.45Å; N116-A120 PolarHBondContact O-N 3.37Å | ||
| 117 | K | 81.6 | Confident | 84.7 | Confident | 48 Ų | 48 | 44 Ų | 44 | 21% | 0.209 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.1 | -54.3 | -172.6 | -175.2 | -176.5 | 176.5 | -176.5 | 0 | 113.1 | G115 L121 I147 Y151 D153 | G115-K117 PolarHBondContact O-N 2.72Å; K117-L121 HydrophobicContact CG-CD1 4.08Å; K117-L121 VanDerWaalsContact O-CG 3.26Å; K117-L121 WeakPolarHBondContact O-CG 3.31Å; K117-L121 PolarHBondContact O-N 2.99Å; K117-I147 HydrophobicContact CG-CG2 4.31Å; K117-Y151 HydrophobicContact CB-CE2 3.89Å; K117-Y151 HydrophobicContact CD-CD2 3.91Å; K117-Y151 HydrophobicContact CD-CE2 4.15Å; K117-Y151 HydrophobicContact CD-CG 4.14Å; K117-Y151 HydrophobicContact CG-CD2 4.13Å; K117-Y151 HydrophobicContact CG-CE2 3.99Å; K117-D153 IonicContact NZ-OD2 3.55Å; K117-D153 PolarHBondContact NZ-OD2 3.08Å |
| 118 | E | 85.8 | Confident | 84.7 | Confident | 120 Ų | 120 | 42.4 Ų | 42.4 | 56% | 0.561 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -69.2 | -46.9 | -169.3 | -63.7 | -56.9 | 139 | 0 | 0 | 111.7 | A120 L121 T122 | E118-A120 VanDerWaalsContact C-N 3.34Å; E118-A120 PolarHBondContact O-N 2.88Å; E118-L121 PolarHBondContact O-N 2.63Å; E118-T122 WeakPolarHBondContact O-CG2 3.5Å; E118-T122 PolarHBondContact O-N 3.4Å; E118-T122 VanDerWaalsContact O-N 3.08Å |
| 119 | D | 85.3 | Confident | 84.8 | Confident | 81 Ų | 81 | 48.5 Ų | 48.5 | 43% | 0.433 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.7 | -39.4 | 179.8 | -67 | -25.2 | 0 | 0 | 0 | 111.2 | L111 N116 L121 T122 A123 | L111-D119 HydrophobicContact CD1-CB 4.35Å; L111-D119 HydrophobicContact CD2-CB 4.48Å; N116-D119 PolarHBondContact ND2-OD2 3.02Å; D119-L121 PolarHBondContact O-N 3.32Å; D119-T122 PolarHBondContact O-N 3.4Å; D119-T122 PolarHBondContact O-OG1 3.39Å; D119-A123 WeakPolarHBondContact O-CB 3.38Å; D119-A123 PolarHBondContact O-N 3.46Å |
| 120 | A | 85.9 | Confident | 84.9 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -46.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L111 I112 N116 E118 T122 A123 F124 I147 | L111-A120 HydrophobicContact CB-CB 4.01Å; I112-A120 HydrophobicContact CG1-CB 4.14Å; N116-A120 WeakPolarHBondContact O-CB 3.45Å; N116-A120 PolarHBondContact O-N 3.37Å; E118-A120 VanDerWaalsContact C-N 3.34Å; E118-A120 PolarHBondContact O-N 2.88Å; A120-T122 VanDerWaalsContact C-N 3.3Å; A120-T122 PolarHBondContact O-N 2.82Å; A120-A123 PolarHBondContact O-N 3.09Å; A120-F124 HydrophobicContact CB-CD2 4.48Å; A120-F124 HydrophobicContact CB-CE2 4.25Å; A120-F124 WeakPolarHBondContact O-CD2 3.36Å; A120-F124 PolarHBondContact O-N 3.4Å; A120-I147 HydrophobicContact CB-CD1 4.45Å |
| 121 | L | 87.3 | Confident | 84.8 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -39.1 | 178.7 | -73.1 | 175.4 | 0 | 0 | 0 | 112.3 | K117 E118 D119 R125 L144 L156 | K117-L121 HydrophobicContact CG-CD1 4.08Å; K117-L121 VanDerWaalsContact O-CG 3.26Å; K117-L121 WeakPolarHBondContact O-CG 3.31Å; K117-L121 PolarHBondContact O-N 2.99Å; E118-L121 PolarHBondContact O-N 2.63Å; D119-L121 PolarHBondContact O-N 3.32Å; L121-R125 VanDerWaalsContact O-CG 3.27Å; L121-R125 WeakPolarHBondContact O-CG 3.29Å; L121-R125 PolarHBondContact O-N 2.9Å; L121-L144 HydrophobicContact CD2-CD2 3.53Å; L121-L156 HydrophobicContact CD1-CD2 4.46Å; L121-L156 HydrophobicContact CD2-CD1 4.32Å; L121-L156 HydrophobicContact CD2-CD2 4Å |
| 122 | T | 88.9 | Confident | 84.7 | Confident | 66 Ų | 66 | 55.4 Ų | 55.4 | 41% | 0.405 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.9 | -39.7 | 176.1 | 67.4 | 0 | 0 | 0 | 0 | 112.1 | E118 D119 A120 R125 K126 | E118-T122 WeakPolarHBondContact O-CG2 3.5Å; E118-T122 PolarHBondContact O-N 3.4Å; E118-T122 VanDerWaalsContact O-N 3.08Å; D119-T122 PolarHBondContact O-N 3.4Å; D119-T122 PolarHBondContact O-OG1 3.39Å; A120-T122 VanDerWaalsContact C-N 3.3Å; A120-T122 PolarHBondContact O-N 2.82Å; T122-R125 PolarHBondContact O-N 3.09Å; T122-K126 WeakPolarHBondContact O-CG 3.31Å; T122-K126 PolarHBondContact O-N 3.01Å; T122-K126 VanDerWaalsContact O-N 3.12Å |
| 123 | A | 87.8 | Confident | 84.8 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -49.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A108 L111 D119 A120 R125 K126 T127 | A108-A123 HydrophobicContact CB-CB 3.89Å; L111-A123 HydrophobicContact CD1-CB 3.94Å; D119-A123 WeakPolarHBondContact O-CB 3.38Å; D119-A123 PolarHBondContact O-N 3.46Å; A120-A123 PolarHBondContact O-N 3.09Å; A123-R125 VanDerWaalsContact C-N 3.31Å; A123-R125 PolarHBondContact O-N 3.14Å; A123-K126 PolarHBondContact O-N 2.67Å; A123-T127 PolarHBondContact O-N 3.45Å; A123-T127 PolarHBondContact O-OG1 3.41Å |
| 124 | F | 88.4 | Confident | 85 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63 | -34.6 | 178 | -75.9 | -65.1 | 0 | 0 | 0 | 113.7 | M105 A108 I112 A120 T127 F128 I140 Y143 L144 I147 | M105-F124 HydrophobicContact CE-CE1 4.31Å; M105-F124 HydrophobicContact SD-CE1 4.12Å; A108-F124 HydrophobicContact CB-CD1 3.85Å; A108-F124 HydrophobicContact CB-CD2 4.25Å; A108-F124 HydrophobicContact CB-CE1 3.49Å; A108-F124 VanDerWaalsContact CB-CE1 3.49Å; A108-F124 HydrophobicContact CB-CE2 3.83Å; A108-F124 HydrophobicContact CB-CG 4.21Å; A108-F124 HydrophobicContact CB-CZ 3.45Å; A108-F124 VanDerWaalsContact CB-CZ 3.45Å; I112-F124 HydrophobicContact CD1-CD2 4.37Å; I112-F124 HydrophobicContact CD1-CE1 4.42Å; I112-F124 HydrophobicContact CD1-CE2 3.23Å; I112-F124 HydrophobicContact CD1-CZ 3.24Å; I112-F124 HydrophobicContact CG1-CE2 3.41Å; I112-F124 VanDerWaalsContact CG1-CE2 3.41Å; I112-F124 HydrophobicContact CG1-CZ 3.76Å; A120-F124 HydrophobicContact CB-CD2 4.48Å; A120-F124 HydrophobicContact CB-CE2 4.25Å; A120-F124 WeakPolarHBondContact O-CD2 3.36Å; A120-F124 PolarHBondContact O-N 3.4Å; F124-T127 PolarHBondContact O-N 3.19Å; F124-F128 VanDerWaalsContact O-CB 3.22Å; F124-F128 WeakPolarHBondContact O-CB 3.39Å; F124-F128 PolarHBondContact O-N 3.26Å; F124-I140 HydrophobicContact CB-CG2 4.05Å; F124-I140 HydrophobicContact CD1-CG2 3.86Å; F124-I140 HydrophobicContact CG-CG2 4.33Å; F124-Y143 HydrophobicContact CE1-CD2 4.27Å; F124-Y143 HydrophobicContact CE1-CG 4.11Å; F124-Y143 HydrophobicContact CZ-CG 4.23Å; F124-L144 HydrophobicContact CB-CD2 3.78Å; F124-L144 HydrophobicContact CB-CG 4.25Å; F124-L144 HydrophobicContact CD2-CD2 4.18Å; F124-L144 HydrophobicContact CG-CD2 4.19Å; F124-I147 HydrophobicContact CD2-CD1 4.26Å; F124-I147 HydrophobicContact CE2-CD1 4.15Å |
| 125 | R | 88.1 | Confident | 85.2 | Confident | 131 Ų | 131 | 55.8 Ų | 55.8 | 49% | 0.494 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 174.7 | -74.3 | 175.3 | -171.3 | -179.2 | 7.8 | 111.1 | L121 T122 A123 T127 F128 D129 | L121-R125 VanDerWaalsContact O-CG 3.27Å; L121-R125 WeakPolarHBondContact O-CG 3.29Å; L121-R125 PolarHBondContact O-N 2.9Å; T122-R125 PolarHBondContact O-N 3.09Å; A123-R125 VanDerWaalsContact C-N 3.31Å; A123-R125 PolarHBondContact O-N 3.14Å; R125-T127 VanDerWaalsContact C-N 3.34Å; R125-T127 PolarHBondContact O-N 3.19Å; R125-F128 WeakPolarHBondContact O-CB 3.34Å; R125-F128 PolarHBondContact O-N 3.25Å; R125-D129 PolarHBondContact O-N 2.9Å; R125-D129 VanDerWaalsContact O-N 3.1Å |
| 126 | K | 88.6 | Confident | 85.6 | Confident | 140 Ų | 140 | 59.3 Ų | 59.3 | 61% | 0.609 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.6 | -43.2 | 176 | -69.6 | 175.8 | -179.2 | 178.8 | 0 | 111.9 | T122 A123 D129 K130 | T122-K126 WeakPolarHBondContact O-CG 3.31Å; T122-K126 PolarHBondContact O-N 3.01Å; T122-K126 VanDerWaalsContact O-N 3.12Å; A123-K126 PolarHBondContact O-N 2.67Å; K126-D129 PolarHBondContact O-N 3.48Å; K126-K130 PolarHBondContact O-N 3.2Å |
| 127 | T | 87.3 | Confident | 85.9 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 177.6 | -49.2 | 0 | 0 | 0 | 0 | 111.4 | R101 M104 M105 A123 F124 R125 K130 T131 I140 | R101-T127 HydrophobicContact CG-CG2 4.24Å; M104-T127 HydrophobicContact CB-CG2 4.28Å; M105-T127 HydrophobicContact CB-CG2 4.43Å; M105-T127 HydrophobicContact SD-CG2 4.42Å; A123-T127 PolarHBondContact O-N 3.45Å; A123-T127 PolarHBondContact O-OG1 3.41Å; F124-T127 PolarHBondContact O-N 3.19Å; R125-T127 VanDerWaalsContact C-N 3.34Å; R125-T127 PolarHBondContact O-N 3.19Å; T127-K130 PolarHBondContact O-N 3.34Å; T127-T131 WeakPolarHBondContact O-CB 3.27Å; T127-T131 PolarHBondContact O-N 2.71Å; T127-T131 PolarHBondContact O-OG1 3.42Å; T127-I140 HydrophobicContact CG2-CD1 3.87Å |
| 128 | F | 87.8 | Confident | 86.1 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.2 | -46 | 177.6 | -175.4 | -89.4 | 0 | 0 | 0 | 111.7 | F124 R125 K130 T131 R137 I140 V141 L167 | F124-F128 VanDerWaalsContact O-CB 3.22Å; F124-F128 WeakPolarHBondContact O-CB 3.39Å; F124-F128 PolarHBondContact O-N 3.26Å; R125-F128 WeakPolarHBondContact O-CB 3.34Å; R125-F128 PolarHBondContact O-N 3.25Å; F128-K130 VanDerWaalsContact C-N 3.29Å; F128-K130 PolarHBondContact O-N 2.85Å; F128-T131 PolarHBondContact O-N 3.09Å; F128-R137 HydrophobicContact CD2-CB 4.28Å; F128-R137 HydrophobicContact CD2-CG 4.32Å; F128-R137 HydrophobicContact CE2-CB 3.76Å; F128-R137 HydrophobicContact CE2-CG 4.02Å; F128-R137 HydrophobicContact CZ-CB 4.43Å; F128-R137 HydrophobicContact CZ-CG 4.42Å; F128-I140 HydrophobicContact CB-CG2 4.22Å; F128-I140 HydrophobicContact CD2-CB 4.47Å; F128-I140 HydrophobicContact CD2-CG2 4.17Å; F128-V141 HydrophobicContact CD2-CG2 4.27Å; F128-V141 HydrophobicContact CE2-CG2 3.78Å; F128-L167 HydrophobicContact CE2-CD1 4.07Å; F128-L167 HydrophobicContact CZ-CD1 4.15Å |
| 129 | D | 87.6 | Confident | 86.1 | Confident | 128 Ų | 128 | 53.9 Ų | 53.9 | 68% | 0.684 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.1 | -34.8 | -179 | -65.3 | -25.2 | 0 | 0 | 0 | 112.3 | R125 K126 | R125-D129 PolarHBondContact O-N 2.9Å; R125-D129 VanDerWaalsContact O-N 3.1Å; K126-D129 PolarHBondContact O-N 3.48Å |
| 130 | K | 84.8 | Confident | 86.2 | Confident | 106 Ų | 106 | 50.1 Ų | 50.1 | 46% | 0.461 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -81.1 | -17.4 | 176.9 | -70.6 | -172.9 | 175.2 | -169.8 | 0 | 114 | M104 K126 T127 F128 | M104-K130 HydrophobicContact CE-CD 4.25Å; M104-K130 HydrophobicContact SD-CD 3.67Å; K126-K130 PolarHBondContact O-N 3.2Å; T127-K130 PolarHBondContact O-N 3.34Å; F128-K130 VanDerWaalsContact C-N 3.29Å; F128-K130 PolarHBondContact O-N 2.85Å |
| 131 | T | 83 | Confident | 86.4 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | trans | -81.7 | 127.7 | -176.3 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | T127 F128 H136 R137 | T127-T131 WeakPolarHBondContact O-CB 3.27Å; T127-T131 PolarHBondContact O-N 2.71Å; T127-T131 PolarHBondContact O-OG1 3.42Å; F128-T131 PolarHBondContact O-N 3.09Å; T131-H136 HydrophobicContact CG2-CB 3.57Å; T131-R137 HydrophobicContact CG2-CG 3.91Å; T131-R137 PolarHBondContact O-NE 2.7Å; T131-R137 PolarHBondContact O-NH2 3.16Å | ||
| 132 | V | 80.8 | Confident | 86.4 | Confident | 114 Ų | 114 | 49.7 Ų | 49.7 | 69% | 0.691 | 25% | 0.253 | S | S | * | . | trans | -95.2 | -39.6 | 178.7 | -177 | 0 | 0 | 0 | 0 | 112.1 | L134 | V132-L134 PolarHBondContact O-N 2.95Š| ||
| 133 | A | 85.2 | Confident | 86.4 | Confident | 45 Ų | 45 | 46.7 Ų | 46.7 | 37% | 0.372 | 23% | 0.234 | S | C | . | . | trans | -70.8 | 130.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G135 H136 R137 | A133-G135 PolarHBondContact O-N 3.13Å; A133-H136 PolarHBondContact O-N 3.01Å; A133-R137 PolarHBondContact O-N 3.41Å; A133-R137 VanDerWaalsContact O-N 3.11Å | ||
| 134 | L | 84.2 | Confident | 86.4 | Confident | 43 Ų | 43 | 46.7 Ų | 46.7 | 23% | 0.225 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | -176.9 | -171.6 | 70.6 | 0 | 0 | 0 | 112.9 | V132 H136 R137 L138 L167 G171 | V132-L134 PolarHBondContact O-N 2.95Å; L134-H136 PolarHBondContact O-N 3.48Å; L134-R137 WeakPolarHBondContact O-CB 3.43Å; L134-R137 PolarHBondContact O-N 3.28Å; L134-L138 PolarHBondContact O-N 3.48Å; L134-L167 HydrophobicContact CD1-CB 4.22Å; L134-L167 HydrophobicContact CD1-CD2 3.76Å; L134-G171 VanDerWaalsContact CD2-C 3.41Å; L134-G171 WeakPolarHBondContact CD2-O 3.4Å |
| 135 | G | 84.3 | Confident | 86.4 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A133 R137 L138 D139 | A133-G135 PolarHBondContact O-N 3.13Å; G135-R137 PolarHBondContact O-N 2.95Å; G135-L138 WeakPolarHBondContact O-CB 3.43Å; G135-L138 PolarHBondContact O-N 2.98Å; G135-D139 PolarHBondContact O-N 3.5Å |
| 136 | H | 84.4 | Confident | 86.3 | Confident | 84 Ų | 84 | 40.7 Ų | 40.7 | 39% | 0.389 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.4 | -33.7 | 177.9 | -61.8 | -42 | 0 | 0 | 0 | 112.8 | T131 A133 L134 L138 D139 I140 | T131-H136 HydrophobicContact CG2-CB 3.57Å; A133-H136 PolarHBondContact O-N 3.01Å; L134-H136 PolarHBondContact O-N 3.48Å; H136-L138 VanDerWaalsContact C-N 3.33Å; H136-D139 PolarHBondContact O-N 3.06Å; H136-I140 WeakPolarHBondContact O-CG1 3.47Å; H136-I140 PolarHBondContact O-N 2.88Å |
| 137 | R | 86.1 | Confident | 86.1 | Confident | 73 Ų | 73 | 34.3 Ų | 34.3 | 28% | 0.275 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 171.4 | -74.1 | -176 | -178.6 | 174.6 | 2.2 | 111.6 | F128 T131 A133 L134 G135 I140 V141 L167 | F128-R137 HydrophobicContact CD2-CB 4.28Å; F128-R137 HydrophobicContact CD2-CG 4.32Å; F128-R137 HydrophobicContact CE2-CB 3.76Å; F128-R137 HydrophobicContact CE2-CG 4.02Å; F128-R137 HydrophobicContact CZ-CB 4.43Å; F128-R137 HydrophobicContact CZ-CG 4.42Å; T131-R137 HydrophobicContact CG2-CG 3.91Å; T131-R137 PolarHBondContact O-NE 2.7Å; T131-R137 PolarHBondContact O-NH2 3.16Å; A133-R137 PolarHBondContact O-N 3.41Å; A133-R137 VanDerWaalsContact O-N 3.11Å; L134-R137 WeakPolarHBondContact O-CB 3.43Å; L134-R137 PolarHBondContact O-N 3.28Å; G135-R137 PolarHBondContact O-N 2.95Å; R137-I140 PolarHBondContact O-N 3.38Å; R137-V141 WeakPolarHBondContact O-CG2 3.38Å; R137-V141 PolarHBondContact O-N 3.16Å; R137-V141 VanDerWaalsContact O-N 3.09Å; R137-L167 HydrophobicContact CB-CD1 4.47Å |
| 138 | L | 86.3 | Confident | 86.1 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 176.2 | -76.5 | 169.9 | 0 | 0 | 0 | 111.5 | L134 G135 H136 I140 V141 F142 L167 I168 R176 | L134-L138 PolarHBondContact O-N 3.48Å; G135-L138 WeakPolarHBondContact O-CB 3.43Å; G135-L138 PolarHBondContact O-N 2.98Å; H136-L138 VanDerWaalsContact C-N 3.33Å; L138-I140 VanDerWaalsContact C-N 3.31Å; L138-I140 PolarHBondContact O-N 3.46Å; L138-V141 PolarHBondContact O-N 2.96Å; L138-F142 HydrophobicContact CB-CE2 4.22Å; L138-F142 VanDerWaalsContact O-CD2 3.25Å; L138-F142 WeakPolarHBondContact O-CD2 3.49Å; L138-F142 WeakPolarHBondContact O-CG 3.31Å; L138-F142 PolarHBondContact O-N 2.99Å; L138-L167 HydrophobicContact CD2-CB 3.55Å; L138-L167 HydrophobicContact CD2-CD1 4.22Å; L138-L167 HydrophobicContact CG-CB 4.16Å; L138-I168 HydrophobicContact CD1-CG1 4.11Å; L138-I168 HydrophobicContact CD2-CD1 4.41Å; L138-I168 HydrophobicContact CD2-CG1 3.69Å; L138-R176 HydrophobicContact CD1-CB 4.45Å |
| 139 | D | 85.5 | Confident | 85.9 | Confident | 20 Ų | 20 | 32.4 Ų | 32.4 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 179.5 | -60 | -22.7 | 0 | 0 | 0 | 111.4 | G135 H136 V141 F142 Y143 R176 | G135-D139 PolarHBondContact O-N 3.5Å; H136-D139 PolarHBondContact O-N 3.06Å; D139-V141 PolarHBondContact O-N 3.46Å; D139-F142 PolarHBondContact O-N 3.45Å; D139-Y143 WeakPolarHBondContact O-CD2 3.49Å; D139-Y143 PolarHBondContact O-N 2.92Å; D139-R176 IonicContact OD1-CZ 3.82Å; D139-R176 IonicContact OD1-NE 3.25Å; D139-R176 PolarHBondContact OD1-NE 3.21Å; D139-R176 IonicContact OD1-NH2 2.88Å; D139-R176 PolarHBondContact OD1-NH2 3.13Å; D139-R176 IonicContact OD2-CZ 2.77Å; D139-R176 IonicContact OD2-NE 3.84Å; D139-R176 IonicContact OD2-NH2 3.83Å; D139-R176 PolarHBondContact OD2-NH2 3.23Å |
| 140 | I | 87.8 | Confident | 85.8 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.015 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 172.2 | -68.2 | 164.4 | 0 | 0 | 0 | 111.6 | M105 F124 T127 F128 H136 R137 L138 F142 Y143 L144 | M105-I140 HydrophobicContact CE-CG1 4.29Å; M105-I140 HydrophobicContact SD-CG1 3.98Å; F124-I140 HydrophobicContact CB-CG2 4.05Å; F124-I140 HydrophobicContact CD1-CG2 3.86Å; F124-I140 HydrophobicContact CG-CG2 4.33Å; T127-I140 HydrophobicContact CG2-CD1 3.87Å; F128-I140 HydrophobicContact CB-CG2 4.22Å; F128-I140 HydrophobicContact CD2-CB 4.47Å; F128-I140 HydrophobicContact CD2-CG2 4.17Å; H136-I140 WeakPolarHBondContact O-CG1 3.47Å; H136-I140 PolarHBondContact O-N 2.88Å; R137-I140 PolarHBondContact O-N 3.38Å; L138-I140 VanDerWaalsContact C-N 3.31Å; L138-I140 PolarHBondContact O-N 3.46Å; I140-F142 VanDerWaalsContact C-N 3.28Å; I140-F142 PolarHBondContact O-N 2.97Å; I140-Y143 WeakPolarHBondContact O-CB 3.28Å; I140-Y143 PolarHBondContact O-N 3.45Å; I140-L144 WeakPolarHBondContact O-CG 3.32Å; I140-L144 PolarHBondContact O-N 2.95Å |
| 141 | V | 89.5 | Confident | 85.6 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.018 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.3 | -35.3 | 177.6 | 176 | 0 | 0 | 0 | 0 | 111.1 | F128 R137 L138 D139 L144 L145 N160 A164 L167 | F128-V141 HydrophobicContact CD2-CG2 4.27Å; F128-V141 HydrophobicContact CE2-CG2 3.78Å; R137-V141 WeakPolarHBondContact O-CG2 3.38Å; R137-V141 PolarHBondContact O-N 3.16Å; R137-V141 VanDerWaalsContact O-N 3.09Å; L138-V141 PolarHBondContact O-N 2.96Å; D139-V141 PolarHBondContact O-N 3.46Å; V141-L144 PolarHBondContact O-N 2.97Å; V141-L145 HydrophobicContact CG1-CD1 4.25Å; V141-L145 WeakPolarHBondContact O-CG 3.37Å; V141-L145 PolarHBondContact O-N 3.3Å; V141-N160 HydrophobicContact CG1-CB 4.29Å; V141-N160 WeakPolarHBondContact CG1-O 3.39Å; V141-A164 HydrophobicContact CG1-CB 3.78Å; V141-L167 HydrophobicContact CG2-CD1 3.99Å |
| 142 | F | 88.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.3 | -37.6 | 172.5 | -65.1 | -46.9 | 0 | 0 | 0 | 112.7 | L138 D139 I140 L145 R146 R176 R179 L180 Y183 | L138-F142 HydrophobicContact CB-CE2 4.22Å; L138-F142 VanDerWaalsContact O-CD2 3.25Å; L138-F142 WeakPolarHBondContact O-CD2 3.49Å; L138-F142 WeakPolarHBondContact O-CG 3.31Å; L138-F142 PolarHBondContact O-N 2.99Å; D139-F142 PolarHBondContact O-N 3.45Å; I140-F142 VanDerWaalsContact C-N 3.28Å; I140-F142 PolarHBondContact O-N 2.97Å; F142-L145 HydrophobicContact CD1-CD1 4.09Å; F142-L145 PolarHBondContact O-N 3.35Å; F142-R146 WeakPolarHBondContact O-CG 3.1Å; F142-R146 PolarHBondContact O-N 2.84Å; F142-R146 PolarHBondContact O-NE 3.43Å; F142-R176 HydrophobicContact CE2-CB 4.09Å; F142-R176 HydrophobicContact CE2-CG 4.17Å; F142-R176 HydrophobicContact CZ-CB 4.27Å; F142-R176 WeakPolarHBondContact CZ-O 3.2Å; F142-R179 HydrophobicContact CZ-CB 4.4Å; F142-L180 HydrophobicContact CE1-CB 3.92Å; F142-L180 HydrophobicContact CE1-CD1 4.11Å; F142-L180 HydrophobicContact CZ-CB 4.25Å; F142-Y183 HydrophobicContact CB-CE2 4.37Å; F142-Y183 AromaticContact CD1-CD2 3.78Å; F142-Y183 HydrophobicContact CD1-CD2 3.78Å; F142-Y183 AromaticContact CD1-CE2 3.79Å; F142-Y183 HydrophobicContact CD1-CE2 3.79Å; F142-Y183 HydrophobicContact CE1-CD2 4.12Å; F142-Y183 HydrophobicContact CE1-CE2 4.42Å; F142-Y183 HydrophobicContact CG-CE2 4.24Å |
| 143 | Y | 87.7 | Confident | 85.8 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.3 | -45.7 | 169.8 | -79.6 | -72.4 | 0 | 0 | 0 | 111.7 | P12 N14 M105 E109 I112 F124 D139 I140 L145 R146 I147 | P12-Y143 WeakPolarHBondContact CG-OH 3.34Å; N14-Y143 HydrophobicContact CB-CE1 4.35Å; N14-Y143 VanDerWaalsContact O-CD1 3.25Å; N14-Y143 WeakPolarHBondContact O-CD1 3.36Å; N14-Y143 WeakPolarHBondContact O-CE1 3.49Å; M105-Y143 HydrophobicContact CE-CD2 3.52Å; M105-Y143 HydrophobicContact CE-CE2 3.18Å; E109-Y143 HydrophobicContact CG-CE1 4.28Å; E109-Y143 VanDerWaalsContact OE1-CZ 3.26Å; E109-Y143 PolarHBondContact OE1-OH 3.26Å; I112-Y143 HydrophobicContact CD1-CD1 3.59Å; I112-Y143 HydrophobicContact CD1-CE1 4.46Å; I112-Y143 HydrophobicContact CD1-CG 4.16Å; F124-Y143 HydrophobicContact CE1-CD2 4.27Å; F124-Y143 HydrophobicContact CE1-CG 4.11Å; F124-Y143 HydrophobicContact CZ-CG 4.23Å; D139-Y143 WeakPolarHBondContact O-CD2 3.49Å; D139-Y143 PolarHBondContact O-N 2.92Å; I140-Y143 WeakPolarHBondContact O-CB 3.28Å; I140-Y143 PolarHBondContact O-N 3.45Å; Y143-L145 VanDerWaalsContact C-N 3.33Å; Y143-L145 PolarHBondContact O-N 2.56Å; Y143-R146 VanDerWaalsContact CD1-CZ 3.44Å; Y143-R146 VanDerWaalsContact CE2-NH2 3.31Å; Y143-R146 PolarHBondContact O-N 3.29Å; Y143-I147 WeakPolarHBondContact O-CG1 3.41Å; Y143-I147 PolarHBondContact O-N 3.31Å |
| 144 | L | 88 | Confident | 85.8 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 7% | 0.068 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.9 | -37.1 | 178.2 | -66.5 | 174.9 | 0 | 0 | 0 | 112.9 | L121 F124 I140 V141 G148 N160 | L121-L144 HydrophobicContact CD2-CD2 3.53Å; F124-L144 HydrophobicContact CB-CD2 3.78Å; F124-L144 HydrophobicContact CB-CG 4.25Å; F124-L144 HydrophobicContact CD2-CD2 4.18Å; F124-L144 HydrophobicContact CG-CD2 4.19Å; I140-L144 WeakPolarHBondContact O-CG 3.32Å; I140-L144 PolarHBondContact O-N 2.95Å; V141-L144 PolarHBondContact O-N 2.97Å; L144-G148 PolarHBondContact O-N 2.9Å; L144-N160 WeakPolarHBondContact CB-ND2 3.33Å |
| 145 | L | 88.4 | Confident | 86 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 173.8 | -77.5 | 167.1 | 0 | 0 | 0 | 111.6 | V141 F142 Y143 G148 L149 I157 N160 T161 A164 L180 Y183 | V141-L145 HydrophobicContact CG1-CD1 4.25Å; V141-L145 WeakPolarHBondContact O-CG 3.37Å; V141-L145 PolarHBondContact O-N 3.3Å; F142-L145 HydrophobicContact CD1-CD1 4.09Å; F142-L145 PolarHBondContact O-N 3.35Å; Y143-L145 VanDerWaalsContact C-N 3.33Å; Y143-L145 PolarHBondContact O-N 2.56Å; L145-G148 WeakPolarHBondContact O-CA 3.26Å; L145-G148 PolarHBondContact O-N 2.99Å; L145-L149 PolarHBondContact O-N 3.37Å; L145-I157 HydrophobicContact CD2-CG2 4.02Å; L145-N160 HydrophobicContact CD2-CB 3.8Å; L145-N160 HydrophobicContact CG-CB 3.96Å; L145-T161 WeakPolarHBondContact CD2-OG1 3.46Å; L145-A164 HydrophobicContact CD1-CB 4.48Å; L145-L180 HydrophobicContact CD1-CD1 4.02Å; L145-Y183 HydrophobicContact CB-CD1 4.27Å |
| 146 | R | 85.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.1 | -44.9 | 175.7 | -75.1 | 175.7 | -81.2 | 175.9 | 1.9 | 112.5 | P12 N14 P15 F142 Y143 G148 L149 F150 Y183 E212 | P12-R146 PolarHBondContact O-NH1 3.02Å; N14-R146 PolarHBondContact O-NH1 3.46Å; P15-R146 HydrophobicContact CG-CB 4.37Å; F142-R146 WeakPolarHBondContact O-CG 3.1Å; F142-R146 PolarHBondContact O-N 2.84Å; F142-R146 PolarHBondContact O-NE 3.43Å; Y143-R146 VanDerWaalsContact CD1-CZ 3.44Å; Y143-R146 VanDerWaalsContact CE2-NH2 3.31Å; Y143-R146 PolarHBondContact O-N 3.29Å; R146-G148 VanDerWaalsContact C-N 3.27Å; R146-G148 PolarHBondContact O-N 3.23Å; R146-L149 PolarHBondContact O-N 3.26Å; R146-F150 WeakPolarHBondContact O-CB 3.42Å; R146-F150 PolarHBondContact O-N 3.16Å; R146-Y183 WeakPolarHBondContact CD-OH 3.01Å; R146-Y183 HydrophobicContact CG-CE1 3.5Å; R146-Y183 WeakPolarHBondContact CG-OH 3.44Å; R146-E212 IonicContact CZ-OE2 3.76Å; R146-E212 IonicContact NE-OE2 2.7Å; R146-E212 PolarHBondContact NE-OE2 3.17Å; R146-E212 IonicContact NH1-OE2 2.69Å; R146-E212 PolarHBondContact NH1-OE2 2.95Å; R146-E212 IonicContact NH2-OE2 2.72Å |
| 147 | I | 86.2 | Confident | 86.5 | Confident | 6 Ų | 6 | 26.5 Ų | 26.5 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.5 | -44.5 | 173.2 | -63.2 | 169.9 | 0 | 0 | 0 | 109.9 | P15 I112 K117 A120 F124 Y143 L149 F150 Y151 | P15-I147 HydrophobicContact CG-CG1 4.26Å; I112-I147 HydrophobicContact CD1-CD1 3.69Å; I112-I147 HydrophobicContact CD1-CG1 3.98Å; I112-I147 HydrophobicContact CG1-CD1 3.77Å; I112-I147 HydrophobicContact CG1-CG1 4.19Å; K117-I147 HydrophobicContact CG-CG2 4.31Å; A120-I147 HydrophobicContact CB-CD1 4.45Å; F124-I147 HydrophobicContact CD2-CD1 4.26Å; F124-I147 HydrophobicContact CE2-CD1 4.15Å; Y143-I147 WeakPolarHBondContact O-CG1 3.41Å; Y143-I147 PolarHBondContact O-N 3.31Å; I147-L149 PolarHBondContact O-N 3.37Å; I147-F150 PolarHBondContact O-N 3.34Å; I147-Y151 HydrophobicContact CG2-CD2 3.83Å; I147-Y151 HydrophobicContact CG2-CE2 4.08Å; I147-Y151 WeakPolarHBondContact O-CD2 3.47Å; I147-Y151 PolarHBondContact O-N 2.87Å; I147-Y151 VanDerWaalsContact O-N 3.11Å |
| 148 | G | 85.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57 | -45.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L144 L145 R146 M152 D153 | L144-G148 PolarHBondContact O-N 2.9Å; L145-G148 WeakPolarHBondContact O-CA 3.26Å; L145-G148 PolarHBondContact O-N 2.99Å; R146-G148 VanDerWaalsContact C-N 3.27Å; R146-G148 PolarHBondContact O-N 3.23Å; G148-M152 CarbonylContact O-C 3.49Å; G148-M152 WeakPolarHBondContact O-CA 3.28Å; G148-M152 PolarHBondContact O-N 3.42Å; G148-D153 PolarHBondContact O-N 3.31Å |
| 149 | L | 85 | Confident | 86.9 | Confident | 12 Ų | 12 | 32.2 Ų | 32.2 | 6% | 0.063 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.3 | -43 | 177.4 | -73.7 | 171.5 | 0 | 0 | 0 | 112.5 | L145 R146 I147 Y151 M152 I157 Y183 L213 | L145-L149 PolarHBondContact O-N 3.37Å; R146-L149 PolarHBondContact O-N 3.26Å; I147-L149 PolarHBondContact O-N 3.37Å; L149-Y151 VanDerWaalsContact C-N 3.3Å; L149-Y151 PolarHBondContact O-N 2.97Å; L149-M152 WeakPolarHBondContact O-CG 3.23Å; L149-M152 PolarHBondContact O-N 3.28Å; L149-M152 VanDerWaalsContact O-N 3.08Å; L149-M152 VanDerWaalsContact O-SD 3.38Å; L149-I157 HydrophobicContact CD2-CD1 3.86Å; L149-I157 HydrophobicContact CG-CD1 4.25Å; L149-Y183 HydrophobicContact CD1-CD1 3.69Å; L149-Y183 HydrophobicContact CD1-CE1 4.16Å; L149-L213 HydrophobicContact CD1-CD2 4.33Å |
| 150 | F | 83.9 | Confident | 87.1 | Confident | 15 Ų | 15 | 31.6 Ų | 31.6 | 7% | 0.066 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.5 | -40.6 | 179.1 | -177 | -92.9 | 0 | 0 | 0 | 112.5 | P15 L17 I19 A20 Y53 R146 I147 | P15-F150 HydrophobicContact CB-CD2 4.46Å; L17-F150 HydrophobicContact CD2-CB 4.07Å; L17-F150 HydrophobicContact CD2-CD2 4.25Å; I19-F150 HydrophobicContact CB-CE2 4.38Å; A20-F150 HydrophobicContact CB-CD2 3.71Å; A20-F150 HydrophobicContact CB-CE1 4.48Å; A20-F150 HydrophobicContact CB-CE2 3.38Å; A20-F150 HydrophobicContact CB-CG 4.4Å; A20-F150 HydrophobicContact CB-CZ 3.82Å; Y53-F150 HydrophobicContact CD2-CE1 4Å; Y53-F150 HydrophobicContact CD2-CZ 4.13Å; Y53-F150 HydrophobicContact CE1-CZ 4.32Å; Y53-F150 AromaticContact CE2-CE1 3.45Å; Y53-F150 HydrophobicContact CE2-CE1 3.45Å; Y53-F150 VanDerWaalsContact CE2-CE1 3.45Å; Y53-F150 AromaticContact CE2-CZ 3.43Å; Y53-F150 HydrophobicContact CE2-CZ 3.43Å; Y53-F150 VanDerWaalsContact CE2-CZ 3.43Å; Y53-F150 AromaticContact CZ-CZ 3.52Å; R146-F150 WeakPolarHBondContact O-CB 3.42Å; R146-F150 PolarHBondContact O-N 3.16Å; I147-F150 PolarHBondContact O-N 3.34Å |
| 151 | Y | 82.3 | Confident | 87.3 | Confident | 81 Ų | 81 | 32 Ų | 32 | 32% | 0.318 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -1 | 176.2 | -69.8 | -73 | 0 | 0 | 0 | 114 | G115 K117 I147 L149 D153 | G115-Y151 PolarHBondContact O-OH 3.34Å; K117-Y151 HydrophobicContact CB-CE2 3.89Å; K117-Y151 HydrophobicContact CD-CD2 3.91Å; K117-Y151 HydrophobicContact CD-CE2 4.15Å; K117-Y151 HydrophobicContact CD-CG 4.14Å; K117-Y151 HydrophobicContact CG-CD2 4.13Å; K117-Y151 HydrophobicContact CG-CE2 3.99Å; I147-Y151 HydrophobicContact CG2-CD2 3.83Å; I147-Y151 HydrophobicContact CG2-CE2 4.08Å; I147-Y151 WeakPolarHBondContact O-CD2 3.47Å; I147-Y151 PolarHBondContact O-N 2.87Å; I147-Y151 VanDerWaalsContact O-N 3.11Å; L149-Y151 VanDerWaalsContact C-N 3.3Å; L149-Y151 PolarHBondContact O-N 2.97Å; Y151-D153 VanDerWaalsContact C-N 3.29Å; Y151-D153 PolarHBondContact O-N 3.46Å |
| 152 | M | 81.8 | Confident | 87.3 | Confident | 99 Ų | 99 | 37.7 Ų | 37.7 | 49% | 0.488 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 43.1 | -175.6 | -65.2 | -68.6 | -74 | 0 | 0 | 113.9 | G148 L149 S154 A190 L287 | G148-M152 CarbonylContact O-C 3.49Å; G148-M152 WeakPolarHBondContact O-CA 3.28Å; G148-M152 PolarHBondContact O-N 3.42Å; L149-M152 WeakPolarHBondContact O-CG 3.23Å; L149-M152 PolarHBondContact O-N 3.28Å; L149-M152 VanDerWaalsContact O-N 3.08Å; L149-M152 VanDerWaalsContact O-SD 3.38Å; M152-S154 PolarHBondContact O-N 3.49Å; M152-A190 HydrophobicContact CE-CB 3.78Å; M152-L287 HydrophobicContact CE-CD1 4.4Å |
| 153 | D | 86.2 | Confident | 87.4 | Confident | 46 Ų | 46 | 43.1 Ų | 43.1 | 25% | 0.246 | 21% | 0.21 | C | C | . | . | trans | -90.9 | 97 | 179.7 | -171 | -26.2 | 0 | 0 | 0 | 111 | K117 G148 Y151 D155 L156 I157 | K117-D153 IonicContact NZ-OD2 3.55Å; K117-D153 PolarHBondContact NZ-OD2 3.08Å; G148-D153 PolarHBondContact O-N 3.31Å; Y151-D153 VanDerWaalsContact C-N 3.29Å; Y151-D153 PolarHBondContact O-N 3.46Å; D153-D155 VanDerWaalsContact C-N 3.32Å; D153-D155 PolarHBondContact O-N 3.18Å; D153-D155 PolarHBondContact OD1-N 3.03Å; D153-L156 HydrophobicContact CB-CB 4.03Å; D153-L156 PolarHBondContact O-N 2.85Å; D153-L156 PolarHBondContact OD1-N 3.3Å; D153-I157 WeakPolarHBondContact O-CD1 3.49Å; D153-I157 VanDerWaalsContact O-CG1 3.27Å; D153-I157 WeakPolarHBondContact O-CG1 3.45Å; D153-I157 PolarHBondContact O-N 3.29Å | ||
| 154 | S | 85.4 | Confident | 87.4 | Confident | 57 Ų | 57 | 43 Ų | 43 | 40% | 0.399 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59 | -37.1 | -176 | -59.4 | 0 | 0 | 0 | 0 | 113.9 | M152 I157 T158 Y187 | M152-S154 PolarHBondContact O-N 3.49Å; S154-I157 PolarHBondContact O-N 3.4Å; S154-T158 WeakPolarHBondContact O-CB 3.34Å; S154-T158 VanDerWaalsContact O-CG2 3.27Å; S154-T158 WeakPolarHBondContact O-CG2 3.49Å; S154-T158 PolarHBondContact O-N 3.09Å; S154-T158 PolarHBondContact O-OG1 3.41Å; S154-Y187 WeakPolarHBondContact CB-OH 3.25Å |
| 155 | D | 88.4 | Confident | 87.5 | Confident | 112 Ų | 112 | 45.5 Ų | 45.5 | 60% | 0.599 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -73.8 | -33.9 | -177.7 | -68.8 | -27.4 | 0 | 0 | 0 | 111.6 | D153 T158 R159 | D153-D155 VanDerWaalsContact C-N 3.32Å; D153-D155 PolarHBondContact O-N 3.18Å; D153-D155 PolarHBondContact OD1-N 3.03Å; D155-T158 WeakPolarHBondContact CA-OG1 3.3Å; D155-T158 PolarHBondContact O-OG1 3.38Å; D155-R159 WeakPolarHBondContact O-CG 3.32Å; D155-R159 PolarHBondContact O-N 2.98Å; D155-R159 PolarHBondContact O-NE 3.28Å |
| 156 | L | 88.6 | Confident | 87.6 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.5 | -44.8 | 173.7 | -174.3 | 61.8 | 0 | 0 | 0 | 111.1 | L121 D153 N160 | L121-L156 HydrophobicContact CD1-CD2 4.46Å; L121-L156 HydrophobicContact CD2-CD1 4.32Å; L121-L156 HydrophobicContact CD2-CD2 4Å; D153-L156 HydrophobicContact CB-CB 4.03Å; D153-L156 PolarHBondContact O-N 2.85Å; D153-L156 PolarHBondContact OD1-N 3.3Å; L156-N160 VanDerWaalsContact CD1-ND2 3.32Å; L156-N160 WeakPolarHBondContact CD1-ND2 3.38Å; L156-N160 WeakPolarHBondContact O-CB 3.5Å; L156-N160 VanDerWaalsContact O-CG 3.3Å; L156-N160 PolarHBondContact O-N 3.33Å; L156-N160 VanDerWaalsContact O-N 3.14Å; L156-N160 PolarHBondContact O-ND2 2.81Å; L156-N160 VanDerWaalsContact O-ND2 3.09Å |
| 157 | I | 89.7 | Confident | 87.6 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.9 | -47.7 | -178.6 | -63.2 | 161.6 | 0 | 0 | 0 | 110.8 | L145 L149 D153 S154 R159 N160 T161 Y187 | L145-I157 HydrophobicContact CD2-CG2 4.02Å; L149-I157 HydrophobicContact CD2-CD1 3.86Å; L149-I157 HydrophobicContact CG-CD1 4.25Å; D153-I157 WeakPolarHBondContact O-CD1 3.49Å; D153-I157 VanDerWaalsContact O-CG1 3.27Å; D153-I157 WeakPolarHBondContact O-CG1 3.45Å; D153-I157 PolarHBondContact O-N 3.29Å; S154-I157 PolarHBondContact O-N 3.4Å; I157-R159 PolarHBondContact O-N 3.44Å; I157-N160 PolarHBondContact O-N 3.45Å; I157-T161 VanDerWaalsContact O-CB 3.31Å; I157-T161 WeakPolarHBondContact O-CB 3.35Å; I157-T161 PolarHBondContact O-N 2.86Å; I157-T161 PolarHBondContact O-OG1 3.46Å; I157-Y187 HydrophobicContact CB-CD2 4.05Å; I157-Y187 HydrophobicContact CB-CE2 4.05Å; I157-Y187 HydrophobicContact CB-CG 4.44Å; I157-Y187 HydrophobicContact CD1-CD2 3.59Å; I157-Y187 HydrophobicContact CD1-CE2 3.8Å; I157-Y187 HydrophobicContact CG1-CD2 4.42Å; I157-Y187 HydrophobicContact CG2-CD1 3.9Å; I157-Y187 HydrophobicContact CG2-CD2 3.55Å; I157-Y187 HydrophobicContact CG2-CE1 4.31Å; I157-Y187 HydrophobicContact CG2-CE2 3.99Å; I157-Y187 HydrophobicContact CG2-CG 3.5Å; I157-Y187 VanDerWaalsContact CG2-CG 3.5Å |
| 158 | T | 89.8 | Confident | 87.7 | Confident | 60 Ų | 60 | 48.6 Ų | 48.6 | 37% | 0.368 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.6 | -47.2 | -178.3 | 47.4 | 0 | 0 | 0 | 0 | 112.5 | S154 D155 N160 T161 E162 Y187 | S154-T158 WeakPolarHBondContact O-CB 3.34Å; S154-T158 VanDerWaalsContact O-CG2 3.27Å; S154-T158 WeakPolarHBondContact O-CG2 3.49Å; S154-T158 PolarHBondContact O-N 3.09Å; S154-T158 PolarHBondContact O-OG1 3.41Å; D155-T158 WeakPolarHBondContact CA-OG1 3.3Å; D155-T158 PolarHBondContact O-OG1 3.38Å; T158-N160 PolarHBondContact O-N 3.47Å; T158-T161 PolarHBondContact O-N 3.19Å; T158-E162 PolarHBondContact O-N 3.06Å; T158-E162 VanDerWaalsContact O-N 3.1Å; T158-Y187 HydrophobicContact CG2-CE1 3.7Å; T158-Y187 WeakPolarHBondContact CG2-OH 3.21Å |
| 159 | R | 91.4 | Very high | 87.7 | Confident | 133 Ų | 133 | 56.1 Ų | 56.1 | 50% | 0.502 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 177.3 | -73.7 | -178.4 | -68.7 | 168.4 | -4.3 | 112.5 | D155 I157 K163 | D155-R159 WeakPolarHBondContact O-CG 3.32Å; D155-R159 PolarHBondContact O-N 2.98Å; D155-R159 PolarHBondContact O-NE 3.28Å; I157-R159 PolarHBondContact O-N 3.44Å; R159-K163 WeakPolarHBondContact O-CG 3.31Å; R159-K163 PolarHBondContact O-N 3.03Å |
| 160 | N | 90.3 | Very high | 87.7 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.043 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -74.9 | -30 | -178.9 | -66.9 | -28.6 | 0 | 0 | 0 | 112.2 | V141 L144 L145 L156 I157 T158 K163 A164 | V141-N160 HydrophobicContact CG1-CB 4.29Å; V141-N160 WeakPolarHBondContact CG1-O 3.39Å; L144-N160 WeakPolarHBondContact CB-ND2 3.33Å; L145-N160 HydrophobicContact CD2-CB 3.8Å; L145-N160 HydrophobicContact CG-CB 3.96Å; L156-N160 VanDerWaalsContact CD1-ND2 3.32Å; L156-N160 WeakPolarHBondContact CD1-ND2 3.38Å; L156-N160 WeakPolarHBondContact O-CB 3.5Å; L156-N160 VanDerWaalsContact O-CG 3.3Å; L156-N160 PolarHBondContact O-N 3.33Å; L156-N160 VanDerWaalsContact O-N 3.14Å; L156-N160 PolarHBondContact O-ND2 2.81Å; L156-N160 VanDerWaalsContact O-ND2 3.09Å; I157-N160 PolarHBondContact O-N 3.45Å; T158-N160 PolarHBondContact O-N 3.47Å; N160-K163 PolarHBondContact O-N 3.22Å; N160-A164 WeakPolarHBondContact O-CB 3.43Å; N160-A164 PolarHBondContact O-N 2.86Å |
| 161 | T | 90.3 | Very high | 87.5 | Confident | 11 Ų | 11 | 63.6 Ų | 63.6 | 7% | 0.067 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 174.5 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | L145 I157 T158 A164 K165 Q184 | L145-T161 WeakPolarHBondContact CD2-OG1 3.46Å; I157-T161 VanDerWaalsContact O-CB 3.31Å; I157-T161 WeakPolarHBondContact O-CB 3.35Å; I157-T161 PolarHBondContact O-N 2.86Å; I157-T161 PolarHBondContact O-OG1 3.46Å; T158-T161 PolarHBondContact O-N 3.19Å; T161-A164 PolarHBondContact O-N 3.18Å; T161-K165 WeakPolarHBondContact O-CG 3.48Å; T161-K165 PolarHBondContact O-N 3.39Å; T161-Q184 HydrophobicContact CG2-CB 4.46Å; T161-Q184 HydrophobicContact CG2-CG 4.25Å |
| 162 | E | 90.8 | Very high | 87.1 | Confident | 123 Ų | 123 | 60.8 Ų | 60.8 | 58% | 0.575 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.8 | -43 | 177.7 | -164.4 | 61.7 | -161.2 | 0 | 0 | 111.7 | T158 A164 K165 S166 | T158-E162 PolarHBondContact O-N 3.06Å; T158-E162 VanDerWaalsContact O-N 3.1Å; E162-A164 VanDerWaalsContact C-N 3.32Å; E162-A164 PolarHBondContact O-N 3.4Å; E162-K165 WeakPolarHBondContact O-CB 3.39Å; E162-K165 PolarHBondContact O-N 2.95Å; E162-S166 PolarHBondContact O-N 3.32Å; E162-S166 VanDerWaalsContact O-N 3.12Å |
| 163 | K | 89.3 | Confident | 86.9 | Confident | 114 Ų | 114 | 60.3 Ų | 60.3 | 50% | 0.496 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 172.8 | -72.5 | 179.1 | 177.8 | -170.3 | 0 | 112.7 | R159 N160 K165 S166 L167 | R159-K163 WeakPolarHBondContact O-CG 3.31Å; R159-K163 PolarHBondContact O-N 3.03Å; N160-K163 PolarHBondContact O-N 3.22Å; K163-K165 VanDerWaalsContact C-N 3.33Å; K163-S166 PolarHBondContact O-N 2.92Å; K163-S166 PolarHBondContact O-OG 2.74Å; K163-L167 VanDerWaalsContact O-CG 3.26Å; K163-L167 WeakPolarHBondContact O-CG 3.22Å; K163-L167 PolarHBondContact O-N 2.93Å; K163-L167 VanDerWaalsContact O-N 3.13Å |
| 164 | A | 89.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V141 L145 N160 T161 E162 L167 I168 L180 | V141-A164 HydrophobicContact CG1-CB 3.78Å; L145-A164 HydrophobicContact CD1-CB 4.48Å; N160-A164 WeakPolarHBondContact O-CB 3.43Å; N160-A164 PolarHBondContact O-N 2.86Å; T161-A164 PolarHBondContact O-N 3.18Å; E162-A164 VanDerWaalsContact C-N 3.32Å; E162-A164 PolarHBondContact O-N 3.4Å; A164-L167 PolarHBondContact O-N 2.69Å; A164-I168 VanDerWaalsContact O-CG1 3.26Å; A164-I168 WeakPolarHBondContact O-CG1 3.14Å; A164-I168 PolarHBondContact O-N 3.41Å; A164-L180 HydrophobicContact CB-CD1 3.5Å; A164-L180 HydrophobicContact CB-CD2 3.77Å; A164-L180 HydrophobicContact CB-CG 4.28Å |
| 165 | K | 89.6 | Confident | 86.7 | Confident | 67 Ų | 67 | 65.3 Ų | 65.3 | 29% | 0.291 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 176.7 | -73.1 | 175.7 | -176.4 | 171.5 | 0 | 112.1 | T161 E162 K163 L167 I168 E169 L180 | T161-K165 WeakPolarHBondContact O-CG 3.48Å; T161-K165 PolarHBondContact O-N 3.39Å; E162-K165 WeakPolarHBondContact O-CB 3.39Å; E162-K165 PolarHBondContact O-N 2.95Å; K163-K165 VanDerWaalsContact C-N 3.33Å; K165-L167 VanDerWaalsContact C-N 3.35Å; K165-L167 PolarHBondContact O-N 2.99Å; K165-I168 PolarHBondContact O-N 3.31Å; K165-E169 WeakPolarHBondContact O-CG 3.42Å; K165-E169 PolarHBondContact O-N 3Å; K165-L180 HydrophobicContact CG-CD2 4.05Å |
| 166 | S | 89.9 | Confident | 86.4 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 178.8 | 66 | 0 | 0 | 0 | 0 | 111.8 | E162 K163 I168 E169 E170 | E162-S166 PolarHBondContact O-N 3.32Å; E162-S166 VanDerWaalsContact O-N 3.12Å; K163-S166 PolarHBondContact O-N 2.92Å; K163-S166 PolarHBondContact O-OG 2.74Å; S166-I168 VanDerWaalsContact C-N 3.3Å; S166-I168 PolarHBondContact O-N 3.39Å; S166-E169 PolarHBondContact O-N 3.46Å; S166-E170 WeakPolarHBondContact O-CG 3.07Å; S166-E170 PolarHBondContact O-N 2.88Å; S166-E170 VanDerWaalsContact O-N 3.1Å |
| 167 | L | 87 | Confident | 86.4 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.7 | -31.4 | 178.1 | -68.4 | 170.9 | 0 | 0 | 0 | 112.8 | F128 L134 R137 L138 V141 K163 A164 K165 | F128-L167 HydrophobicContact CE2-CD1 4.07Å; F128-L167 HydrophobicContact CZ-CD1 4.15Å; L134-L167 HydrophobicContact CD1-CB 4.22Å; L134-L167 HydrophobicContact CD1-CD2 3.76Å; R137-L167 HydrophobicContact CB-CD1 4.47Å; L138-L167 HydrophobicContact CD2-CB 3.55Å; L138-L167 HydrophobicContact CD2-CD1 4.22Å; L138-L167 HydrophobicContact CG-CB 4.16Å; V141-L167 HydrophobicContact CG2-CD1 3.99Å; K163-L167 VanDerWaalsContact O-CG 3.26Å; K163-L167 WeakPolarHBondContact O-CG 3.22Å; K163-L167 PolarHBondContact O-N 2.93Å; K163-L167 VanDerWaalsContact O-N 3.13Å; A164-L167 PolarHBondContact O-N 2.69Å; K165-L167 VanDerWaalsContact C-N 3.35Å; K165-L167 PolarHBondContact O-N 2.99Å |
| 168 | I | 87.6 | Confident | 86.3 | Confident | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.062 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -74.2 | -35.2 | 175.9 | -69.8 | -175.7 | 0 | 0 | 0 | 111.5 | L138 A164 K165 S166 E170 G171 G172 R177 L180 | L138-I168 HydrophobicContact CD1-CG1 4.11Å; L138-I168 HydrophobicContact CD2-CD1 4.41Å; L138-I168 HydrophobicContact CD2-CG1 3.69Å; A164-I168 VanDerWaalsContact O-CG1 3.26Å; A164-I168 WeakPolarHBondContact O-CG1 3.14Å; A164-I168 PolarHBondContact O-N 3.41Å; K165-I168 PolarHBondContact O-N 3.31Å; S166-I168 VanDerWaalsContact C-N 3.3Å; S166-I168 PolarHBondContact O-N 3.39Å; I168-E170 VanDerWaalsContact C-N 3.3Å; I168-G171 PolarHBondContact O-N 3.48Å; I168-G172 PolarHBondContact O-N 3.47Å; I168-R177 HydrophobicContact CD1-CB 4.46Å; I168-R177 HydrophobicContact CG2-CB 4.14Å; I168-R177 HydrophobicContact CG2-CG 3.98Å; I168-L180 HydrophobicContact CD1-CB 3.72Å; I168-L180 HydrophobicContact CD1-CD2 3.41Å; I168-L180 VanDerWaalsContact CD1-CD2 3.41Å; I168-L180 HydrophobicContact CD1-CG 4.17Å; I168-L180 HydrophobicContact CG1-CD2 4.39Å |
| 169 | E | 86.1 | Confident | 86.1 | Confident | 157 Ų | 157 | 66.5 Ų | 66.5 | 73% | 0.734 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.1 | -33.3 | 174.2 | -72.3 | 178.3 | -176.7 | 0 | 0 | 112.5 | K165 S166 G171 | K165-E169 WeakPolarHBondContact O-CG 3.42Å; K165-E169 PolarHBondContact O-N 3Å; S166-E169 PolarHBondContact O-N 3.46Å; E169-G171 VanDerWaalsContact C-N 3.28Å; E169-G171 PolarHBondContact O-N 3.46Å |
| 170 | E | 85 | Confident | 86.1 | Confident | 135 Ų | 135 | 60.6 Ų | 60.6 | 63% | 0.631 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -68.4 | -22.5 | 177 | -74.1 | 173.9 | -167.2 | 0 | 0 | 113.8 | S166 I168 | S166-E170 WeakPolarHBondContact O-CG 3.07Å; S166-E170 PolarHBondContact O-N 2.88Å; S166-E170 VanDerWaalsContact O-N 3.1Å; I168-E170 VanDerWaalsContact C-N 3.3Å |
| 171 | G | 78.3 | Confident | 86.1 | Confident | 49 Ų | 49 | 62.7 Ų | 62.7 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | 154.6 | 35.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L134 I168 E169 | L134-G171 VanDerWaalsContact CD2-C 3.41Å; L134-G171 WeakPolarHBondContact CD2-O 3.4Å; I168-G171 PolarHBondContact O-N 3.48Å; E169-G171 VanDerWaalsContact C-N 3.28Å; E169-G171 PolarHBondContact O-N 3.46Å |
| 172 | G | 74.9 | Confident | 86.2 | Confident | 22 Ų | 22 | 62.2 Ų | 62.2 | 23% | 0.227 | 30% | 0.302 | C | S | . | . | trans | -73.1 | 137.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I168 | I168-G172 PolarHBondContact O-N 3.47Š| ||
| 173 | D | 78.1 | Confident | 86.1 | Confident | 89 Ų | 89 | 56.5 Ų | 56.5 | 48% | 0.476 | 28% | 0.275 | S | S | . | . | trans | -58.1 | 149.1 | 172.3 | -61.5 | -48.5 | 0 | 0 | 0 | 111.8 | D175 R176 R177 | D173-D175 VanDerWaalsContact C-N 3.3Å; D173-D175 PolarHBondContact O-N 3.34Å; D173-R176 HydrophobicContact CB-CG 4.49Å; D173-R176 PolarHBondContact O-N 3.29Å; D173-R176 IonicContact OD2-CZ 3.7Å; D173-R176 IonicContact OD2-NH1 3.75Å; D173-R176 PolarHBondContact OD2-NH1 3.37Å; D173-R177 PolarHBondContact O-N 3.03Å | ||
| 174 | W | 82.9 | Confident | 86.2 | Confident | 158 Ų | 158 | 52.1 Ų | 52.1 | 60% | 0.598 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59 | -38.9 | -178.5 | -170.9 | 89 | 0 | 0 | 0 | 112.9 | R177 N178 T207 | W174-R177 WeakPolarHBondContact O-CB 3.33Å; W174-R177 PolarHBondContact O-N 3.11Å; W174-N178 VanDerWaalsContact CE3-ND2 3.35Å; W174-N178 WeakPolarHBondContact CH2-ND2 3.38Å; W174-N178 WeakPolarHBondContact CZ2-ND2 3.41Å; W174-N178 WeakPolarHBondContact CZ3-ND2 3.44Å; W174-N178 PolarHBondContact O-N 3.08Å; W174-T207 HydrophobicContact CH2-CG2 3.34Å; W174-T207 WeakPolarHBondContact CH2-OG1 3.45Å; W174-T207 HydrophobicContact CZ3-CG2 3.63Å |
| 175 | D | 82.9 | Confident | 86.3 | Confident | 51 Ų | 51 | 52.1 Ų | 52.1 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 176.1 | 178.8 | 68.2 | 0 | 0 | 0 | 112.1 | D173 R177 N178 R179 T209 | D173-D175 VanDerWaalsContact C-N 3.3Å; D173-D175 PolarHBondContact O-N 3.34Å; D175-R177 PolarHBondContact O-N 3.35Å; D175-N178 PolarHBondContact O-N 2.91Å; D175-R179 WeakPolarHBondContact O-CG 3.32Å; D175-R179 PolarHBondContact O-N 3.09Å; D175-R179 IonicContact OD1-NE 3.48Å; D175-R179 IonicContact OD2-CZ 3.17Å; D175-R179 IonicContact OD2-NE 2.77Å; D175-R179 PolarHBondContact OD2-NE 3.06Å; D175-R179 IonicContact OD2-NH1 2.9Å; D175-R179 IonicContact OD2-NH2 2.65Å; D175-R179 PolarHBondContact OD2-NH2 2.69Å; D175-T209 WeakPolarHBondContact OD1-CB 3.25Å; D175-T209 WeakPolarHBondContact OD1-CG2 3.34Å; D175-T209 PolarHBondContact OD1-OG1 3.16Å |
| 176 | R | 83.6 | Confident | 86.3 | Confident | 51 Ų | 51 | 49.5 Ų | 49.5 | 19% | 0.192 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -32.3 | 176.5 | -69.7 | -177.2 | 168 | 91.4 | 2 | 112 | L138 D139 F142 D173 R179 L180 | L138-R176 HydrophobicContact CD1-CB 4.45Å; D139-R176 IonicContact OD1-CZ 3.82Å; D139-R176 IonicContact OD1-NE 3.25Å; D139-R176 PolarHBondContact OD1-NE 3.21Å; D139-R176 IonicContact OD1-NH2 2.88Å; D139-R176 PolarHBondContact OD1-NH2 3.13Å; D139-R176 IonicContact OD2-CZ 2.77Å; D139-R176 IonicContact OD2-NE 3.84Å; D139-R176 IonicContact OD2-NH2 3.83Å; D139-R176 PolarHBondContact OD2-NH2 3.23Å; F142-R176 HydrophobicContact CE2-CB 4.09Å; F142-R176 HydrophobicContact CE2-CG 4.17Å; F142-R176 HydrophobicContact CZ-CB 4.27Å; F142-R176 WeakPolarHBondContact CZ-O 3.2Å; D173-R176 HydrophobicContact CB-CG 4.49Å; D173-R176 PolarHBondContact O-N 3.29Å; D173-R176 IonicContact OD2-CZ 3.7Å; D173-R176 IonicContact OD2-NH1 3.75Å; D173-R176 PolarHBondContact OD2-NH1 3.37Å; R176-R179 PolarHBondContact O-N 3.42Å; R176-L180 PolarHBondContact O-N 3.09Å |
| 177 | R | 86.8 | Confident | 86.3 | Confident | 125 Ų | 125 | 48.4 Ų | 48.4 | 47% | 0.472 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.9 | -42 | 172.9 | -168.1 | 175.6 | -139.2 | 164.9 | 7.1 | 112.4 | I168 D173 W174 D175 L180 K181 | I168-R177 HydrophobicContact CD1-CB 4.46Å; I168-R177 HydrophobicContact CG2-CB 4.14Å; I168-R177 HydrophobicContact CG2-CG 3.98Å; D173-R177 PolarHBondContact O-N 3.03Å; W174-R177 WeakPolarHBondContact O-CB 3.33Å; W174-R177 PolarHBondContact O-N 3.11Å; D175-R177 PolarHBondContact O-N 3.35Å; R177-L180 PolarHBondContact O-N 3.12Å; R177-K181 WeakPolarHBondContact O-CG 3.08Å; R177-K181 PolarHBondContact O-N 3.22Å; R177-K181 VanDerWaalsContact O-N 3.08Å |
| 178 | N | 87.8 | Confident | 86.5 | Confident | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.032 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.2 | -41.3 | 177.3 | -67.4 | -14.7 | 0 | 0 | 0 | 111.6 | W174 D175 L180 K181 V182 T204 T207 | W174-N178 VanDerWaalsContact CE3-ND2 3.35Å; W174-N178 WeakPolarHBondContact CH2-ND2 3.38Å; W174-N178 WeakPolarHBondContact CZ2-ND2 3.41Å; W174-N178 WeakPolarHBondContact CZ3-ND2 3.44Å; W174-N178 PolarHBondContact O-N 3.08Å; D175-N178 PolarHBondContact O-N 2.91Å; N178-L180 VanDerWaalsContact C-N 3.33Å; N178-L180 PolarHBondContact O-N 2.83Å; N178-K181 WeakPolarHBondContact O-CB 3.49Å; N178-K181 PolarHBondContact O-N 2.87Å; N178-K181 VanDerWaalsContact O-N 3.11Å; N178-V182 WeakPolarHBondContact O-CG2 3.39Å; N178-V182 PolarHBondContact O-N 3.15Å; N178-T204 HydrophobicContact CB-CG2 4.2Å; N178-T207 PolarHBondContact ND2-OG1 3.27Å |
| 179 | R | 87.2 | Confident | 86.7 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 8% | 0.083 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.5 | -47.1 | 173.6 | -62.3 | -173.9 | -177.5 | 177.8 | -2.7 | 111.2 | E9 L11 F142 D175 R176 K181 V182 Y183 T209 S210 | E9-R179 PolarHBondContact O-NH2 3.01Å; L11-R179 VanDerWaalsContact CD1-NH1 3.35Å; L11-R179 VanDerWaalsContact CG-NH1 3.29Å; F142-R179 HydrophobicContact CZ-CB 4.4Å; D175-R179 WeakPolarHBondContact O-CG 3.32Å; D175-R179 PolarHBondContact O-N 3.09Å; D175-R179 IonicContact OD1-NE 3.48Å; D175-R179 IonicContact OD2-CZ 3.17Å; D175-R179 IonicContact OD2-NE 2.77Å; D175-R179 PolarHBondContact OD2-NE 3.06Å; D175-R179 IonicContact OD2-NH1 2.9Å; D175-R179 IonicContact OD2-NH2 2.65Å; D175-R179 PolarHBondContact OD2-NH2 2.69Å; R176-R179 PolarHBondContact O-N 3.42Å; R179-K181 VanDerWaalsContact C-N 3.29Å; R179-K181 PolarHBondContact O-N 3.35Å; R179-V182 WeakPolarHBondContact O-CB 3.33Å; R179-V182 PolarHBondContact O-N 3.01Å; R179-Y183 HydrophobicContact CB-CE2 4.48Å; R179-Y183 WeakPolarHBondContact O-CD2 3.47Å; R179-Y183 PolarHBondContact O-N 2.88Å; R179-T209 PolarHBondContact NE-OG1 3.08Å; R179-S210 WeakPolarHBondContact CG-OG 3.36Å |
| 180 | L | 89.9 | Confident | 86.8 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.7 | -41.5 | 176.1 | -177.4 | 62.2 | 0 | 0 | 0 | 112.3 | F142 L145 A164 K165 I168 R176 R177 N178 V182 Y183 Q184 | F142-L180 HydrophobicContact CE1-CB 3.92Å; F142-L180 HydrophobicContact CE1-CD1 4.11Å; F142-L180 HydrophobicContact CZ-CB 4.25Å; L145-L180 HydrophobicContact CD1-CD1 4.02Å; A164-L180 HydrophobicContact CB-CD1 3.5Å; A164-L180 HydrophobicContact CB-CD2 3.77Å; A164-L180 HydrophobicContact CB-CG 4.28Å; K165-L180 HydrophobicContact CG-CD2 4.05Å; I168-L180 HydrophobicContact CD1-CB 3.72Å; I168-L180 HydrophobicContact CD1-CD2 3.41Å; I168-L180 VanDerWaalsContact CD1-CD2 3.41Å; I168-L180 HydrophobicContact CD1-CG 4.17Å; I168-L180 HydrophobicContact CG1-CD2 4.39Å; R176-L180 PolarHBondContact O-N 3.09Å; R177-L180 PolarHBondContact O-N 3.12Å; N178-L180 VanDerWaalsContact C-N 3.33Å; N178-L180 PolarHBondContact O-N 2.83Å; L180-V182 VanDerWaalsContact C-N 3.31Å; L180-V182 PolarHBondContact O-N 3.35Å; L180-Y183 PolarHBondContact O-N 2.85Å; L180-Q184 WeakPolarHBondContact O-CB 2.91Å; L180-Q184 PolarHBondContact O-N 3.39Å |
| 181 | K | 91.1 | Very high | 86.9 | Confident | 52 Ų | 52 | 38.2 Ų | 38.2 | 23% | 0.226 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.9 | -40.6 | 175.7 | -74.1 | -174.2 | 177.3 | -170.7 | 0 | 111.8 | R177 N178 R179 Q184 G185 L200 D203 T204 | R177-K181 WeakPolarHBondContact O-CG 3.08Å; R177-K181 PolarHBondContact O-N 3.22Å; R177-K181 VanDerWaalsContact O-N 3.08Å; N178-K181 WeakPolarHBondContact O-CB 3.49Å; N178-K181 PolarHBondContact O-N 2.87Å; N178-K181 VanDerWaalsContact O-N 3.11Å; R179-K181 VanDerWaalsContact C-N 3.29Å; R179-K181 PolarHBondContact O-N 3.35Å; K181-Q184 PolarHBondContact O-N 3.25Å; K181-G185 PolarHBondContact O-N 3.42Å; K181-L200 HydrophobicContact CB-CD2 4.17Å; K181-L200 HydrophobicContact CD-CD2 4.35Å; K181-L200 HydrophobicContact CG-CD2 3.93Å; K181-D203 HydrophobicContact CD-CB 4.3Å; K181-D203 IonicContact NZ-OD2 3.71Å; K181-D203 PolarHBondContact NZ-OD2 3.3Å; K181-T204 HydrophobicContact CB-CG2 3.51Å; K181-T204 HydrophobicContact CD-CG2 3.76Å; K181-T204 HydrophobicContact CG-CG2 4.29Å |
| 182 | V | 91.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.3 | -46.6 | 175.9 | 179.9 | 0 | 0 | 0 | 0 | 111 | N178 R179 L180 Q184 G185 L186 T204 F208 L213 F219 | N178-V182 WeakPolarHBondContact O-CG2 3.39Å; N178-V182 PolarHBondContact O-N 3.15Å; R179-V182 WeakPolarHBondContact O-CB 3.33Å; R179-V182 PolarHBondContact O-N 3.01Å; L180-V182 VanDerWaalsContact C-N 3.31Å; L180-V182 PolarHBondContact O-N 3.35Å; V182-Q184 PolarHBondContact O-N 3.32Å; V182-G185 PolarHBondContact O-N 2.97Å; V182-L186 HydrophobicContact CG1-CD1 4.26Å; V182-L186 PolarHBondContact O-N 3.05Å; V182-T204 HydrophobicContact CG2-CG2 4.2Å; V182-F208 HydrophobicContact CG1-CE2 4.11Å; V182-F208 HydrophobicContact CG2-CD2 4.19Å; V182-F208 HydrophobicContact CG2-CE2 4.24Å; V182-L213 HydrophobicContact CB-CD1 4.36Å; V182-L213 HydrophobicContact CG1-CD1 3.63Å; V182-F219 HydrophobicContact CG1-CD2 4.36Å; V182-F219 HydrophobicContact CG1-CE2 3.96Å; V182-F219 HydrophobicContact CG2-CE2 4.17Å; V182-F219 HydrophobicContact CG2-CZ 4.29Å |
| 183 | Y | 90.4 | Very high | 88.2 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.9 | -47 | 175.4 | -80.4 | -72 | 0 | 0 | 0 | 112.5 | F142 L145 R146 L149 R179 L180 L186 Y187 E212 L213 | F142-Y183 HydrophobicContact CB-CE2 4.37Å; F142-Y183 AromaticContact CD1-CD2 3.78Å; F142-Y183 HydrophobicContact CD1-CD2 3.78Å; F142-Y183 AromaticContact CD1-CE2 3.79Å; F142-Y183 HydrophobicContact CD1-CE2 3.79Å; F142-Y183 HydrophobicContact CE1-CD2 4.12Å; F142-Y183 HydrophobicContact CE1-CE2 4.42Å; F142-Y183 HydrophobicContact CG-CE2 4.24Å; L145-Y183 HydrophobicContact CB-CD1 4.27Å; R146-Y183 WeakPolarHBondContact CD-OH 3.01Å; R146-Y183 HydrophobicContact CG-CE1 3.5Å; R146-Y183 WeakPolarHBondContact CG-OH 3.44Å; L149-Y183 HydrophobicContact CD1-CD1 3.69Å; L149-Y183 HydrophobicContact CD1-CE1 4.16Å; R179-Y183 HydrophobicContact CB-CE2 4.48Å; R179-Y183 WeakPolarHBondContact O-CD2 3.47Å; R179-Y183 PolarHBondContact O-N 2.88Å; L180-Y183 PolarHBondContact O-N 2.85Å; Y183-L186 PolarHBondContact O-N 3.4Å; Y183-Y187 PolarHBondContact O-N 3.48Å; Y183-Y187 VanDerWaalsContact O-N 3.1Å; Y183-E212 WeakPolarHBondContact CE2-OE1 3.38Å; Y183-E212 PolarHBondContact OH-OE1 3.25Å; Y183-E212 PolarHBondContact OH-OE2 3.03Å; Y183-L213 HydrophobicContact CD1-CD1 3.93Å; Y183-L213 HydrophobicContact CD1-CD2 4.02Å; Y183-L213 HydrophobicContact CD1-CG 4.46Å; Y183-L213 HydrophobicContact CD2-CD1 4.28Å; Y183-L213 HydrophobicContact CE1-CD1 3.73Å; Y183-L213 HydrophobicContact CE1-CD2 3.41Å; Y183-L213 VanDerWaalsContact CE1-CD2 3.41Å; Y183-L213 HydrophobicContact CE1-CG 3.84Å; Y183-L213 HydrophobicContact CE2-CD1 4.05Å; Y183-L213 HydrophobicContact CG-CD1 4.19Å |
| 184 | Q | 90.3 | Very high | 88.9 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 10% | 0.103 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.2 | -41.8 | 177.9 | -173.6 | -179.5 | -14.3 | 0 | 0 | 110.9 | T161 L180 K181 V182 Y187 C188 L200 | T161-Q184 HydrophobicContact CG2-CB 4.46Å; T161-Q184 HydrophobicContact CG2-CG 4.25Å; L180-Q184 WeakPolarHBondContact O-CB 2.91Å; L180-Q184 PolarHBondContact O-N 3.39Å; K181-Q184 PolarHBondContact O-N 3.25Å; V182-Q184 PolarHBondContact O-N 3.32Å; Q184-Y187 PolarHBondContact O-N 3.14Å; Q184-C188 WeakPolarHBondContact O-CB 3.45Å; Q184-C188 PolarHBondContact O-N 3.15Å; Q184-C188 PolarHBondContact O-SG 2.99Å; Q184-L200 HydrophobicContact CB-CD1 3.98Å; Q184-L200 HydrophobicContact CG-CD1 3.7Å |
| 185 | G | 91.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | K181 V182 Y187 C188 V189 | K181-G185 PolarHBondContact O-N 3.42Å; V182-G185 PolarHBondContact O-N 2.97Å; G185-Y187 VanDerWaalsContact C-N 3.35Å; G185-Y187 PolarHBondContact O-N 3.3Å; G185-C188 WeakPolarHBondContact O-CB 3.41Å; G185-C188 PolarHBondContact O-N 3.01Å; G185-V189 WeakPolarHBondContact O-CG2 3.37Å; G185-V189 PolarHBondContact O-N 3.34Å |
| 186 | L | 89.8 | Confident | 89.8 | Confident | 13 Ų | 13 | 41 Ų | 41 | 7% | 0.068 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.1 | -46.2 | 173.4 | -90.3 | 160.3 | 0 | 0 | 0 | 112.3 | V182 Y183 V189 A190 F201 L213 M214 L287 | V182-L186 HydrophobicContact CG1-CD1 4.26Å; V182-L186 PolarHBondContact O-N 3.05Å; Y183-L186 PolarHBondContact O-N 3.4Å; L186-V189 WeakPolarHBondContact O-CB 3.43Å; L186-V189 PolarHBondContact O-N 3.45Å; L186-A190 PolarHBondContact O-N 3.28Å; L186-A190 VanDerWaalsContact O-N 3.08Å; L186-F201 HydrophobicContact CG-CZ 4.49Å; L186-L213 HydrophobicContact CD1-CB 4.32Å; L186-L213 HydrophobicContact CD1-CD1 3.62Å; L186-L213 HydrophobicContact CD1-CD2 3.89Å; L186-L213 HydrophobicContact CD1-CG 4.16Å; L186-M214 HydrophobicContact CD1-CE 3.74Å; L186-M214 HydrophobicContact CD2-CE 3.58Å; L186-M214 HydrophobicContact CG-CE 3.88Å; L186-L287 HydrophobicContact CD2-CD2 3.57Å |
| 187 | Y | 90.9 | Very high | 90.3 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 11% | 0.114 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.5 | -39.9 | 176.6 | -178.7 | -115.4 | 0 | 0 | 0 | 112.3 | S154 I157 T158 Y183 Q184 G185 V189 A190 I191 | S154-Y187 WeakPolarHBondContact CB-OH 3.25Å; I157-Y187 HydrophobicContact CB-CD2 4.05Å; I157-Y187 HydrophobicContact CB-CE2 4.05Å; I157-Y187 HydrophobicContact CB-CG 4.44Å; I157-Y187 HydrophobicContact CD1-CD2 3.59Å; I157-Y187 HydrophobicContact CD1-CE2 3.8Å; I157-Y187 HydrophobicContact CG1-CD2 4.42Å; I157-Y187 HydrophobicContact CG2-CD1 3.9Å; I157-Y187 HydrophobicContact CG2-CD2 3.55Å; I157-Y187 HydrophobicContact CG2-CE1 4.31Å; I157-Y187 HydrophobicContact CG2-CE2 3.99Å; I157-Y187 HydrophobicContact CG2-CG 3.5Å; I157-Y187 VanDerWaalsContact CG2-CG 3.5Å; T158-Y187 HydrophobicContact CG2-CE1 3.7Å; T158-Y187 WeakPolarHBondContact CG2-OH 3.21Å; Y183-Y187 PolarHBondContact O-N 3.48Å; Y183-Y187 VanDerWaalsContact O-N 3.1Å; Q184-Y187 PolarHBondContact O-N 3.14Å; G185-Y187 VanDerWaalsContact C-N 3.35Å; G185-Y187 PolarHBondContact O-N 3.3Å; Y187-V189 VanDerWaalsContact C-N 3.28Å; Y187-V189 PolarHBondContact O-N 3.21Å; Y187-A190 WeakPolarHBondContact O-CA 3.4Å; Y187-A190 VanDerWaalsContact O-CB 3.32Å; Y187-A190 WeakPolarHBondContact O-CB 3.41Å; Y187-A190 PolarHBondContact O-N 3.24Å; Y187-I191 HydrophobicContact CD2-CG2 4.48Å; Y187-I191 HydrophobicContact CE1-CD1 4.34Å; Y187-I191 HydrophobicContact CE1-CG2 4.17Å; Y187-I191 HydrophobicContact CE2-CG2 3.89Å; Y187-I191 PolarHBondContact O-N 3.37Å; Y187-I191 VanDerWaalsContact O-N 3.09Å |
| 188 | C | 91 | Very high | 90.6 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.02 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.6 | -39.3 | 174 | -73.2 | 0 | 0 | 0 | 0 | 111.6 | Q184 G185 I191 R192 D193 Q196 A197 | Q184-C188 WeakPolarHBondContact O-CB 3.45Å; Q184-C188 PolarHBondContact O-N 3.15Å; Q184-C188 PolarHBondContact O-SG 2.99Å; G185-C188 WeakPolarHBondContact O-CB 3.41Å; G185-C188 PolarHBondContact O-N 3.01Å; C188-I191 VanDerWaalsContact O-CG1 3.29Å; C188-I191 WeakPolarHBondContact O-CG1 3.43Å; C188-I191 PolarHBondContact O-N 2.89Å; C188-R192 PolarHBondContact O-N 3.44Å; C188-D193 HydrophobicContact CB-CB 4.39Å; C188-D193 PolarHBondContact O-N 3.04Å; C188-Q196 PolarHBondContact SG-OE1 3Å; C188-A197 HydrophobicContact CB-CB 3.81Å |
| 189 | V | 90.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.6 | -43.7 | 172.4 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | G185 L186 Y187 I191 R192 F194 A197 F201 V226 L287 F288 | G185-V189 WeakPolarHBondContact O-CG2 3.37Å; G185-V189 PolarHBondContact O-N 3.34Å; L186-V189 WeakPolarHBondContact O-CB 3.43Å; L186-V189 PolarHBondContact O-N 3.45Å; Y187-V189 VanDerWaalsContact C-N 3.28Å; Y187-V189 PolarHBondContact O-N 3.21Å; V189-I191 PolarHBondContact O-N 2.94Å; V189-R192 PolarHBondContact O-N 3Å; V189-R192 VanDerWaalsContact O-N 3.09Å; V189-F194 HydrophobicContact CG1-CE1 4.25Å; V189-A197 HydrophobicContact CG2-CB 3.73Å; V189-F201 HydrophobicContact CG2-CE2 3.72Å; V189-F201 HydrophobicContact CG2-CZ 4.1Å; V189-V226 HydrophobicContact CG2-CG2 3.8Å; V189-L287 HydrophobicContact CB-CD2 4.19Å; V189-L287 HydrophobicContact CG1-CD2 3.79Å; V189-L287 HydrophobicContact CG1-CG 3.97Å; V189-F288 HydrophobicContact CG1-CD1 4.04Å; V189-F288 HydrophobicContact CG1-CE1 3.43Å; V189-F288 VanDerWaalsContact CG1-CE1 3.43Å; V189-F288 HydrophobicContact CG1-CE2 4.2Å; V189-F288 HydrophobicContact CG1-CZ 3.53Å |
| 190 | A | 87.8 | Confident | 91.2 | Very high | 16 Ų | 16 | 38.2 Ų | 38.2 | 13% | 0.132 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.6 | -29.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | M152 L186 Y187 L287 H291 | M152-A190 HydrophobicContact CE-CB 3.78Å; L186-A190 PolarHBondContact O-N 3.28Å; L186-A190 VanDerWaalsContact O-N 3.08Å; Y187-A190 WeakPolarHBondContact O-CA 3.4Å; Y187-A190 VanDerWaalsContact O-CB 3.32Å; Y187-A190 WeakPolarHBondContact O-CB 3.41Å; Y187-A190 PolarHBondContact O-N 3.24Å; A190-L287 HydrophobicContact CB-CD1 3.79Å; A190-H291 PolarHBondContact O-NE2 2.86Å |
| 191 | I | 89.1 | Confident | 91.3 | Very high | 82 Ų | 82 | 37.9 Ų | 37.9 | 42% | 0.421 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 4.6 | 177.9 | 66.1 | 173.4 | 0 | 0 | 0 | 113.7 | Y187 C188 V189 D193 | Y187-I191 HydrophobicContact CD2-CG2 4.48Å; Y187-I191 HydrophobicContact CE1-CD1 4.34Å; Y187-I191 HydrophobicContact CE1-CG2 4.17Å; Y187-I191 HydrophobicContact CE2-CG2 3.89Å; Y187-I191 PolarHBondContact O-N 3.37Å; Y187-I191 VanDerWaalsContact O-N 3.09Å; C188-I191 VanDerWaalsContact O-CG1 3.29Å; C188-I191 WeakPolarHBondContact O-CG1 3.43Å; C188-I191 PolarHBondContact O-N 2.89Å; V189-I191 PolarHBondContact O-N 2.94Å; I191-D193 HydrophobicContact CD1-CB 4.37Å; I191-D193 HydrophobicContact CG1-CB 4.23Å |
| 192 | R | 88.9 | Confident | 91.3 | Very high | 127 Ų | 127 | 36.5 Ų | 36.5 | 48% | 0.479 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 18.6 | -175.7 | -49.8 | 176.9 | -175.9 | 166 | 3 | 116.1 | C188 V189 F194 H291 | C188-R192 PolarHBondContact O-N 3.44Å; V189-R192 PolarHBondContact O-N 3Å; V189-R192 VanDerWaalsContact O-N 3.09Å; R192-F194 VanDerWaalsContact C-N 3.32Å; R192-F194 HydrophobicContact CB-CE2 4.04Å; R192-F194 WeakPolarHBondContact O-CD2 3.18Å; R192-F194 PolarHBondContact O-N 3.44Å; R192-F194 VanDerWaalsContact O-N 3.12Å; R192-H291 HydrophobicContact CG-CB 4.47Å; R192-H291 PolarHBondContact NE-CE1 3.47Å; R192-H291 PolarHBondContact NE-ND1 3.45Å; R192-H291 PolarHBondContact NH2-ND1 3.24Å |
| 193 | D | 91.1 | Very high | 91.2 | Very high | 60 Ų | 60 | 40.3 Ų | 40.3 | 32% | 0.321 | 19% | 0.19 | S | C | . | . | trans | -85.8 | 77.1 | 170.1 | -163.3 | -18.4 | 0 | 0 | 0 | 111 | C188 I191 K195 Q196 A197 | C188-D193 HydrophobicContact CB-CB 4.39Å; C188-D193 PolarHBondContact O-N 3.04Å; I191-D193 HydrophobicContact CD1-CB 4.37Å; I191-D193 HydrophobicContact CG1-CB 4.23Å; D193-K195 PolarHBondContact O-N 3.45Å; D193-K195 PolarHBondContact OD1-N 3.35Å; D193-Q196 PolarHBondContact OD1-N 3.28Å; D193-Q196 VanDerWaalsContact OD1-N 3.15Å; D193-A197 VanDerWaalsContact O-CB 3.31Å; D193-A197 WeakPolarHBondContact O-CB 3.27Å; D193-A197 PolarHBondContact O-N 3.4Å; D193-A197 VanDerWaalsContact O-N 3.15Å | ||
| 194 | F | 91.7 | Very high | 91.2 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.9 | -23.8 | 179.3 | -62 | -69.3 | 0 | 0 | 0 | 113 | V189 R192 A198 V226 I229 A230 F288 Y294 | V189-F194 HydrophobicContact CG1-CE1 4.25Å; R192-F194 VanDerWaalsContact C-N 3.32Å; R192-F194 HydrophobicContact CB-CE2 4.04Å; R192-F194 WeakPolarHBondContact O-CD2 3.18Å; R192-F194 PolarHBondContact O-N 3.44Å; R192-F194 VanDerWaalsContact O-N 3.12Å; F194-A198 WeakPolarHBondContact O-CB 3.33Å; F194-A198 PolarHBondContact O-N 2.9Å; F194-V226 HydrophobicContact CB-CG1 4.14Å; F194-V226 HydrophobicContact CD1-CG1 4.15Å; F194-V226 HydrophobicContact CD1-CG2 4.08Å; F194-V226 WeakPolarHBondContact O-CG1 3.25Å; F194-I229 HydrophobicContact CB-CG2 4.21Å; F194-I229 HydrophobicContact CD2-CG2 4.44Å; F194-I229 HydrophobicContact CG-CG2 4.45Å; F194-A230 WeakPolarHBondContact O-CB 3.27Å; F194-F288 HydrophobicContact CE1-CE1 4.21Å; F194-Y294 HydrophobicContact CD2-CD1 4.45Å; F194-Y294 AromaticContact CD2-CE1 3.81Å; F194-Y294 HydrophobicContact CD2-CE1 3.81Å; F194-Y294 AromaticContact CE2-CD1 3.66Å; F194-Y294 HydrophobicContact CE2-CD1 3.66Å; F194-Y294 AromaticContact CE2-CE1 3.46Å; F194-Y294 HydrophobicContact CE2-CE1 3.46Å; F194-Y294 VanDerWaalsContact CE2-CE1 3.46Å; F194-Y294 HydrophobicContact CZ-CD1 4.47Å |
| 195 | K | 92.5 | Very high | 91.1 | Very high | 159 Ų | 159 | 39.3 Ų | 39.3 | 69% | 0.691 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -70.6 | -51.9 | -178.3 | -70 | -175.9 | 179.8 | -179.1 | 0 | 110.8 | D193 A197 A198 E199 A230 | D193-K195 PolarHBondContact O-N 3.45Å; D193-K195 PolarHBondContact OD1-N 3.35Å; K195-A197 VanDerWaalsContact C-N 3.32Å; K195-A198 PolarHBondContact O-N 2.92Å; K195-E199 PolarHBondContact O-N 3.49Å; K195-A230 HydrophobicContact CG-CB 4.46Å |
| 196 | Q | 92.8 | Very high | 90.7 | Very high | 75 Ų | 75 | 42.7 Ų | 42.7 | 35% | 0.35 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.1 | -39 | 176.9 | -169.9 | 173.2 | 24.1 | 0 | 0 | 111.1 | C188 D193 A198 E199 L200 | C188-Q196 PolarHBondContact SG-OE1 3Å; D193-Q196 PolarHBondContact OD1-N 3.28Å; D193-Q196 VanDerWaalsContact OD1-N 3.15Å; Q196-A198 PolarHBondContact O-N 2.9Å; Q196-E199 PolarHBondContact O-N 3.34Å; Q196-L200 HydrophobicContact CG-CD1 4.02Å; Q196-L200 HydrophobicContact CG-CG 4.46Å; Q196-L200 VanDerWaalsContact O-CG 3.32Å; Q196-L200 WeakPolarHBondContact O-CG 3.44Å; Q196-L200 PolarHBondContact O-N 2.97Å; Q196-L200 VanDerWaalsContact O-N 3.1Å |
| 197 | A | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C188 V189 D193 K195 E199 L200 F201 V226 | C188-A197 HydrophobicContact CB-CB 3.81Å; V189-A197 HydrophobicContact CG2-CB 3.73Å; D193-A197 VanDerWaalsContact O-CB 3.31Å; D193-A197 WeakPolarHBondContact O-CB 3.27Å; D193-A197 PolarHBondContact O-N 3.4Å; D193-A197 VanDerWaalsContact O-N 3.15Å; K195-A197 VanDerWaalsContact C-N 3.32Å; A197-E199 PolarHBondContact O-N 2.91Å; A197-L200 PolarHBondContact O-N 3.08Å; A197-F201 HydrophobicContact CB-CE2 4.32Å; A197-F201 WeakPolarHBondContact O-CB 3.4Å; A197-F201 WeakPolarHBondContact O-CD2 3.47Å; A197-F201 VanDerWaalsContact O-CG 3.27Å; A197-F201 WeakPolarHBondContact O-CG 3.37Å; A197-F201 PolarHBondContact O-N 3.13Å; A197-V226 HydrophobicContact CB-CG1 3.72Å |
| 198 | A | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F194 K195 Q196 L202 V226 A230 | F194-A198 WeakPolarHBondContact O-CB 3.33Å; F194-A198 PolarHBondContact O-N 2.9Å; K195-A198 PolarHBondContact O-N 2.92Å; Q196-A198 PolarHBondContact O-N 2.9Å; A198-L202 WeakPolarHBondContact O-CB 3.37Å; A198-L202 WeakPolarHBondContact O-CD1 3.36Å; A198-L202 VanDerWaalsContact O-CG 3.24Å; A198-L202 WeakPolarHBondContact O-CG 3.47Å; A198-L202 PolarHBondContact O-N 3.16Å; A198-V226 HydrophobicContact CB-CG1 3.92Å; A198-A230 HydrophobicContact CB-CB 3.39Å |
| 199 | E | 93.7 | Very high | 89.6 | Confident | 125 Ų | 125 | 44.1 Ų | 44.1 | 58% | 0.584 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.8 | -48.1 | 179.1 | -173.5 | 173 | -170.7 | 0 | 0 | 111.1 | K195 Q196 A197 F201 L202 D203 | K195-E199 PolarHBondContact O-N 3.49Å; Q196-E199 PolarHBondContact O-N 3.34Å; A197-E199 PolarHBondContact O-N 2.91Å; E199-F201 PolarHBondContact O-N 3.47Å; E199-L202 PolarHBondContact O-N 2.88Å; E199-D203 PolarHBondContact O-N 2.82Å |
| 200 | L | 93.5 | Very high | 88.9 | Confident | 20 Ų | 20 | 44.2 Ų | 44.2 | 11% | 0.105 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 178.7 | -67.7 | 172.2 | 0 | 0 | 0 | 112.6 | K181 Q184 Q196 A197 T204 | K181-L200 HydrophobicContact CB-CD2 4.17Å; K181-L200 HydrophobicContact CD-CD2 4.35Å; K181-L200 HydrophobicContact CG-CD2 3.93Å; Q184-L200 HydrophobicContact CB-CD1 3.98Å; Q184-L200 HydrophobicContact CG-CD1 3.7Å; Q196-L200 HydrophobicContact CG-CD1 4.02Å; Q196-L200 HydrophobicContact CG-CG 4.46Å; Q196-L200 VanDerWaalsContact O-CG 3.32Å; Q196-L200 WeakPolarHBondContact O-CG 3.44Å; Q196-L200 PolarHBondContact O-N 2.97Å; Q196-L200 VanDerWaalsContact O-N 3.1Å; A197-L200 PolarHBondContact O-N 3.08Å; L200-T204 WeakPolarHBondContact O-CG2 3.03Å; L200-T204 PolarHBondContact O-OG1 3.1Å |
| 201 | F | 92.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.2 | -45.2 | 179 | -70.2 | -26.3 | 0 | 0 | 0 | 112.1 | L186 V189 A197 E199 D203 T204 V205 F219 T223 V226 | L186-F201 HydrophobicContact CG-CZ 4.49Å; V189-F201 HydrophobicContact CG2-CE2 3.72Å; V189-F201 HydrophobicContact CG2-CZ 4.1Å; A197-F201 HydrophobicContact CB-CE2 4.32Å; A197-F201 WeakPolarHBondContact O-CB 3.4Å; A197-F201 WeakPolarHBondContact O-CD2 3.47Å; A197-F201 VanDerWaalsContact O-CG 3.27Å; A197-F201 WeakPolarHBondContact O-CG 3.37Å; A197-F201 PolarHBondContact O-N 3.13Å; E199-F201 PolarHBondContact O-N 3.47Å; F201-D203 VanDerWaalsContact C-N 3.28Å; F201-D203 PolarHBondContact O-N 3.16Å; F201-T204 WeakPolarHBondContact CA-OG1 3.34Å; F201-T204 PolarHBondContact O-N 2.97Å; F201-T204 PolarHBondContact O-OG1 2.87Å; F201-V205 WeakPolarHBondContact O-CG2 3.37Å; F201-V205 PolarHBondContact O-N 3.4Å; F201-V205 VanDerWaalsContact O-N 3.09Å; F201-F219 HydrophobicContact CB-CZ 4.17Å; F201-F219 AromaticContact CD1-CE2 3.5Å; F201-F219 HydrophobicContact CD1-CE2 3.5Å; F201-F219 AromaticContact CD1-CZ 3.82Å; F201-F219 HydrophobicContact CD1-CZ 3.82Å; F201-F219 AromaticContact CE1-CE2 3.82Å; F201-F219 HydrophobicContact CE1-CE2 3.82Å; F201-F219 HydrophobicContact CG-CE2 4.14Å; F201-F219 HydrophobicContact CG-CZ 4.24Å; F201-T223 HydrophobicContact CB-CG2 3.89Å; F201-V226 HydrophobicContact CD2-CB 4.45Å; F201-V226 HydrophobicContact CD2-CG2 4.41Å; F201-V226 HydrophobicContact CE2-CG2 4.21Å |
| 202 | L | 91 | Very high | 87.7 | Confident | 23 Ų | 23 | 41 Ų | 41 | 12% | 0.12 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.6 | -37.4 | 179.3 | -74.5 | 170 | 0 | 0 | 0 | 113.3 | A198 E199 T204 T223 C227 L231 K239 V240 I246 | A198-L202 WeakPolarHBondContact O-CB 3.37Å; A198-L202 WeakPolarHBondContact O-CD1 3.36Å; A198-L202 VanDerWaalsContact O-CG 3.24Å; A198-L202 WeakPolarHBondContact O-CG 3.47Å; A198-L202 PolarHBondContact O-N 3.16Å; E199-L202 PolarHBondContact O-N 2.88Å; L202-T204 PolarHBondContact O-N 3.11Å; L202-T223 HydrophobicContact CD2-CG2 4.03Å; L202-T223 HydrophobicContact CG-CG2 4.39Å; L202-C227 VanDerWaalsContact CD1-SG 3.53Å; L202-C227 WeakPolarHBondContact CG-SG 3.31Å; L202-L231 HydrophobicContact CD1-CD1 3.58Å; L202-L231 HydrophobicContact CD1-CG 4.47Å; L202-K239 HydrophobicContact CD1-CB 4.26Å; L202-K239 HydrophobicContact CD1-CD 3.96Å; L202-K239 HydrophobicContact CD2-CB 4.46Å; L202-V240 HydrophobicContact CD2-CG2 3.92Å; L202-I246 HydrophobicContact CD2-CD1 4.24Å |
| 203 | D | 89.8 | Confident | 87.2 | Confident | 81 Ų | 81 | 35.7 Ų | 35.7 | 43% | 0.433 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.1 | -22.4 | 175.9 | -80.1 | 4.8 | 0 | 0 | 0 | 113.5 | K181 E199 F201 | K181-D203 HydrophobicContact CD-CB 4.3Å; K181-D203 IonicContact NZ-OD2 3.71Å; K181-D203 PolarHBondContact NZ-OD2 3.3Å; E199-D203 PolarHBondContact O-N 2.82Å; F201-D203 VanDerWaalsContact C-N 3.28Å; F201-D203 PolarHBondContact O-N 3.16Å |
| 204 | T | 89.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -108.2 | -9.9 | -171.2 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | N178 K181 V182 L200 F201 L202 S206 T207 F208 F219 | N178-T204 HydrophobicContact CB-CG2 4.2Å; K181-T204 HydrophobicContact CB-CG2 3.51Å; K181-T204 HydrophobicContact CD-CG2 3.76Å; K181-T204 HydrophobicContact CG-CG2 4.29Å; V182-T204 HydrophobicContact CG2-CG2 4.2Å; L200-T204 WeakPolarHBondContact O-CG2 3.03Å; L200-T204 PolarHBondContact O-OG1 3.1Å; F201-T204 WeakPolarHBondContact CA-OG1 3.34Å; F201-T204 PolarHBondContact O-N 2.97Å; F201-T204 PolarHBondContact O-OG1 2.87Å; L202-T204 PolarHBondContact O-N 3.11Å; T204-S206 VanDerWaalsContact C-N 3.27Å; T204-S206 PolarHBondContact O-N 2.71Å; T204-T207 CarbonylContact O-C 3.6Å; T204-T207 PolarHBondContact O-N 3.42Å; T204-F208 PolarHBondContact O-N 3.5Å; T204-F208 VanDerWaalsContact O-N 3.16Å; T204-F219 WeakPolarHBondContact OG1-CZ 3.41Å |
| 205 | V | 88.2 | Confident | 86.4 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.024 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -53.2 | -45 | 177.5 | 174 | 0 | 0 | 0 | 0 | 111.6 | F201 T207 F219 T223 E245 I246 | F201-V205 WeakPolarHBondContact O-CG2 3.37Å; F201-V205 PolarHBondContact O-N 3.4Å; F201-V205 VanDerWaalsContact O-N 3.09Å; V205-T207 PolarHBondContact O-N 3.25Å; V205-F219 HydrophobicContact CG2-CE1 3.97Å; V205-T223 HydrophobicContact CG2-CG2 3.78Å; V205-E245 HydrophobicContact CG1-CB 4.02Å; V205-I246 HydrophobicContact CG1-CG1 3.9Å |
| 206 | S | 83.9 | Confident | 86.2 | Confident | 72 Ų | 72 | 30 Ų | 30 | 50% | 0.503 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -69 | -20.1 | -174.1 | -48.1 | 0 | 0 | 0 | 0 | 115.3 | T204 E245 | T204-S206 VanDerWaalsContact C-N 3.27Å; T204-S206 PolarHBondContact O-N 2.71Å; S206-E245 VanDerWaalsContact CA-OE1 3.22Å; S206-E245 WeakPolarHBondContact CA-OE1 3.09Å; S206-E245 WeakPolarHBondContact CA-OE2 3.26Å; S206-E245 VanDerWaalsContact CB-CD 3.47Å; S206-E245 WeakPolarHBondContact CB-OE1 3.49Å; S206-E245 WeakPolarHBondContact CB-OE2 3.49Å; S206-E245 PolarHBondContact N-OE2 3.47Å; S206-E245 PolarHBondContact OG-OE1 2.97Å; S206-E245 PolarHBondContact OG-OE2 3.18Å |
| 207 | T | 85.3 | Confident | 86 | Confident | 44 Ų | 44 | 31.5 Ų | 31.5 | 27% | 0.27 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -139.1 | 40.8 | -172.1 | 49.7 | 0 | 0 | 0 | 0 | 111.2 | W174 N178 T204 V205 T209 | W174-T207 HydrophobicContact CH2-CG2 3.34Å; W174-T207 WeakPolarHBondContact CH2-OG1 3.45Å; W174-T207 HydrophobicContact CZ3-CG2 3.63Å; N178-T207 PolarHBondContact ND2-OG1 3.27Å; T204-T207 CarbonylContact O-C 3.6Å; T204-T207 PolarHBondContact O-N 3.42Å; V205-T207 PolarHBondContact O-N 3.25Å; T207-T209 PolarHBondContact O-N 3.32Å |
| 208 | F | 82.6 | Confident | 85.8 | Confident | 10 Ų | 10 | 34 Ų | 34 | 4% | 0.044 | 18% | 0.177 | C | C | . | . | trans | -70.8 | 115.2 | 178.1 | -176.1 | -93.9 | 0 | 0 | 0 | 110.9 | V182 T204 S210 Y211 M214 Y216 F219 | V182-F208 HydrophobicContact CG1-CE2 4.11Å; V182-F208 HydrophobicContact CG2-CD2 4.19Å; V182-F208 HydrophobicContact CG2-CE2 4.24Å; T204-F208 PolarHBondContact O-N 3.5Å; T204-F208 VanDerWaalsContact O-N 3.16Å; F208-S210 WeakPolarHBondContact CZ-O 3.49Å; F208-Y211 HydrophobicContact CE1-CD1 4.41Å; F208-Y211 HydrophobicContact CE1-CE1 4.35Å; F208-M214 HydrophobicContact CZ-CG 4.08Å; F208-Y216 HydrophobicContact CB-CD2 3.82Å; F208-Y216 HydrophobicContact CB-CE2 3.88Å; F208-Y216 AromaticContact CD1-CD2 3.64Å; F208-Y216 HydrophobicContact CD1-CD2 3.64Å; F208-Y216 HydrophobicContact CD1-CG 4.38Å; F208-Y216 HydrophobicContact CE1-CD2 4.46Å; F208-Y216 AromaticContact CG-CD2 3.87Å; F208-Y216 HydrophobicContact CG-CD2 3.87Å; F208-Y216 HydrophobicContact CG-CE2 4.38Å; F208-F219 HydrophobicContact CB-CD1 4.44Å; F208-F219 HydrophobicContact CD2-CB 4.3Å; F208-F219 AromaticContact CD2-CD1 3.49Å; F208-F219 HydrophobicContact CD2-CD1 3.49Å; F208-F219 VanDerWaalsContact CD2-CD1 3.49Å; F208-F219 AromaticContact CD2-CD2 3.91Å; F208-F219 HydrophobicContact CD2-CD2 3.91Å; F208-F219 AromaticContact CD2-CE1 3.71Å; F208-F219 HydrophobicContact CD2-CE1 3.71Å; F208-F219 HydrophobicContact CD2-CE2 4.11Å; F208-F219 AromaticContact CD2-CG 3.6Å; F208-F219 HydrophobicContact CD2-CG 3.6Å; F208-F219 HydrophobicContact CD2-CZ 4.02Å; F208-F219 HydrophobicContact CE2-CB 3.9Å; F208-F219 AromaticContact CE2-CD1 3.87Å; F208-F219 HydrophobicContact CE2-CD1 3.87Å; F208-F219 AromaticContact CE2-CD2 3.51Å; F208-F219 HydrophobicContact CE2-CD2 3.51Å; F208-F219 HydrophobicContact CE2-CE1 4.31Å; F208-F219 AromaticContact CE2-CE2 3.99Å; F208-F219 HydrophobicContact CE2-CE2 3.99Å; F208-F219 AromaticContact CE2-CG 3.45Å; F208-F219 HydrophobicContact CE2-CG 3.45Å; F208-F219 VanDerWaalsContact CE2-CG 3.45Å; F208-F219 HydrophobicContact CE2-CZ 4.37Å; F208-F219 HydrophobicContact CG-CD1 4.01Å; F208-F219 HydrophobicContact CG-CE1 4.4Å; F208-F219 HydrophobicContact CG-CG 4.34Å; F208-F219 HydrophobicContact CZ-CB 4.01Å; F208-F219 HydrophobicContact CZ-CD2 4.35Å; F208-F219 HydrophobicContact CZ-CG 4.09Å | ||
| 209 | T | 79.8 | Confident | 85.6 | Confident | 20 Ų | 20 | 34 Ų | 34 | 12% | 0.123 | 18% | 0.177 | C | C | . | . | trans | -121.4 | 7.4 | 176.6 | 59.9 | 0 | 0 | 0 | 0 | 112.6 | D175 R179 T207 Y211 | D175-T209 WeakPolarHBondContact OD1-CB 3.25Å; D175-T209 WeakPolarHBondContact OD1-CG2 3.34Å; D175-T209 PolarHBondContact OD1-OG1 3.16Å; R179-T209 PolarHBondContact NE-OG1 3.08Å; T207-T209 PolarHBondContact O-N 3.32Å; T209-Y211 PolarHBondContact O-N 3.02Å; T209-Y211 VanDerWaalsContact O-N 3.16Å | ||
| 210 | S | 77.3 | Confident | 85.5 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | trans | -91.6 | 54.4 | -170.9 | -54.4 | 0 | 0 | 0 | 0 | 113.7 | R179 F208 E212 L213 | R179-S210 WeakPolarHBondContact CG-OG 3.36Å; F208-S210 WeakPolarHBondContact CZ-O 3.49Å; S210-E212 PolarHBondContact O-N 3.43Å; S210-E212 VanDerWaalsContact O-N 3.15Å; S210-L213 PolarHBondContact O-N 2.98Å | ||
| 211 | Y | 78.6 | Confident | 85.4 | Confident | 23 Ų | 23 | 28.2 Ų | 28.2 | 9% | 0.09 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -12.8 | 177.8 | -64.1 | -78.5 | 0 | 0 | 0 | 114.3 | L6 E7 F208 T209 L213 | L6-Y211 HydrophobicContact CB-CE2 3.79Å; L6-Y211 VanDerWaalsContact CB-OH 3.24Å; L6-Y211 WeakPolarHBondContact CB-OH 3.27Å; L6-Y211 WeakPolarHBondContact O-CD2 3.5Å; L6-Y211 WeakPolarHBondContact O-CE2 3.47Å; E7-Y211 HydrophobicContact CG-CD1 4.26Å; E7-Y211 HydrophobicContact CG-CE1 4.46Å; F208-Y211 HydrophobicContact CE1-CD1 4.41Å; F208-Y211 HydrophobicContact CE1-CE1 4.35Å; T209-Y211 PolarHBondContact O-N 3.02Å; T209-Y211 VanDerWaalsContact O-N 3.16Å; Y211-L213 VanDerWaalsContact C-N 3.28Å |
| 212 | E | 73.3 | Confident | 85.3 | Confident | 7 Ų | 7 | 29.1 Ų | 29.1 | 3% | 0.033 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -28.4 | 170.9 | 59.5 | 177.7 | 174.4 | 0 | 0 | 113.1 | L11 R146 Y183 S210 | L11-E212 HydrophobicContact CB-CB 4.43Å; L11-E212 WeakPolarHBondContact CB-OE2 3.37Å; L11-E212 WeakPolarHBondContact CD1-OE2 3.35Å; R146-E212 IonicContact CZ-OE2 3.76Å; R146-E212 IonicContact NE-OE2 2.7Å; R146-E212 PolarHBondContact NE-OE2 3.17Å; R146-E212 IonicContact NH1-OE2 2.69Å; R146-E212 PolarHBondContact NH1-OE2 2.95Å; R146-E212 IonicContact NH2-OE2 2.72Å; Y183-E212 WeakPolarHBondContact CE2-OE1 3.38Å; Y183-E212 PolarHBondContact OH-OE1 3.25Å; Y183-E212 PolarHBondContact OH-OE2 3.03Å; S210-E212 PolarHBondContact O-N 3.43Å; S210-E212 VanDerWaalsContact O-N 3.15Å |
| 213 | L | 77.3 | Confident | 85.4 | Confident | 16 Ų | 16 | 28 Ų | 28 | 8% | 0.084 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -52.1 | -176.5 | -76.8 | 171.3 | 0 | 0 | 0 | 111.5 | L17 L149 V182 Y183 L186 S210 Y211 | L17-L213 HydrophobicContact CD1-CD2 3.36Å; L149-L213 HydrophobicContact CD1-CD2 4.33Å; V182-L213 HydrophobicContact CB-CD1 4.36Å; V182-L213 HydrophobicContact CG1-CD1 3.63Å; Y183-L213 HydrophobicContact CD1-CD1 3.93Å; Y183-L213 HydrophobicContact CD1-CD2 4.02Å; Y183-L213 HydrophobicContact CD1-CG 4.46Å; Y183-L213 HydrophobicContact CD2-CD1 4.28Å; Y183-L213 HydrophobicContact CE1-CD1 3.73Å; Y183-L213 HydrophobicContact CE1-CD2 3.41Å; Y183-L213 VanDerWaalsContact CE1-CD2 3.41Å; Y183-L213 HydrophobicContact CE1-CG 3.84Å; Y183-L213 HydrophobicContact CE2-CD1 4.05Å; Y183-L213 HydrophobicContact CG-CD1 4.19Å; L186-L213 HydrophobicContact CD1-CB 4.32Å; L186-L213 HydrophobicContact CD1-CD1 3.62Å; L186-L213 HydrophobicContact CD1-CD2 3.89Å; L186-L213 HydrophobicContact CD1-CG 4.16Å; S210-L213 PolarHBondContact O-N 2.98Å; Y211-L213 VanDerWaalsContact C-N 3.28Å |
| 214 | M | 80.6 | Confident | 85.5 | Confident | 21 Ų | 21 | 24.1 Ų | 24.1 | 10% | 0.103 | 13% | 0.128 | C | C | . | . | trans | -160 | 161.7 | -177.1 | 66.4 | -172.4 | 78.8 | 0 | 0 | 111 | L186 F208 T218 F219 Y222 | L186-M214 HydrophobicContact CD1-CE 3.74Å; L186-M214 HydrophobicContact CD2-CE 3.58Å; L186-M214 HydrophobicContact CG-CE 3.88Å; F208-M214 HydrophobicContact CZ-CG 4.08Å; M214-T218 HydrophobicContact CB-CG2 4.39Å; M214-T218 HydrophobicContact SD-CG2 4.39Å; M214-F219 HydrophobicContact CE-CD2 4.47Å; M214-F219 HydrophobicContact CG-CB 3.92Å; M214-F219 WeakPolarHBondContact SD-CA 3.27Å; M214-F219 HydrophobicContact SD-CB 3.64Å; M214-F219 HydrophobicContact SD-CD2 3.79Å; M214-F219 HydrophobicContact SD-CG 4.24Å; M214-Y222 HydrophobicContact CE-CD2 3.86Å; M214-Y222 HydrophobicContact CE-CE2 3.91Å; M214-Y222 HydrophobicContact SD-CD2 3.57Å; M214-Y222 VanDerWaalsContact SD-CD2 3.57Å; M214-Y222 HydrophobicContact SD-CE2 3.78Å | ||
| 215 | D | 86.4 | Confident | 85.7 | Confident | 48 Ų | 48 | 24.8 Ų | 24.8 | 26% | 0.257 | 13% | 0.131 | S | C | . | . | trans | -68 | 149 | 169.6 | 179.5 | 33.4 | 0 | 0 | 0 | 110.9 | K217 T218 F219 | D215-K217 PolarHBondContact O-N 3.23Å; D215-K217 WeakPolarHBondContact OD2-CB 3.29Å; D215-T218 WeakPolarHBondContact O-CA 3.35Å; D215-T218 WeakPolarHBondContact O-CB 3.36Å; D215-T218 PolarHBondContact O-N 2.96Å; D215-F219 PolarHBondContact O-N 3.43Å | ||
| 216 | Y | 87.3 | Confident | 85.9 | Confident | 37 Ų | 37 | 24.6 Ų | 24.6 | 15% | 0.145 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.3 | -37 | -178.6 | -178.1 | -122.4 | 0 | 0 | 0 | 112.2 | F208 T218 F219 V220 V249 | F208-Y216 HydrophobicContact CB-CD2 3.82Å; F208-Y216 HydrophobicContact CB-CE2 3.88Å; F208-Y216 AromaticContact CD1-CD2 3.64Å; F208-Y216 HydrophobicContact CD1-CD2 3.64Å; F208-Y216 HydrophobicContact CD1-CG 4.38Å; F208-Y216 HydrophobicContact CE1-CD2 4.46Å; F208-Y216 AromaticContact CG-CD2 3.87Å; F208-Y216 HydrophobicContact CG-CD2 3.87Å; F208-Y216 HydrophobicContact CG-CE2 4.38Å; Y216-T218 VanDerWaalsContact C-N 3.31Å; Y216-T218 PolarHBondContact O-N 3.07Å; Y216-F219 HydrophobicContact CD2-CD1 4.5Å; Y216-F219 WeakPolarHBondContact O-CB 3.48Å; Y216-F219 PolarHBondContact O-N 2.85Å; Y216-V220 HydrophobicContact CD2-CG2 4.33Å; Y216-V220 HydrophobicContact CE1-CG2 4.26Å; Y216-V220 HydrophobicContact CE2-CG2 3.91Å; Y216-V220 WeakPolarHBondContact O-CG2 3.43Å; Y216-V220 PolarHBondContact O-N 3.24Å; Y216-V249 HydrophobicContact CD1-CG2 3.91Å; Y216-V249 HydrophobicContact CE1-CG2 3.34Å |
| 217 | K | 89.6 | Confident | 86.3 | Confident | 108 Ų | 108 | 21.2 Ų | 21.2 | 47% | 0.47 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -62.3 | -39 | 175.3 | -64.6 | 176.2 | -176.4 | 167.1 | 0 | 112.6 | D215 T221 V249 L253 | D215-K217 PolarHBondContact O-N 3.23Å; D215-K217 WeakPolarHBondContact OD2-CB 3.29Å; K217-T221 PolarHBondContact O-N 3.49Å; K217-T221 VanDerWaalsContact O-N 3.11Å; K217-T221 PolarHBondContact O-OG1 2.99Å; K217-V249 HydrophobicContact CG-CG1 4.26Å; K217-L253 HydrophobicContact CB-CD1 4.34Å |
| 218 | T | 87.9 | Confident | 86.6 | Confident | 51 Ų | 51 | 19.4 Ų | 19.4 | 31% | 0.313 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -69.5 | -41.6 | 177.4 | -53.5 | 0 | 0 | 0 | 0 | 110.1 | M214 D215 Y216 V220 T221 Y222 | M214-T218 HydrophobicContact CB-CG2 4.39Å; M214-T218 HydrophobicContact SD-CG2 4.39Å; D215-T218 WeakPolarHBondContact O-CA 3.35Å; D215-T218 WeakPolarHBondContact O-CB 3.36Å; D215-T218 PolarHBondContact O-N 2.96Å; Y216-T218 VanDerWaalsContact C-N 3.31Å; Y216-T218 PolarHBondContact O-N 3.07Å; T218-V220 PolarHBondContact O-N 3.34Å; T218-T221 WeakPolarHBondContact O-CB 3.31Å; T218-T221 PolarHBondContact O-N 3.49Å; T218-T221 VanDerWaalsContact O-N 3.16Å; T218-Y222 HydrophobicContact CG2-CD2 4.34Å; T218-Y222 HydrophobicContact CG2-CE1 4.05Å; T218-Y222 HydrophobicContact CG2-CE2 3.75Å; T218-Y222 PolarHBondContact O-N 2.88Å |
| 219 | F | 90.3 | Very high | 87 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 176 | -177.5 | -106.2 | 0 | 0 | 0 | 112.9 | V182 F201 T204 V205 F208 M214 D215 Y216 T221 Y222 T223 | V182-F219 HydrophobicContact CG1-CD2 4.36Å; V182-F219 HydrophobicContact CG1-CE2 3.96Å; V182-F219 HydrophobicContact CG2-CE2 4.17Å; V182-F219 HydrophobicContact CG2-CZ 4.29Å; F201-F219 HydrophobicContact CB-CZ 4.17Å; F201-F219 AromaticContact CD1-CE2 3.5Å; F201-F219 HydrophobicContact CD1-CE2 3.5Å; F201-F219 AromaticContact CD1-CZ 3.82Å; F201-F219 HydrophobicContact CD1-CZ 3.82Å; F201-F219 AromaticContact CE1-CE2 3.82Å; F201-F219 HydrophobicContact CE1-CE2 3.82Å; F201-F219 HydrophobicContact CG-CE2 4.14Å; F201-F219 HydrophobicContact CG-CZ 4.24Å; T204-F219 WeakPolarHBondContact OG1-CZ 3.41Å; V205-F219 HydrophobicContact CG2-CE1 3.97Å; F208-F219 HydrophobicContact CB-CD1 4.44Å; F208-F219 HydrophobicContact CD2-CB 4.3Å; F208-F219 AromaticContact CD2-CD1 3.49Å; F208-F219 HydrophobicContact CD2-CD1 3.49Å; F208-F219 VanDerWaalsContact CD2-CD1 3.49Å; F208-F219 AromaticContact CD2-CD2 3.91Å; F208-F219 HydrophobicContact CD2-CD2 3.91Å; F208-F219 AromaticContact CD2-CE1 3.71Å; F208-F219 HydrophobicContact CD2-CE1 3.71Å; F208-F219 HydrophobicContact CD2-CE2 4.11Å; F208-F219 AromaticContact CD2-CG 3.6Å; F208-F219 HydrophobicContact CD2-CG 3.6Å; F208-F219 HydrophobicContact CD2-CZ 4.02Å; F208-F219 HydrophobicContact CE2-CB 3.9Å; F208-F219 AromaticContact CE2-CD1 3.87Å; F208-F219 HydrophobicContact CE2-CD1 3.87Å; F208-F219 AromaticContact CE2-CD2 3.51Å; F208-F219 HydrophobicContact CE2-CD2 3.51Å; F208-F219 HydrophobicContact CE2-CE1 4.31Å; F208-F219 AromaticContact CE2-CE2 3.99Å; F208-F219 HydrophobicContact CE2-CE2 3.99Å; F208-F219 AromaticContact CE2-CG 3.45Å; F208-F219 HydrophobicContact CE2-CG 3.45Å; F208-F219 VanDerWaalsContact CE2-CG 3.45Å; F208-F219 HydrophobicContact CE2-CZ 4.37Å; F208-F219 HydrophobicContact CG-CD1 4.01Å; F208-F219 HydrophobicContact CG-CE1 4.4Å; F208-F219 HydrophobicContact CG-CG 4.34Å; F208-F219 HydrophobicContact CZ-CB 4.01Å; F208-F219 HydrophobicContact CZ-CD2 4.35Å; F208-F219 HydrophobicContact CZ-CG 4.09Å; M214-F219 HydrophobicContact CE-CD2 4.47Å; M214-F219 HydrophobicContact CG-CB 3.92Å; M214-F219 WeakPolarHBondContact SD-CA 3.27Å; M214-F219 HydrophobicContact SD-CB 3.64Å; M214-F219 HydrophobicContact SD-CD2 3.79Å; M214-F219 HydrophobicContact SD-CG 4.24Å; D215-F219 PolarHBondContact O-N 3.43Å; Y216-F219 HydrophobicContact CD2-CD1 4.5Å; Y216-F219 WeakPolarHBondContact O-CB 3.48Å; Y216-F219 PolarHBondContact O-N 2.85Å; F219-T221 VanDerWaalsContact C-N 3.3Å; F219-T221 PolarHBondContact O-N 3.42Å; F219-Y222 PolarHBondContact O-N 3.24Å; F219-T223 WeakPolarHBondContact O-CB 3.42Å; F219-T223 PolarHBondContact O-N 3.36Å; F219-T223 PolarHBondContact O-OG1 2.92Å |
| 220 | V | 91 | Very high | 87.6 | Confident | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 175.9 | 174.2 | 0 | 0 | 0 | 0 | 111 | Y216 T218 T223 V224 I246 V249 | Y216-V220 HydrophobicContact CD2-CG2 4.33Å; Y216-V220 HydrophobicContact CE1-CG2 4.26Å; Y216-V220 HydrophobicContact CE2-CG2 3.91Å; Y216-V220 WeakPolarHBondContact O-CG2 3.43Å; Y216-V220 PolarHBondContact O-N 3.24Å; T218-V220 PolarHBondContact O-N 3.34Å; V220-T223 PolarHBondContact O-N 3.33Å; V220-V224 HydrophobicContact CG1-CG2 4.42Å; V220-V224 WeakPolarHBondContact O-CG2 3.46Å; V220-V224 PolarHBondContact O-N 3.02Å; V220-I246 HydrophobicContact CG1-CG2 3.97Å; V220-V249 HydrophobicContact CB-CB 4.37Å; V220-V249 HydrophobicContact CB-CG1 3.94Å; V220-V249 HydrophobicContact CG1-CB 4.11Å; V220-V249 HydrophobicContact CG1-CG1 4.02Å; V220-V249 HydrophobicContact CG2-CB 4.21Å; V220-V249 HydrophobicContact CG2-CG1 4.11Å; V220-V249 HydrophobicContact CG2-CG2 4.13Å |
| 221 | T | 90.9 | Very high | 88.2 | Confident | 22 Ų | 22 | 21.6 Ų | 21.6 | 14% | 0.135 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 176.7 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | K217 T218 F219 T223 V224 Y225 L253 V256 | K217-T221 PolarHBondContact O-N 3.49Å; K217-T221 VanDerWaalsContact O-N 3.11Å; K217-T221 PolarHBondContact O-OG1 2.99Å; T218-T221 WeakPolarHBondContact O-CB 3.31Å; T218-T221 PolarHBondContact O-N 3.49Å; T218-T221 VanDerWaalsContact O-N 3.16Å; F219-T221 VanDerWaalsContact C-N 3.3Å; F219-T221 PolarHBondContact O-N 3.42Å; T221-T223 PolarHBondContact O-N 2.91Å; T221-V224 PolarHBondContact O-N 3.49Å; T221-Y225 HydrophobicContact CG2-CD2 4.19Å; T221-Y225 HydrophobicContact CG2-CE1 4.09Å; T221-Y225 HydrophobicContact CG2-CE2 3.55Å; T221-Y225 VanDerWaalsContact CG2-CZ 3.49Å; T221-Y225 PolarHBondContact O-N 3.35Å; T221-L253 WeakPolarHBondContact OG1-CD1 3.45Å; T221-V256 HydrophobicContact CG2-CG2 3.78Å |
| 222 | Y | 91.4 | Very high | 88.7 | Confident | 20 Ų | 20 | 28.1 Ų | 28.1 | 8% | 0.078 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.1 | -65.7 | -15.2 | 0 | 0 | 0 | 112.4 | M214 T218 F219 V224 Y225 V226 D285 F288 | M214-Y222 HydrophobicContact CE-CD2 3.86Å; M214-Y222 HydrophobicContact CE-CE2 3.91Å; M214-Y222 HydrophobicContact SD-CD2 3.57Å; M214-Y222 VanDerWaalsContact SD-CD2 3.57Å; M214-Y222 HydrophobicContact SD-CE2 3.78Å; T218-Y222 HydrophobicContact CG2-CD2 4.34Å; T218-Y222 HydrophobicContact CG2-CE1 4.05Å; T218-Y222 HydrophobicContact CG2-CE2 3.75Å; T218-Y222 PolarHBondContact O-N 2.88Å; F219-Y222 PolarHBondContact O-N 3.24Å; Y222-V224 VanDerWaalsContact C-N 3.34Å; Y222-V224 PolarHBondContact O-N 3.14Å; Y222-Y225 PolarHBondContact O-N 3.36Å; Y222-V226 WeakPolarHBondContact O-CB 3.41Å; Y222-V226 VanDerWaalsContact O-CG2 3.25Å; Y222-V226 WeakPolarHBondContact O-CG2 3.47Å; Y222-V226 PolarHBondContact O-N 2.87Å; Y222-D285 WeakPolarHBondContact CE1-OD2 3.15Å; Y222-D285 VanDerWaalsContact OH-CG 3.25Å; Y222-D285 PolarHBondContact OH-OD1 3.18Å; Y222-D285 PolarHBondContact OH-OD2 3.48Å; Y222-F288 HydrophobicContact CD1-CD2 4.28Å; Y222-F288 AromaticContact CD1-CE2 3.41Å; Y222-F288 HydrophobicContact CD1-CE2 3.41Å; Y222-F288 VanDerWaalsContact CD1-CE2 3.41Å; Y222-F288 HydrophobicContact CD1-CZ 4.07Å; Y222-F288 HydrophobicContact CD2-CE2 4.28Å; Y222-F288 AromaticContact CE1-CD2 3.97Å; Y222-F288 HydrophobicContact CE1-CD2 3.97Å; Y222-F288 AromaticContact CE1-CE2 3.5Å; Y222-F288 HydrophobicContact CE1-CE2 3.5Å; Y222-F288 HydrophobicContact CE2-CE2 4.37Å; Y222-F288 AromaticContact CG-CE2 3.82Å; Y222-F288 HydrophobicContact CG-CE2 3.82Å; Y222-F288 HydrophobicContact CG-CZ 4.26Å; Y222-F288 AromaticContact CZ-CE2 4Å |
| 223 | T | 92.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.1 | -48.2 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 110.4 | F201 L202 V205 F219 V220 T221 Y225 V226 C227 | F201-T223 HydrophobicContact CB-CG2 3.89Å; L202-T223 HydrophobicContact CD2-CG2 4.03Å; L202-T223 HydrophobicContact CG-CG2 4.39Å; V205-T223 HydrophobicContact CG2-CG2 3.78Å; F219-T223 WeakPolarHBondContact O-CB 3.42Å; F219-T223 PolarHBondContact O-N 3.36Å; F219-T223 PolarHBondContact O-OG1 2.92Å; V220-T223 PolarHBondContact O-N 3.33Å; T221-T223 PolarHBondContact O-N 2.91Å; T223-Y225 PolarHBondContact O-N 3.45Å; T223-V226 PolarHBondContact O-N 3.23Å; T223-C227 WeakPolarHBondContact O-CB 3.43Å; T223-C227 PolarHBondContact O-N 3.18Å; T223-C227 PolarHBondContact O-SG 3.06Å |
| 224 | V | 92.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 177.3 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | V220 T221 Y222 V226 C227 M228 V240 I246 V256 L260 | V220-V224 HydrophobicContact CG1-CG2 4.42Å; V220-V224 WeakPolarHBondContact O-CG2 3.46Å; V220-V224 PolarHBondContact O-N 3.02Å; T221-V224 PolarHBondContact O-N 3.49Å; Y222-V224 VanDerWaalsContact C-N 3.34Å; Y222-V224 PolarHBondContact O-N 3.14Å; V224-V226 PolarHBondContact O-N 2.88Å; V224-C227 PolarHBondContact O-N 3Å; V224-M228 HydrophobicContact CG1-CG 4.39Å; V224-M228 HydrophobicContact CG1-SD 3.92Å; V224-M228 VanDerWaalsContact O-CG 3.28Å; V224-M228 WeakPolarHBondContact O-CG 3.11Å; V224-M228 PolarHBondContact O-N 3.37Å; V224-V240 HydrophobicContact CG2-CG1 4.32Å; V224-I246 HydrophobicContact CG2-CG2 3.84Å; V224-V256 HydrophobicContact CB-CG1 3.96Å; V224-V256 HydrophobicContact CG1-CG1 3.75Å; V224-V256 HydrophobicContact CG2-CG1 4.25Å; V224-L260 HydrophobicContact CG1-CB 4.2Å; V224-L260 HydrophobicContact CG1-CD1 4.27Å; V224-L260 HydrophobicContact CG1-CD2 4.31Å; V224-L260 HydrophobicContact CG1-CG 4.49Å |
| 225 | Y | 92.4 | Very high | 90.3 | Very high | 14 Ų | 14 | 39.1 Ų | 39.1 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | -179.2 | -68.1 | -11.7 | 0 | 0 | 0 | 112.8 | T221 Y222 T223 V256 Y259 V278 M282 Y295 | T221-Y225 HydrophobicContact CG2-CD2 4.19Å; T221-Y225 HydrophobicContact CG2-CE1 4.09Å; T221-Y225 HydrophobicContact CG2-CE2 3.55Å; T221-Y225 VanDerWaalsContact CG2-CZ 3.49Å; T221-Y225 PolarHBondContact O-N 3.35Å; Y222-Y225 PolarHBondContact O-N 3.36Å; T223-Y225 PolarHBondContact O-N 3.45Å; Y225-V256 HydrophobicContact CE1-CG1 4.33Å; Y225-V256 HydrophobicContact CE1-CG2 4.43Å; Y225-Y259 HydrophobicContact CD1-CD1 4.25Å; Y225-Y259 HydrophobicContact CD1-CE1 4.07Å; Y225-Y259 HydrophobicContact CE1-CD1 4.08Å; Y225-Y259 HydrophobicContact CE1-CE1 4.25Å; Y225-V278 HydrophobicContact CD1-CG1 4.45Å; Y225-V278 HydrophobicContact CE1-CG1 3.88Å; Y225-V278 HydrophobicContact CE1-CG2 4.14Å; Y225-V278 HydrophobicContact CE2-CG1 4.03Å; Y225-M282 HydrophobicContact CE2-CG 4.33Å; Y225-Y295 WeakPolarHBondContact CA-OH 3.24Å; Y225-Y295 VanDerWaalsContact O-CE2 3.28Å; Y225-Y295 WeakPolarHBondContact O-CE2 3.33Å; Y225-Y295 PolarHBondContact O-OH 2.97Å |
| 226 | V | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.3 | -41.5 | -179.1 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | V189 F194 A197 A198 F201 Y222 T223 V224 M228 I229 A230 F288 | V189-V226 HydrophobicContact CG2-CG2 3.8Å; F194-V226 HydrophobicContact CB-CG1 4.14Å; F194-V226 HydrophobicContact CD1-CG1 4.15Å; F194-V226 HydrophobicContact CD1-CG2 4.08Å; F194-V226 WeakPolarHBondContact O-CG1 3.25Å; A197-V226 HydrophobicContact CB-CG1 3.72Å; A198-V226 HydrophobicContact CB-CG1 3.92Å; F201-V226 HydrophobicContact CD2-CB 4.45Å; F201-V226 HydrophobicContact CD2-CG2 4.41Å; F201-V226 HydrophobicContact CE2-CG2 4.21Å; Y222-V226 WeakPolarHBondContact O-CB 3.41Å; Y222-V226 VanDerWaalsContact O-CG2 3.25Å; Y222-V226 WeakPolarHBondContact O-CG2 3.47Å; Y222-V226 PolarHBondContact O-N 2.87Å; T223-V226 PolarHBondContact O-N 3.23Å; V224-V226 PolarHBondContact O-N 2.88Å; V226-M228 VanDerWaalsContact C-N 3.34Å; V226-M228 PolarHBondContact O-N 3.41Å; V226-I229 PolarHBondContact O-N 3.27Å; V226-A230 WeakPolarHBondContact O-CB 3.36Å; V226-A230 PolarHBondContact O-N 2.83Å; V226-F288 HydrophobicContact CG2-CE1 4.42Å; V226-F288 HydrophobicContact CG2-CZ 4.3Å |
| 227 | C | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -36.3 | 177.5 | -72.7 | 0 | 0 | 0 | 0 | 113.2 | L202 T223 V224 I229 A230 L231 L236 V240 | L202-C227 VanDerWaalsContact CD1-SG 3.53Å; L202-C227 WeakPolarHBondContact CG-SG 3.31Å; T223-C227 WeakPolarHBondContact O-CB 3.43Å; T223-C227 PolarHBondContact O-N 3.18Å; T223-C227 PolarHBondContact O-SG 3.06Å; V224-C227 PolarHBondContact O-N 3Å; C227-I229 PolarHBondContact O-N 2.96Å; C227-A230 PolarHBondContact O-N 3.2Å; C227-L231 HydrophobicContact CB-CD1 4.29Å; C227-L231 WeakPolarHBondContact O-CB 3.38Å; C227-L231 PolarHBondContact O-N 3.26Å; C227-L236 HydrophobicContact CB-CD1 4.24Å; C227-V240 HydrophobicContact CB-CG2 3.94Å |
| 228 | M | 91.2 | Very high | 90.7 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.9 | -27.6 | 178.1 | -76 | 178.3 | 71.9 | 0 | 0 | 113.4 | V224 V226 L236 Y259 L260 L263 F271 M299 | V224-M228 HydrophobicContact CG1-CG 4.39Å; V224-M228 HydrophobicContact CG1-SD 3.92Å; V224-M228 VanDerWaalsContact O-CG 3.28Å; V224-M228 WeakPolarHBondContact O-CG 3.11Å; V224-M228 PolarHBondContact O-N 3.37Å; V226-M228 VanDerWaalsContact C-N 3.34Å; V226-M228 PolarHBondContact O-N 3.41Å; M228-L236 HydrophobicContact CG-CD1 4.48Å; M228-Y259 HydrophobicContact CE-CD1 3.7Å; M228-Y259 HydrophobicContact CE-CD2 4.39Å; M228-Y259 HydrophobicContact CE-CE1 3.37Å; M228-Y259 HydrophobicContact CE-CE2 4.1Å; M228-Y259 HydrophobicContact CE-CG 4.2Å; M228-Y259 HydrophobicContact SD-CD1 3.47Å; M228-Y259 WeakPolarHBondContact SD-CD1 3.37Å; M228-Y259 HydrophobicContact SD-CE1 3.26Å; M228-Y259 WeakPolarHBondContact SD-CE1 3.44Å; M228-Y259 HydrophobicContact SD-CG 4.44Å; M228-L260 HydrophobicContact CG-CD1 3.84Å; M228-L260 HydrophobicContact SD-CB 4.32Å; M228-L260 HydrophobicContact SD-CD1 3.89Å; M228-L263 HydrophobicContact CE-CB 4.17Å; M228-L263 HydrophobicContact CE-CD2 3.66Å; M228-F271 HydrophobicContact CE-CE2 4.12Å; M228-M299 HydrophobicContact CB-CE 4.16Å; M228-M299 HydrophobicContact CB-SD 4.16Å; M228-M299 HydrophobicContact CE-CE 3.83Å |
| 229 | I | 91.8 | Very high | 90.7 | Very high | 18 Ų | 18 | 45.9 Ų | 45.9 | 9% | 0.092 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -86.3 | -43.5 | 174.3 | -70.1 | -170.9 | 0 | 0 | 0 | 111.5 | F194 V226 C227 Y295 E298 M299 | F194-I229 HydrophobicContact CB-CG2 4.21Å; F194-I229 HydrophobicContact CD2-CG2 4.44Å; F194-I229 HydrophobicContact CG-CG2 4.45Å; V226-I229 PolarHBondContact O-N 3.27Å; C227-I229 PolarHBondContact O-N 2.96Å; I229-Y295 HydrophobicContact CD1-CD2 3.07Å; I229-Y295 HydrophobicContact CD1-CE2 3.22Å; I229-Y295 HydrophobicContact CD1-CG 3.75Å; I229-Y295 HydrophobicContact CG1-CD2 4.08Å; I229-Y295 HydrophobicContact CG1-CE2 3.71Å; I229-E298 HydrophobicContact CD1-CB 4.44Å; I229-M299 HydrophobicContact CD1-CG 4.33Å; I229-M299 HydrophobicContact CD1-SD 4.34Å; I229-M299 HydrophobicContact CG1-CG 4.1Å; I229-M299 HydrophobicContact CG1-SD 3.47Å; I229-M299 WeakPolarHBondContact CG1-SD 3.27Å |
| 230 | A | 91.9 | Very high | 90.7 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 20% | 0.198 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -78.8 | -41 | -169 | 0 | 0 | 0 | 0 | 0 | 113.7 | F194 K195 A198 V226 C227 | F194-A230 WeakPolarHBondContact O-CB 3.27Å; K195-A230 HydrophobicContact CG-CB 4.46Å; A198-A230 HydrophobicContact CB-CB 3.39Å; V226-A230 WeakPolarHBondContact O-CB 3.36Å; V226-A230 PolarHBondContact O-N 2.83Å; C227-A230 PolarHBondContact O-N 3.2Å |
| 231 | L | 90.1 | Very high | 90.6 | Very high | 36 Ų | 36 | 46.6 Ų | 46.6 | 19% | 0.188 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -89.7 | 148.6 | -170.6 | -65.5 | -173.3 | 0 | 0 | 0 | 112.5 | L202 C227 D235 L236 K239 V240 | L202-L231 HydrophobicContact CD1-CD1 3.58Å; L202-L231 HydrophobicContact CD1-CG 4.47Å; C227-L231 HydrophobicContact CB-CD1 4.29Å; C227-L231 WeakPolarHBondContact O-CB 3.38Å; C227-L231 PolarHBondContact O-N 3.26Å; L231-D235 HydrophobicContact CB-CB 4.31Å; L231-D235 HydrophobicContact CD1-CB 4.36Å; L231-D235 HydrophobicContact CD2-CB 4.32Å; L231-L236 HydrophobicContact CB-CB 4.4Å; L231-K239 HydrophobicContact CD1-CD 4.49Å; L231-V240 HydrophobicContact CD1-CG2 4.48Å |
| 232 | K | 88.4 | Confident | 90.5 | Very high | 161 Ų | 161 | 52 Ų | 52 | 70% | 0.7 | 24% | 0.242 | S | C | * | . | trans | -78.7 | 161.9 | 169.4 | -64.7 | -178.7 | -178.2 | 178.1 | 0 | 110.1 | D235 L236 | K232-D235 PolarHBondContact O-N 3.45Å; K232-D235 VanDerWaalsContact O-N 3.16Å; K232-L236 WeakPolarHBondContact O-CB 3.34Å; K232-L236 PolarHBondContact O-N 3.1Å | ||
| 233 | R | 86.4 | Confident | 90.3 | Very high | 115 Ų | 115 | 52 Ų | 52 | 43% | 0.434 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -53.7 | -42 | -175.6 | -165.9 | 176.7 | -178.2 | -151.6 | 4.1 | 115 | R237 Y264 | R233-R237 PolarHBondContact O-N 3.15Å; R233-R237 VanDerWaalsContact O-N 3.13Å; R233-Y264 HydrophobicContact CG-CD2 4.34Å; R233-Y264 HydrophobicContact CG-CE2 4.27Å; R233-Y264 PolarHBondContact NH2-O 3.32Å |
| 234 | P | 89.3 | Confident | 90 | Very high | 93 Ų | 93 | 55.7 Ų | 55.7 | 60% | 0.604 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.3 | -47.3 | 176.9 | -21.7 | 34.8 | 0 | 0 | 0 | 112.3 | L236 R237 E238 | P234-L236 VanDerWaalsContact C-N 3.33Å; P234-L236 PolarHBondContact O-N 3.27Å; P234-R237 WeakPolarHBondContact O-CB 3.5Å; P234-R237 PolarHBondContact O-N 3.37Å; P234-R237 VanDerWaalsContact O-N 3.15Å; P234-E238 PolarHBondContact O-N 3.23Å; P234-E238 VanDerWaalsContact O-N 3.11Å |
| 235 | D | 90.3 | Very high | 89.6 | Confident | 66 Ų | 66 | 59 Ų | 59 | 35% | 0.353 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | -179 | -51.7 | -31.3 | 0 | 0 | 0 | 111.1 | L231 K232 R237 E238 K239 | L231-D235 HydrophobicContact CB-CB 4.31Å; L231-D235 HydrophobicContact CD1-CB 4.36Å; L231-D235 HydrophobicContact CD2-CB 4.32Å; K232-D235 PolarHBondContact O-N 3.45Å; K232-D235 VanDerWaalsContact O-N 3.16Å; D235-R237 VanDerWaalsContact C-N 3.31Å; D235-R237 PolarHBondContact O-N 3.15Å; D235-E238 PolarHBondContact O-N 3.37Å; D235-K239 WeakPolarHBondContact O-CB 3.24Å; D235-K239 PolarHBondContact O-N 3.4Å |
| 236 | L | 90.3 | Very high | 89.3 | Confident | 11 Ų | 11 | 58.6 Ų | 58.6 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 175.4 | -171.2 | 71.7 | 0 | 0 | 0 | 111.6 | C227 M228 L231 K232 P234 V240 I241 L260 | C227-L236 HydrophobicContact CB-CD1 4.24Å; M228-L236 HydrophobicContact CG-CD1 4.48Å; L231-L236 HydrophobicContact CB-CB 4.4Å; K232-L236 WeakPolarHBondContact O-CB 3.34Å; K232-L236 PolarHBondContact O-N 3.1Å; P234-L236 VanDerWaalsContact C-N 3.33Å; P234-L236 PolarHBondContact O-N 3.27Å; L236-V240 HydrophobicContact CD1-CB 3.96Å; L236-V240 HydrophobicContact CD1-CG1 4.46Å; L236-V240 HydrophobicContact CD1-CG2 3.75Å; L236-V240 WeakPolarHBondContact O-CB 3.34Å; L236-V240 PolarHBondContact O-N 2.89Å; L236-V240 VanDerWaalsContact O-N 3.07Å; L236-I241 PolarHBondContact O-N 2.93Å; L236-I241 VanDerWaalsContact O-N 3.08Å; L236-L260 HydrophobicContact CD1-CD1 4.33Å; L236-L260 HydrophobicContact CD2-CD1 4.2Å; L236-L260 HydrophobicContact CG-CD1 4.43Å |
| 237 | R | 90.2 | Very high | 89.1 | Confident | 125 Ų | 125 | 61 Ų | 61 | 47% | 0.472 | 31% | 0.305 | S | S | . | . | I | π-helix | trans | -63.5 | -47.8 | 176.7 | -173.4 | -168.3 | -174 | 162.5 | -2.8 | 111.3 | R233 P234 D235 K242 Y264 | R233-R237 PolarHBondContact O-N 3.15Å; R233-R237 VanDerWaalsContact O-N 3.13Å; P234-R237 WeakPolarHBondContact O-CB 3.5Å; P234-R237 PolarHBondContact O-N 3.37Å; P234-R237 VanDerWaalsContact O-N 3.15Å; D235-R237 VanDerWaalsContact C-N 3.31Å; D235-R237 PolarHBondContact O-N 3.15Å; R237-K242 WeakPolarHBondContact O-CG 3.37Å; R237-K242 PolarHBondContact O-N 3.29Å; R237-Y264 HydrophobicContact CB-CE2 3.82Å; R237-Y264 WeakPolarHBondContact CD-OH 3.36Å; R237-Y264 HydrophobicContact CG-CE2 3.97Å; R237-Y264 WeakPolarHBondContact CG-OH 3.5Å; R237-Y264 PolarHBondContact NE-OH 3.46Å; R237-Y264 VanDerWaalsContact NE-OH 3.1Å; R237-Y264 PolarHBondContact NH1-OH 3.37Å |
| 238 | E | 90.9 | Very high | 88.9 | Confident | 141 Ų | 141 | 67.6 Ų | 67.6 | 66% | 0.659 | 34% | 0.336 | S | S | * | . | I | π-helix | trans | -73.7 | -48.9 | -173.9 | -172 | 171.5 | -172 | 0 | 0 | 111.9 | P234 D235 | P234-E238 PolarHBondContact O-N 3.23Å; P234-E238 VanDerWaalsContact O-N 3.11Å; D235-E238 PolarHBondContact O-N 3.37Å |
| 239 | K | 88.6 | Confident | 88.7 | Confident | 109 Ų | 109 | 68 Ų | 68 | 47% | 0.474 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -82.2 | -37.9 | -173.4 | -61.8 | -170.6 | 177.4 | -170.6 | 0 | 113.6 | L202 L231 D235 | L202-K239 HydrophobicContact CD1-CB 4.26Å; L202-K239 HydrophobicContact CD1-CD 3.96Å; L202-K239 HydrophobicContact CD2-CB 4.46Å; L231-K239 HydrophobicContact CD1-CD 4.49Å; D235-K239 WeakPolarHBondContact O-CB 3.24Å; D235-K239 PolarHBondContact O-N 3.4Å |
| 240 | V | 88.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -102.1 | -55.9 | -172.7 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | L202 V224 C227 L231 L236 K242 G243 I246 L260 | L202-V240 HydrophobicContact CD2-CG2 3.92Å; V224-V240 HydrophobicContact CG2-CG1 4.32Å; C227-V240 HydrophobicContact CB-CG2 3.94Å; L231-V240 HydrophobicContact CD1-CG2 4.48Å; L236-V240 HydrophobicContact CD1-CB 3.96Å; L236-V240 HydrophobicContact CD1-CG1 4.46Å; L236-V240 HydrophobicContact CD1-CG2 3.75Å; L236-V240 WeakPolarHBondContact O-CB 3.34Å; L236-V240 PolarHBondContact O-N 2.89Å; L236-V240 VanDerWaalsContact O-N 3.07Å; V240-K242 PolarHBondContact O-N 3.39Å; V240-G243 PolarHBondContact O-N 3.25Å; V240-I246 HydrophobicContact CB-CD1 4.42Å; V240-I246 HydrophobicContact CG1-CD1 4.13Å; V240-I246 HydrophobicContact CG1-CG2 4.13Å; V240-I246 HydrophobicContact CG2-CD1 4.47Å; V240-L260 HydrophobicContact CG1-CD1 4.35Å; V240-L260 HydrophobicContact CG1-CD2 3.73Å |
| 241 | I | 89.4 | Confident | 88.2 | Confident | 18 Ų | 18 | 72.2 Ų | 72.2 | 9% | 0.092 | 35% | 0.353 | C | S | . | . | I | π-helix | trans | -71.4 | -34.9 | -172.1 | -60.5 | 176.6 | 0 | 0 | 0 | 112 | L236 L247 L260 F261 Y264 | L236-I241 PolarHBondContact O-N 2.93Å; L236-I241 VanDerWaalsContact O-N 3.08Å; I241-L247 WeakPolarHBondContact O-CD1 3.4Å; I241-L247 WeakPolarHBondContact O-CD2 3.36Å; I241-L247 WeakPolarHBondContact O-CG 3.37Å; I241-L260 HydrophobicContact CG1-CD2 4.29Å; I241-L260 HydrophobicContact CG1-CG 4.43Å; I241-F261 HydrophobicContact CG2-CE1 3.77Å; I241-F261 HydrophobicContact CG2-CZ 4.17Å; I241-Y264 HydrophobicContact CD1-CD1 3.72Å; I241-Y264 HydrophobicContact CD1-CD2 3.28Å; I241-Y264 HydrophobicContact CD1-CE1 4.24Å; I241-Y264 HydrophobicContact CD1-CE2 3.86Å; I241-Y264 HydrophobicContact CD1-CG 3.21Å |
| 242 | K | 89 | Confident | 88.1 | Confident | 136 Ų | 136 | 73.5 Ų | 73.5 | 59% | 0.591 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -90.4 | -6.3 | 175.6 | -71.6 | -177.2 | 175.9 | -174.4 | 0 | 113.6 | R237 V240 A244 | R237-K242 WeakPolarHBondContact O-CG 3.37Å; R237-K242 PolarHBondContact O-N 3.29Å; V240-K242 PolarHBondContact O-N 3.39Å; K242-A244 PolarHBondContact O-N 3.48Å |
| 243 | G | 87.1 | Confident | 88.1 | Confident | 19 Ų | 19 | 68 Ų | 68 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | trans | -69.1 | 119.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V240 E245 L247 | V240-G243 PolarHBondContact O-N 3.25Å; G243-E245 PolarHBondContact O-N 3Å; G243-L247 WeakPolarHBondContact O-CB 3.44Å; G243-L247 VanDerWaalsContact O-CG 3.31Å; G243-L247 WeakPolarHBondContact O-CG 3.48Å; G243-L247 PolarHBondContact O-N 3.3Å; G243-L247 VanDerWaalsContact O-N 3.08Å | ||
| 244 | A | 85.3 | Confident | 88.2 | Confident | 77 Ų | 77 | 67 Ų | 67 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K242 L247 E248 | K242-A244 PolarHBondContact O-N 3.48Å; A244-L247 PolarHBondContact O-N 3.14Å; A244-E248 PolarHBondContact O-N 2.89Å |
| 245 | E | 85.5 | Confident | 88.2 | Confident | 69 Ų | 69 | 64.9 Ų | 64.9 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | -177.3 | -65.5 | 158.3 | 179.3 | 0 | 0 | 112.2 | V205 S206 G243 V249 | V205-E245 HydrophobicContact CG1-CB 4.02Å; S206-E245 VanDerWaalsContact CA-OE1 3.22Å; S206-E245 WeakPolarHBondContact CA-OE1 3.09Å; S206-E245 WeakPolarHBondContact CA-OE2 3.26Å; S206-E245 VanDerWaalsContact CB-CD 3.47Å; S206-E245 WeakPolarHBondContact CB-OE1 3.49Å; S206-E245 WeakPolarHBondContact CB-OE2 3.49Å; S206-E245 PolarHBondContact N-OE2 3.47Å; S206-E245 PolarHBondContact OG-OE1 2.97Å; S206-E245 PolarHBondContact OG-OE2 3.18Å; G243-E245 PolarHBondContact O-N 3Å; E245-V249 PolarHBondContact O-N 3.43Å |
| 246 | I | 86.6 | Confident | 88.1 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.3 | -43.3 | 178.3 | -55.6 | 176.6 | 0 | 0 | 0 | 108.9 | L202 V205 V220 V224 V240 E248 V249 L250 | L202-I246 HydrophobicContact CD2-CD1 4.24Å; V205-I246 HydrophobicContact CG1-CG1 3.9Å; V220-I246 HydrophobicContact CG1-CG2 3.97Å; V224-I246 HydrophobicContact CG2-CG2 3.84Å; V240-I246 HydrophobicContact CB-CD1 4.42Å; V240-I246 HydrophobicContact CG1-CD1 4.13Å; V240-I246 HydrophobicContact CG1-CG2 4.13Å; V240-I246 HydrophobicContact CG2-CD1 4.47Å; I246-E248 PolarHBondContact O-N 3.4Å; I246-V249 PolarHBondContact O-N 3.33Å; I246-L250 HydrophobicContact CG2-CD1 3.56Å; I246-L250 HydrophobicContact CG2-CG 4.08Å; I246-L250 VanDerWaalsContact O-CB 3.26Å; I246-L250 WeakPolarHBondContact O-CB 3.46Å; I246-L250 WeakPolarHBondContact O-CD1 3.41Å; I246-L250 WeakPolarHBondContact O-CG 3.37Å; I246-L250 PolarHBondContact O-N 2.84Å |
| 247 | L | 87.6 | Confident | 88.2 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 27% | 0.267 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 177.3 | -76.4 | 175.1 | 0 | 0 | 0 | 112.5 | I241 G243 A244 V249 L250 H251 F261 | I241-L247 WeakPolarHBondContact O-CD1 3.4Å; I241-L247 WeakPolarHBondContact O-CD2 3.36Å; I241-L247 WeakPolarHBondContact O-CG 3.37Å; G243-L247 WeakPolarHBondContact O-CB 3.44Å; G243-L247 VanDerWaalsContact O-CG 3.31Å; G243-L247 WeakPolarHBondContact O-CG 3.48Å; G243-L247 PolarHBondContact O-N 3.3Å; G243-L247 VanDerWaalsContact O-N 3.08Å; A244-L247 PolarHBondContact O-N 3.14Å; L247-V249 PolarHBondContact O-N 3.42Å; L247-L250 HydrophobicContact CD2-CD1 4.46Å; L247-L250 WeakPolarHBondContact O-CB 3.42Å; L247-L250 PolarHBondContact O-N 3.03Å; L247-H251 PolarHBondContact O-CD2 3.43Å; L247-H251 PolarHBondContact O-N 3.3Å; L247-H251 VanDerWaalsContact O-N 3.16Å; L247-F261 HydrophobicContact CD2-CE2 4.31Å; L247-F261 HydrophobicContact CD2-CZ 3.89Å |
| 248 | E | 87.8 | Confident | 88.4 | Confident | 139 Ų | 139 | 65.3 Ų | 65.3 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57.2 | -48.2 | 178.6 | -174.2 | 175.2 | -177.9 | 0 | 0 | 111.4 | A244 I246 H251 | A244-E248 PolarHBondContact O-N 2.89Å; I246-E248 PolarHBondContact O-N 3.4Å; E248-H251 WeakPolarHBondContact O-CB 3.48Å; E248-H251 PolarHBondContact O-N 2.91Å |
| 249 | V | 87.9 | Confident | 88.5 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 9% | 0.085 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.3 | -36.7 | 178.8 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | Y216 K217 V220 E245 I246 L247 H251 S252 L253 | Y216-V249 HydrophobicContact CD1-CG2 3.91Å; Y216-V249 HydrophobicContact CE1-CG2 3.34Å; K217-V249 HydrophobicContact CG-CG1 4.26Å; V220-V249 HydrophobicContact CB-CB 4.37Å; V220-V249 HydrophobicContact CB-CG1 3.94Å; V220-V249 HydrophobicContact CG1-CB 4.11Å; V220-V249 HydrophobicContact CG1-CG1 4.02Å; V220-V249 HydrophobicContact CG2-CB 4.21Å; V220-V249 HydrophobicContact CG2-CG1 4.11Å; V220-V249 HydrophobicContact CG2-CG2 4.13Å; E245-V249 PolarHBondContact O-N 3.43Å; I246-V249 PolarHBondContact O-N 3.33Å; L247-V249 PolarHBondContact O-N 3.42Å; V249-H251 PolarHBondContact O-N 2.91Å; V249-S252 PolarHBondContact O-N 3.46Å; V249-S252 PolarHBondContact O-OG 2.95Å; V249-L253 HydrophobicContact CG1-CD1 4.34Å; V249-L253 PolarHBondContact O-N 3.42Å |
| 250 | L | 86.8 | Confident | 88.6 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.7 | -23.3 | 176 | -77.8 | 164.6 | 0 | 0 | 0 | 113 | I246 L247 S252 L253 V256 R257 L260 | I246-L250 HydrophobicContact CG2-CD1 3.56Å; I246-L250 HydrophobicContact CG2-CG 4.08Å; I246-L250 VanDerWaalsContact O-CB 3.26Å; I246-L250 WeakPolarHBondContact O-CB 3.46Å; I246-L250 WeakPolarHBondContact O-CD1 3.41Å; I246-L250 WeakPolarHBondContact O-CG 3.37Å; I246-L250 PolarHBondContact O-N 2.84Å; L247-L250 HydrophobicContact CD2-CD1 4.46Å; L247-L250 WeakPolarHBondContact O-CB 3.42Å; L247-L250 PolarHBondContact O-N 3.03Å; L250-S252 VanDerWaalsContact C-N 3.28Å; L250-S252 PolarHBondContact O-N 2.99Å; L250-L253 CarbonylContact O-C 3.58Å; L250-L253 PolarHBondContact O-N 3.43Å; L250-V256 HydrophobicContact CD2-CB 4.02Å; L250-V256 HydrophobicContact CD2-CG1 3.75Å; L250-R257 HydrophobicContact CB-CB 4.31Å; L250-R257 HydrophobicContact CD2-CB 4.09Å; L250-L260 HydrophobicContact CD1-CD2 4.02Å |
| 251 | H | 85.9 | Confident | 88.8 | Confident | 127 Ų | 127 | 55 Ų | 55 | 59% | 0.588 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.6 | -33.4 | 172.3 | -79.4 | -79.6 | 0 | 0 | 0 | 112.6 | L247 E248 V249 R257 | L247-H251 PolarHBondContact O-CD2 3.43Å; L247-H251 PolarHBondContact O-N 3.3Å; L247-H251 VanDerWaalsContact O-N 3.16Å; E248-H251 WeakPolarHBondContact O-CB 3.48Å; E248-H251 PolarHBondContact O-N 2.91Å; V249-H251 PolarHBondContact O-N 2.91Å; H251-R257 PolarHBondContact ND1-NH1 3.15Å |
| 252 | S | 88.1 | Confident | 89 | Confident | 63 Ų | 63 | 54.1 Ų | 54.1 | 44% | 0.441 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -80.5 | -19 | 177 | 72.9 | 0 | 0 | 0 | 0 | 113.6 | V249 L250 P254 | V249-S252 PolarHBondContact O-N 3.46Å; V249-S252 PolarHBondContact O-OG 2.95Å; L250-S252 VanDerWaalsContact C-N 3.28Å; L250-S252 PolarHBondContact O-N 2.99Å; S252-P254 WeakPolarHBondContact O-CD 3.31Å |
| 253 | L | 88.7 | Confident | 89.1 | Confident | 46 Ų | 46 | 48.2 Ų | 48.2 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | trans | -118.5 | 81.1 | -175.9 | -63.5 | 178.1 | 0 | 0 | 0 | 111.6 | K217 T221 V249 L250 A255 V256 R257 | K217-L253 HydrophobicContact CB-CD1 4.34Å; T221-L253 WeakPolarHBondContact OG1-CD1 3.45Å; V249-L253 HydrophobicContact CG1-CD1 4.34Å; V249-L253 PolarHBondContact O-N 3.42Å; L250-L253 CarbonylContact O-C 3.58Å; L250-L253 PolarHBondContact O-N 3.43Å; L253-A255 VanDerWaalsContact C-N 3.29Å; L253-A255 PolarHBondContact O-N 3.32Å; L253-V256 HydrophobicContact CB-CB 4.41Å; L253-V256 HydrophobicContact CB-CG2 4.29Å; L253-V256 PolarHBondContact O-N 3.35Å; L253-R257 PolarHBondContact O-N 3.24Å; L253-R257 VanDerWaalsContact O-N 3.16Å | ||
| 254 | P | 88.1 | Confident | 89.3 | Confident | 93 Ų | 93 | 49.5 Ų | 49.5 | 60% | 0.604 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.1 | -31.9 | -174.6 | 24.2 | -33.8 | 0 | 0 | 0 | 113.4 | S252 R257 Q258 | S252-P254 WeakPolarHBondContact O-CD 3.31Å; P254-R257 PolarHBondContact O-N 3.44Å; P254-Q258 VanDerWaalsContact O-CB 3.31Å; P254-Q258 WeakPolarHBondContact O-CB 3.34Å; P254-Q258 PolarHBondContact O-N 3.23Å |
| 255 | A | 89.3 | Confident | 89.6 | Confident | 50 Ų | 50 | 50.4 Ų | 50.4 | 41% | 0.413 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L253 Q258 Y259 | L253-A255 VanDerWaalsContact C-N 3.29Å; L253-A255 PolarHBondContact O-N 3.32Å; A255-Q258 PolarHBondContact O-N 2.82Å; A255-Y259 WeakPolarHBondContact O-CB 3.46Å; A255-Y259 PolarHBondContact O-N 2.88Å |
| 256 | V | 89.6 | Confident | 89.9 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 179 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | T221 V224 Y225 L250 L253 Y259 L260 | T221-V256 HydrophobicContact CG2-CG2 3.78Å; V224-V256 HydrophobicContact CB-CG1 3.96Å; V224-V256 HydrophobicContact CG1-CG1 3.75Å; V224-V256 HydrophobicContact CG2-CG1 4.25Å; Y225-V256 HydrophobicContact CE1-CG1 4.33Å; Y225-V256 HydrophobicContact CE1-CG2 4.43Å; L250-V256 HydrophobicContact CD2-CB 4.02Å; L250-V256 HydrophobicContact CD2-CG1 3.75Å; L253-V256 HydrophobicContact CB-CB 4.41Å; L253-V256 HydrophobicContact CB-CG2 4.29Å; L253-V256 PolarHBondContact O-N 3.35Å; V256-Y259 PolarHBondContact O-N 3.44Å; V256-L260 WeakPolarHBondContact O-CB 3.43Å; V256-L260 PolarHBondContact O-N 3.08Å |
| 257 | R | 91.7 | Very high | 90.3 | Very high | 103 Ų | 103 | 55.4 Ų | 55.4 | 39% | 0.389 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.9 | -51.8 | 174.7 | -174.5 | 179.1 | 174.3 | -178.5 | -1.8 | 111.8 | L250 H251 L253 P254 Y259 L260 F261 | L250-R257 HydrophobicContact CB-CB 4.31Å; L250-R257 HydrophobicContact CD2-CB 4.09Å; H251-R257 PolarHBondContact ND1-NH1 3.15Å; L253-R257 PolarHBondContact O-N 3.24Å; L253-R257 VanDerWaalsContact O-N 3.16Å; P254-R257 PolarHBondContact O-N 3.44Å; R257-Y259 VanDerWaalsContact C-N 3.27Å; R257-Y259 PolarHBondContact O-N 2.94Å; R257-L260 PolarHBondContact O-N 3.29Å; R257-F261 HydrophobicContact CG-CD2 3.53Å; R257-F261 HydrophobicContact CG-CE2 3.73Å; R257-F261 WeakPolarHBondContact O-CB 3.48Å; R257-F261 VanDerWaalsContact O-CD2 3.3Å; R257-F261 WeakPolarHBondContact O-CD2 3.33Å; R257-F261 PolarHBondContact O-N 3.11Å |
| 258 | Q | 93.1 | Very high | 90.5 | Very high | 100 Ų | 100 | 53.4 Ų | 53.4 | 47% | 0.467 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 179.1 | -173.8 | 171.6 | 2.1 | 0 | 0 | 111.4 | P254 A255 S262 V270 | P254-Q258 VanDerWaalsContact O-CB 3.31Å; P254-Q258 WeakPolarHBondContact O-CB 3.34Å; P254-Q258 PolarHBondContact O-N 3.23Å; A255-Q258 PolarHBondContact O-N 2.82Å; Q258-S262 WeakPolarHBondContact O-CB 3.31Å; Q258-S262 PolarHBondContact O-N 2.96Å; Q258-S262 PolarHBondContact O-OG 3.07Å; Q258-V270 HydrophobicContact CG-CG1 3.72Å |
| 259 | Y | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62 | -47.6 | 176.3 | 179.6 | -120.4 | 0 | 0 | 0 | 113.1 | Y225 M228 A255 V256 R257 S262 F271 L275 V278 Y295 M299 | Y225-Y259 HydrophobicContact CD1-CD1 4.25Å; Y225-Y259 HydrophobicContact CD1-CE1 4.07Å; Y225-Y259 HydrophobicContact CE1-CD1 4.08Å; Y225-Y259 HydrophobicContact CE1-CE1 4.25Å; M228-Y259 HydrophobicContact CE-CD1 3.7Å; M228-Y259 HydrophobicContact CE-CD2 4.39Å; M228-Y259 HydrophobicContact CE-CE1 3.37Å; M228-Y259 HydrophobicContact CE-CE2 4.1Å; M228-Y259 HydrophobicContact CE-CG 4.2Å; M228-Y259 HydrophobicContact SD-CD1 3.47Å; M228-Y259 WeakPolarHBondContact SD-CD1 3.37Å; M228-Y259 HydrophobicContact SD-CE1 3.26Å; M228-Y259 WeakPolarHBondContact SD-CE1 3.44Å; M228-Y259 HydrophobicContact SD-CG 4.44Å; A255-Y259 WeakPolarHBondContact O-CB 3.46Å; A255-Y259 PolarHBondContact O-N 2.88Å; V256-Y259 PolarHBondContact O-N 3.44Å; R257-Y259 VanDerWaalsContact C-N 3.27Å; R257-Y259 PolarHBondContact O-N 2.94Å; Y259-S262 PolarHBondContact O-OG 3.04Å; Y259-F271 AromaticContact CD2-CD2 3.97Å; Y259-F271 HydrophobicContact CD2-CD2 3.97Å; Y259-F271 AromaticContact CD2-CE2 3.82Å; Y259-F271 HydrophobicContact CD2-CE2 3.82Å; Y259-F271 AromaticContact CE2-CD2 3.86Å; Y259-F271 HydrophobicContact CE2-CD2 3.86Å; Y259-F271 AromaticContact CE2-CE2 3.26Å; Y259-F271 HydrophobicContact CE2-CE2 3.26Å; Y259-F271 AromaticContact CE2-CZ 3.96Å; Y259-F271 HydrophobicContact CE2-CZ 3.96Å; Y259-F271 AromaticContact CZ-CE2 3.95Å; Y259-L275 HydrophobicContact CE2-CB 4.12Å; Y259-L275 HydrophobicContact CE2-CD1 3.89Å; Y259-V278 HydrophobicContact CD1-CG2 4.21Å; Y259-V278 HydrophobicContact CD2-CG2 4.33Å; Y259-V278 HydrophobicContact CG-CG2 4.08Å; Y259-Y295 WeakPolarHBondContact OH-CE1 3.26Å; Y259-Y295 PolarHBondContact OH-OH 3.25Å; Y259-M299 WeakPolarHBondContact OH-CE 3.32Å; Y259-M299 WeakPolarHBondContact OH-CG 3.49Å |
| 260 | L | 92.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.9 | -50.5 | 179.5 | 177.7 | 64.8 | 0 | 0 | 0 | 112.5 | V224 M228 L236 V240 I241 L250 V256 R257 Y264 | V224-L260 HydrophobicContact CG1-CB 4.2Å; V224-L260 HydrophobicContact CG1-CD1 4.27Å; V224-L260 HydrophobicContact CG1-CD2 4.31Å; V224-L260 HydrophobicContact CG1-CG 4.49Å; M228-L260 HydrophobicContact CG-CD1 3.84Å; M228-L260 HydrophobicContact SD-CB 4.32Å; M228-L260 HydrophobicContact SD-CD1 3.89Å; L236-L260 HydrophobicContact CD1-CD1 4.33Å; L236-L260 HydrophobicContact CD2-CD1 4.2Å; L236-L260 HydrophobicContact CG-CD1 4.43Å; V240-L260 HydrophobicContact CG1-CD1 4.35Å; V240-L260 HydrophobicContact CG1-CD2 3.73Å; I241-L260 HydrophobicContact CG1-CD2 4.29Å; I241-L260 HydrophobicContact CG1-CG 4.43Å; L250-L260 HydrophobicContact CD1-CD2 4.02Å; V256-L260 WeakPolarHBondContact O-CB 3.43Å; V256-L260 PolarHBondContact O-N 3.08Å; R257-L260 PolarHBondContact O-N 3.29Å; L260-Y264 PolarHBondContact O-N 3.48Å |
| 261 | F | 92.2 | Very high | 91.5 | Very high | 34 Ų | 34 | 49.8 Ų | 49.8 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.4 | -34.3 | -175.6 | -80 | -78.1 | 0 | 0 | 0 | 112.4 | I241 L247 R257 L263 Y264 E265 | I241-F261 HydrophobicContact CG2-CE1 3.77Å; I241-F261 HydrophobicContact CG2-CZ 4.17Å; L247-F261 HydrophobicContact CD2-CE2 4.31Å; L247-F261 HydrophobicContact CD2-CZ 3.89Å; R257-F261 HydrophobicContact CG-CD2 3.53Å; R257-F261 HydrophobicContact CG-CE2 3.73Å; R257-F261 WeakPolarHBondContact O-CB 3.48Å; R257-F261 VanDerWaalsContact O-CD2 3.3Å; R257-F261 WeakPolarHBondContact O-CD2 3.33Å; R257-F261 PolarHBondContact O-N 3.11Å; F261-L263 VanDerWaalsContact C-N 3.33Å; F261-L263 PolarHBondContact O-N 3.29Å; F261-Y264 PolarHBondContact O-N 3.08Å; F261-E265 VanDerWaalsContact O-CB 3.31Å; F261-E265 WeakPolarHBondContact O-CB 3.44Å; F261-E265 WeakPolarHBondContact O-CG 3.45Å; F261-E265 PolarHBondContact O-N 3.45Å |
| 262 | S | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.8 | -40.1 | 177.9 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | Q258 Y259 C266 R267 F271 | Q258-S262 WeakPolarHBondContact O-CB 3.31Å; Q258-S262 PolarHBondContact O-N 2.96Å; Q258-S262 PolarHBondContact O-OG 3.07Å; Y259-S262 PolarHBondContact O-OG 3.04Å; S262-C266 PolarHBondContact O-N 3.45Å; S262-R267 PolarHBondContact O-N 3.29Å; S262-F271 WeakPolarHBondContact OG-CA 3.36Å |
| 263 | L | 91.3 | Very high | 92.1 | Very high | 11 Ų | 11 | 48.6 Ų | 48.6 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.2 | -43.2 | 175.2 | -175.4 | 62.9 | 0 | 0 | 0 | 111.9 | M228 F261 C266 F271 M299 A303 Q306 | M228-L263 HydrophobicContact CE-CB 4.17Å; M228-L263 HydrophobicContact CE-CD2 3.66Å; F261-L263 VanDerWaalsContact C-N 3.33Å; F261-L263 PolarHBondContact O-N 3.29Å; L263-C266 PolarHBondContact O-N 2.96Å; L263-F271 HydrophobicContact CB-CD2 3.84Å; L263-F271 HydrophobicContact CB-CE2 3.94Å; L263-F271 HydrophobicContact CD1-CD2 4.32Å; L263-F271 HydrophobicContact CD1-CE1 4.39Å; L263-F271 HydrophobicContact CD1-CE2 4.1Å; L263-F271 HydrophobicContact CD1-CZ 4.16Å; L263-F271 HydrophobicContact CD2-CE2 4.21Å; L263-F271 HydrophobicContact CG-CE2 4.31Å; L263-M299 HydrophobicContact CD2-CE 3.68Å; L263-A303 HydrophobicContact CD1-CB 4.18Å; L263-Q306 PolarHBondContact O-NE2 3.01Å |
| 264 | Y | 91.2 | Very high | 92.3 | Very high | 46 Ų | 46 | 46.9 Ų | 46.9 | 18% | 0.18 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.7 | -41.1 | -176.3 | -176.9 | -99.3 | 0 | 0 | 0 | 113.2 | R233 R237 I241 L260 F261 C266 | R233-Y264 HydrophobicContact CG-CD2 4.34Å; R233-Y264 HydrophobicContact CG-CE2 4.27Å; R233-Y264 PolarHBondContact NH2-O 3.32Å; R237-Y264 HydrophobicContact CB-CE2 3.82Å; R237-Y264 WeakPolarHBondContact CD-OH 3.36Å; R237-Y264 HydrophobicContact CG-CE2 3.97Å; R237-Y264 WeakPolarHBondContact CG-OH 3.5Å; R237-Y264 PolarHBondContact NE-OH 3.46Å; R237-Y264 VanDerWaalsContact NE-OH 3.1Å; R237-Y264 PolarHBondContact NH1-OH 3.37Å; I241-Y264 HydrophobicContact CD1-CD1 3.72Å; I241-Y264 HydrophobicContact CD1-CD2 3.28Å; I241-Y264 HydrophobicContact CD1-CE1 4.24Å; I241-Y264 HydrophobicContact CD1-CE2 3.86Å; I241-Y264 HydrophobicContact CD1-CG 3.21Å; L260-Y264 PolarHBondContact O-N 3.48Å; F261-Y264 PolarHBondContact O-N 3.08Å; Y264-C266 PolarHBondContact O-N 2.89Å |
| 265 | E | 92.3 | Very high | 92.6 | Very high | 97 Ų | 97 | 42.7 Ų | 42.7 | 45% | 0.453 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 1.9 | 178.2 | -65.1 | 173.3 | -178.4 | 0 | 0 | 113.4 | F261 R267 | F261-E265 VanDerWaalsContact O-CB 3.31Å; F261-E265 WeakPolarHBondContact O-CB 3.44Å; F261-E265 WeakPolarHBondContact O-CG 3.45Å; F261-E265 PolarHBondContact O-N 3.45Å; E265-R267 VanDerWaalsContact C-N 3.3Å; E265-R267 HydrophobicContact CB-CG 4.43Å; E265-R267 PolarHBondContact O-N 3.43Å; E265-R267 IonicContact OE2-CZ 3.55Å; E265-R267 IonicContact OE2-NE 3.07Å; E265-R267 PolarHBondContact OE2-NE 3.2Å; E265-R267 IonicContact OE2-NH2 3.99Å; E265-R267 PolarHBondContact OE2-NH2 3.48Å |
| 266 | C | 91.7 | Very high | 92.8 | Very high | 50 Ų | 50 | 42.8 Ų | 42.8 | 34% | 0.338 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 30.3 | -178.5 | -53.3 | 0 | 0 | 0 | 0 | 114.3 | S262 L263 Y264 Y268 Q306 | S262-C266 PolarHBondContact O-N 3.45Å; L263-C266 PolarHBondContact O-N 2.96Å; Y264-C266 PolarHBondContact O-N 2.89Å; C266-Y268 HydrophobicContact CB-CE2 3.89Å; C266-Y268 WeakPolarHBondContact O-CD2 3.11Å; C266-Y268 WeakPolarHBondContact O-CE2 3.34Å; C266-Y268 PolarHBondContact O-N 2.86Å; C266-Q306 PolarHBondContact SG-NE2 2.86Å |
| 267 | R | 94 | Very high | 92.9 | Very high | 129 Ų | 129 | 46 Ų | 46 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | trans | -90.9 | 76 | 174.3 | -67.7 | -169.1 | -73.5 | 158.5 | -2.1 | 110.6 | S262 E265 S269 V270 F271 | S262-R267 PolarHBondContact O-N 3.29Å; E265-R267 VanDerWaalsContact C-N 3.3Å; E265-R267 HydrophobicContact CB-CG 4.43Å; E265-R267 PolarHBondContact O-N 3.43Å; E265-R267 IonicContact OE2-CZ 3.55Å; E265-R267 IonicContact OE2-NE 3.07Å; E265-R267 PolarHBondContact OE2-NE 3.2Å; E265-R267 IonicContact OE2-NH2 3.99Å; E265-R267 PolarHBondContact OE2-NH2 3.48Å; R267-S269 PolarHBondContact O-N 2.7Å; R267-V270 PolarHBondContact O-N 3.31Å; R267-F271 PolarHBondContact O-N 3.08Å; R267-F271 VanDerWaalsContact O-N 3.16Å | ||
| 268 | Y | 93.3 | Very high | 92.9 | Very high | 10 Ų | 10 | 41.3 Ų | 41.3 | 4% | 0.039 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.9 | -32.5 | -167.6 | -59.8 | -70.4 | 0 | 0 | 0 | 115.4 | C266 V270 F271 F272 A303 L307 A322 F323 | C266-Y268 HydrophobicContact CB-CE2 3.89Å; C266-Y268 WeakPolarHBondContact O-CD2 3.11Å; C266-Y268 WeakPolarHBondContact O-CE2 3.34Å; C266-Y268 PolarHBondContact O-N 2.86Å; Y268-V270 VanDerWaalsContact C-N 3.34Å; Y268-V270 PolarHBondContact O-N 3.49Å; Y268-F271 WeakPolarHBondContact O-CB 3.12Å; Y268-F271 PolarHBondContact O-N 3.44Å; Y268-F272 PolarHBondContact O-N 3.09Å; Y268-A303 HydrophobicContact CD1-CB 4.32Å; Y268-A303 HydrophobicContact CE1-CB 4.42Å; Y268-L307 HydrophobicContact CE2-CB 4.2Å; Y268-L307 HydrophobicContact CE2-CD1 3.88Å; Y268-L307 HydrophobicContact CE2-CG 4.49Å; Y268-A322 WeakPolarHBondContact CB-O 3.38Å; Y268-F323 HydrophobicContact CD1-CD1 4.47Å; Y268-F323 AromaticContact CD1-CE1 3.66Å; Y268-F323 HydrophobicContact CD1-CE1 3.66Å; Y268-F323 AromaticContact CD1-CZ 3.81Å; Y268-F323 HydrophobicContact CD1-CZ 3.81Å; Y268-F323 HydrophobicContact CD2-CZ 4.4Å; Y268-F323 HydrophobicContact CE1-CZ 4.29Å; Y268-F323 HydrophobicContact CG-CD1 4.2Å; Y268-F323 AromaticContact CG-CE1 3.76Å; Y268-F323 HydrophobicContact CG-CE1 3.76Å; Y268-F323 HydrophobicContact CG-CE2 4.42Å; Y268-F323 AromaticContact CG-CZ 3.86Å; Y268-F323 HydrophobicContact CG-CZ 3.86Å |
| 269 | S | 93.1 | Very high | 92.8 | Very high | 46 Ų | 46 | 38.7 Ų | 38.7 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 177.6 | -17.7 | 0 | 0 | 0 | 0 | 111.6 | R267 F271 F272 Q273 A322 F323 | R267-S269 PolarHBondContact O-N 2.7Å; S269-F271 VanDerWaalsContact C-N 3.33Å; S269-F272 PolarHBondContact O-N 3.14Å; S269-Q273 PolarHBondContact O-N 2.66Å; S269-A322 PolarHBondContact N-O 2.88Å; S269-A322 VanDerWaalsContact N-O 3.11Å; S269-A322 PolarHBondContact OG-O 2.95Å; S269-F323 WeakPolarHBondContact CA-O 3.49Å |
| 270 | V | 94.9 | Very high | 92.6 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 21% | 0.206 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.6 | -36.2 | 176.4 | -178.9 | 0 | 0 | 0 | 0 | 111 | Q258 R267 Y268 F272 Q273 S274 | Q258-V270 HydrophobicContact CG-CG1 3.72Å; R267-V270 PolarHBondContact O-N 3.31Å; Y268-V270 VanDerWaalsContact C-N 3.34Å; Y268-V270 PolarHBondContact O-N 3.49Å; V270-F272 PolarHBondContact O-N 3.22Å; V270-Q273 PolarHBondContact O-N 3.1Å; V270-S274 WeakPolarHBondContact O-CB 3.44Å; V270-S274 PolarHBondContact O-N 3.35Å; V270-S274 PolarHBondContact O-OG 3.02Å |
| 271 | F | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 176.5 | 174.8 | -106.2 | 0 | 0 | 0 | 111.7 | M228 Y259 S262 L263 R267 Y268 S269 S274 L275 M299 A303 | M228-F271 HydrophobicContact CE-CE2 4.12Å; Y259-F271 AromaticContact CD2-CD2 3.97Å; Y259-F271 HydrophobicContact CD2-CD2 3.97Å; Y259-F271 AromaticContact CD2-CE2 3.82Å; Y259-F271 HydrophobicContact CD2-CE2 3.82Å; Y259-F271 AromaticContact CE2-CD2 3.86Å; Y259-F271 HydrophobicContact CE2-CD2 3.86Å; Y259-F271 AromaticContact CE2-CE2 3.26Å; Y259-F271 HydrophobicContact CE2-CE2 3.26Å; Y259-F271 AromaticContact CE2-CZ 3.96Å; Y259-F271 HydrophobicContact CE2-CZ 3.96Å; Y259-F271 AromaticContact CZ-CE2 3.95Å; S262-F271 WeakPolarHBondContact OG-CA 3.36Å; L263-F271 HydrophobicContact CB-CD2 3.84Å; L263-F271 HydrophobicContact CB-CE2 3.94Å; L263-F271 HydrophobicContact CD1-CD2 4.32Å; L263-F271 HydrophobicContact CD1-CE1 4.39Å; L263-F271 HydrophobicContact CD1-CE2 4.1Å; L263-F271 HydrophobicContact CD1-CZ 4.16Å; L263-F271 HydrophobicContact CD2-CE2 4.21Å; L263-F271 HydrophobicContact CG-CE2 4.31Å; R267-F271 PolarHBondContact O-N 3.08Å; R267-F271 VanDerWaalsContact O-N 3.16Å; Y268-F271 WeakPolarHBondContact O-CB 3.12Å; Y268-F271 PolarHBondContact O-N 3.44Å; S269-F271 VanDerWaalsContact C-N 3.33Å; F271-S274 PolarHBondContact O-N 3.46Å; F271-L275 HydrophobicContact CE1-CD2 4.25Å; F271-L275 HydrophobicContact CZ-CD2 4.45Å; F271-L275 VanDerWaalsContact O-CB 3.24Å; F271-L275 WeakPolarHBondContact O-CB 3.32Å; F271-L275 PolarHBondContact O-N 2.82Å; F271-M299 HydrophobicContact CE2-CE 3.95Å; F271-M299 HydrophobicContact CZ-CB 4.29Å; F271-M299 HydrophobicContact CZ-CE 3.65Å; F271-A303 HydrophobicContact CD1-CB 4.06Å; F271-A303 HydrophobicContact CE1-CB 3.66Å |
| 272 | F | 93.3 | Very high | 92.2 | Very high | 31 Ų | 31 | 45.3 Ų | 45.3 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.7 | -40.2 | 178.5 | -90.4 | 32.6 | 0 | 0 | 0 | 112.8 | Y268 S269 V270 L275 A276 R300 Y304 F323 V325 F329 | Y268-F272 PolarHBondContact O-N 3.09Å; S269-F272 PolarHBondContact O-N 3.14Å; V270-F272 PolarHBondContact O-N 3.22Å; F272-L275 PolarHBondContact O-N 3.33Å; F272-A276 PolarHBondContact O-N 3.41Å; F272-A276 VanDerWaalsContact O-N 3.1Å; F272-R300 HydrophobicContact CZ-CG 4.47Å; F272-Y304 HydrophobicContact CZ-CE1 4.19Å; F272-Y304 AromaticContact CZ-CZ 3.91Å; F272-Y304 WeakPolarHBondContact CZ-OH 3.06Å; F272-F323 AromaticContact CD1-CD1 3.91Å; F272-F323 HydrophobicContact CD1-CD1 3.91Å; F272-F323 HydrophobicContact CD1-CE1 4.4Å; F272-F323 AromaticContact CE1-CD1 3.41Å; F272-F323 HydrophobicContact CE1-CD1 3.41Å; F272-F323 VanDerWaalsContact CE1-CD1 3.41Å; F272-F323 AromaticContact CE1-CE1 3.66Å; F272-F323 HydrophobicContact CE1-CE1 3.66Å; F272-F323 HydrophobicContact CE2-CD1 4.08Å; F272-F323 HydrophobicContact CG-CD1 4.47Å; F272-F323 AromaticContact CZ-CD1 3.51Å; F272-F323 HydrophobicContact CZ-CD1 3.51Å; F272-F323 AromaticContact CZ-CE1 3.97Å; F272-F323 HydrophobicContact CZ-CE1 3.97Å; F272-F323 HydrophobicContact CZ-CG 4.38Å; F272-V325 HydrophobicContact CD2-CG1 3.9Å; F272-V325 HydrophobicContact CE2-CG1 4.2Å; F272-F329 HydrophobicContact CE2-CE1 4.27Å |
| 273 | Q | 93.1 | Very high | 91.9 | Very high | 133 Ų | 133 | 49.7 Ų | 49.7 | 62% | 0.621 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 174.2 | -67 | 174.8 | 3.6 | 0 | 0 | 111.3 | S269 V270 A276 T277 | S269-Q273 PolarHBondContact O-N 2.66Å; V270-Q273 PolarHBondContact O-N 3.1Å; Q273-A276 PolarHBondContact O-N 2.98Å; Q273-T277 PolarHBondContact O-N 2.96Å; Q273-T277 PolarHBondContact O-OG1 3.37Å |
| 274 | S | 93.8 | Very high | 91.5 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 179.1 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | V270 F271 A276 T277 V278 | V270-S274 WeakPolarHBondContact O-CB 3.44Å; V270-S274 PolarHBondContact O-N 3.35Å; V270-S274 PolarHBondContact O-OG 3.02Å; F271-S274 PolarHBondContact O-N 3.46Å; S274-A276 VanDerWaalsContact C-N 3.29Å; S274-A276 PolarHBondContact O-N 3.23Å; S274-T277 PolarHBondContact O-N 2.9Å; S274-V278 WeakPolarHBondContact O-CG2 3.45Å; S274-V278 PolarHBondContact O-N 3.48Å |
| 275 | L | 93.8 | Very high | 91.1 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -36.9 | 177 | -178.6 | 63.1 | 0 | 0 | 0 | 111.7 | Y259 F271 F272 V278 E279 V296 M299 R300 | Y259-L275 HydrophobicContact CE2-CB 4.12Å; Y259-L275 HydrophobicContact CE2-CD1 3.89Å; F271-L275 HydrophobicContact CE1-CD2 4.25Å; F271-L275 HydrophobicContact CZ-CD2 4.45Å; F271-L275 VanDerWaalsContact O-CB 3.24Å; F271-L275 WeakPolarHBondContact O-CB 3.32Å; F271-L275 PolarHBondContact O-N 2.82Å; F272-L275 PolarHBondContact O-N 3.33Å; L275-V278 PolarHBondContact O-N 3.43Å; L275-E279 WeakPolarHBondContact O-CB 3.23Å; L275-E279 PolarHBondContact O-N 3.18Å; L275-V296 HydrophobicContact CD1-CG2 4.43Å; L275-V296 HydrophobicContact CD2-CG1 4.25Å; L275-M299 HydrophobicContact CD1-CB 4.17Å; L275-M299 HydrophobicContact CD2-CB 4.48Å; L275-R300 HydrophobicContact CD2-CG 4.11Å |
| 276 | A | 92.1 | Very high | 90.6 | Very high | 51 Ų | 51 | 49.8 Ų | 49.8 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | F272 Q273 S274 E279 Q280 | F272-A276 PolarHBondContact O-N 3.41Å; F272-A276 VanDerWaalsContact O-N 3.1Å; Q273-A276 PolarHBondContact O-N 2.98Å; S274-A276 VanDerWaalsContact C-N 3.29Å; S274-A276 PolarHBondContact O-N 3.23Å; A276-E279 PolarHBondContact O-N 3.42Å; A276-Q280 WeakPolarHBondContact O-CG 3.23Å; A276-Q280 PolarHBondContact O-N 3.46Å |
| 277 | T | 91.8 | Very high | 90.1 | Very high | 76 Ų | 76 | 47.9 Ų | 47.9 | 47% | 0.466 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.6 | -48.9 | 174.2 | -53.4 | 0 | 0 | 0 | 0 | 111 | Q273 S274 E279 Q280 D281 | Q273-T277 PolarHBondContact O-N 2.96Å; Q273-T277 PolarHBondContact O-OG1 3.37Å; S274-T277 PolarHBondContact O-N 2.9Å; T277-E279 VanDerWaalsContact C-N 3.28Å; T277-E279 PolarHBondContact O-N 3.1Å; T277-Q280 PolarHBondContact O-N 2.93Å; T277-Q280 VanDerWaalsContact O-N 3.08Å; T277-D281 PolarHBondContact O-N 2.99Å; T277-D281 VanDerWaalsContact O-N 3.08Å |
| 278 | V | 91.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60 | -38.6 | 177.6 | 173 | 0 | 0 | 0 | 0 | 111.3 | Y225 Y259 S274 L275 Q280 D281 M282 | Y225-V278 HydrophobicContact CD1-CG1 4.45Å; Y225-V278 HydrophobicContact CE1-CG1 3.88Å; Y225-V278 HydrophobicContact CE1-CG2 4.14Å; Y225-V278 HydrophobicContact CE2-CG1 4.03Å; Y259-V278 HydrophobicContact CD1-CG2 4.21Å; Y259-V278 HydrophobicContact CD2-CG2 4.33Å; Y259-V278 HydrophobicContact CG-CG2 4.08Å; S274-V278 WeakPolarHBondContact O-CG2 3.45Å; S274-V278 PolarHBondContact O-N 3.48Å; L275-V278 PolarHBondContact O-N 3.43Å; V278-Q280 VanDerWaalsContact C-N 3.32Å; V278-Q280 PolarHBondContact O-N 3.11Å; V278-D281 PolarHBondContact O-N 3.27Å; V278-M282 HydrophobicContact CG1-CG 4.01Å; V278-M282 HydrophobicContact CG1-SD 3.85Å; V278-M282 WeakPolarHBondContact O-CB 3.49Å; V278-M282 VanDerWaalsContact O-CG 3.24Å; V278-M282 WeakPolarHBondContact O-CG 3.43Å; V278-M282 PolarHBondContact O-N 3.08Å |
| 279 | E | 91.8 | Very high | 89.3 | Confident | 45 Ų | 45 | 42 Ų | 42 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 175.3 | 179.5 | 175.7 | -175.7 | 0 | 0 | 112.1 | L275 A276 T277 K283 Y292 V296 | L275-E279 WeakPolarHBondContact O-CB 3.23Å; L275-E279 PolarHBondContact O-N 3.18Å; A276-E279 PolarHBondContact O-N 3.42Å; T277-E279 VanDerWaalsContact C-N 3.28Å; T277-E279 PolarHBondContact O-N 3.1Å; E279-K283 WeakPolarHBondContact O-CB 3.48Å; E279-K283 PolarHBondContact O-N 3.39Å; E279-Y292 HydrophobicContact CG-CD2 4.02Å; E279-V296 HydrophobicContact CB-CG2 3.84Å; E279-V296 HydrophobicContact CG-CG2 3.76Å |
| 280 | Q | 90.1 | Very high | 89 | Confident | 100 Ų | 100 | 43.5 Ų | 43.5 | 47% | 0.467 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.1 | -39.5 | 177 | -63.7 | -54.2 | -41.4 | 0 | 0 | 111.9 | A276 T277 V278 K283 K284 | A276-Q280 WeakPolarHBondContact O-CG 3.23Å; A276-Q280 PolarHBondContact O-N 3.46Å; T277-Q280 PolarHBondContact O-N 2.93Å; T277-Q280 VanDerWaalsContact O-N 3.08Å; V278-Q280 VanDerWaalsContact C-N 3.32Å; V278-Q280 PolarHBondContact O-N 3.11Å; Q280-K283 PolarHBondContact O-N 3.08Å; Q280-K284 WeakPolarHBondContact O-CG 3.2Å; Q280-K284 PolarHBondContact O-N 2.98Å |
| 281 | D | 87.4 | Confident | 88.7 | Confident | 71 Ų | 71 | 42.9 Ų | 42.9 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.6 | -44.6 | 178.7 | -65.5 | -23.9 | 0 | 0 | 0 | 111.1 | T277 V278 K283 K284 D285 | T277-D281 PolarHBondContact O-N 2.99Å; T277-D281 VanDerWaalsContact O-N 3.08Å; V278-D281 PolarHBondContact O-N 3.27Å; D281-K283 PolarHBondContact O-N 3.31Å; D281-K284 WeakPolarHBondContact O-CB 3.25Å; D281-K284 PolarHBondContact O-N 3.05Å; D281-K284 VanDerWaalsContact O-N 3.1Å; D281-D285 PolarHBondContact O-N 3.44Å |
| 282 | M | 87.6 | Confident | 88.5 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.9 | -30.2 | 174.6 | -71 | -175.6 | 78.8 | 0 | 0 | 112.9 | Y225 V278 K284 D285 F288 A289 Y295 | Y225-M282 HydrophobicContact CE2-CG 4.33Å; V278-M282 HydrophobicContact CG1-CG 4.01Å; V278-M282 HydrophobicContact CG1-SD 3.85Å; V278-M282 WeakPolarHBondContact O-CB 3.49Å; V278-M282 VanDerWaalsContact O-CG 3.24Å; V278-M282 WeakPolarHBondContact O-CG 3.43Å; V278-M282 PolarHBondContact O-N 3.08Å; M282-K284 VanDerWaalsContact C-N 3.31Å; M282-D285 PolarHBondContact O-N 3.41Å; M282-F288 HydrophobicContact CB-CB 4.18Å; M282-F288 HydrophobicContact CE-CB 3.68Å; M282-F288 HydrophobicContact CE-CD1 3.28Å; M282-F288 HydrophobicContact CE-CE1 4.04Å; M282-F288 HydrophobicContact CE-CG 3.66Å; M282-F288 HydrophobicContact CG-CB 4.44Å; M282-A289 PolarHBondContact O-N 2.98Å; M282-Y295 HydrophobicContact CE-CD1 3.93Å; M282-Y295 HydrophobicContact CE-CD2 3.64Å; M282-Y295 HydrophobicContact CE-CE1 4.49Å; M282-Y295 HydrophobicContact CE-CE2 4.26Å; M282-Y295 HydrophobicContact CE-CG 3.5Å; M282-Y295 HydrophobicContact SD-CD1 3.44Å; M282-Y295 WeakPolarHBondContact SD-CD1 3.1Å; M282-Y295 HydrophobicContact SD-CD2 4.19Å; M282-Y295 HydrophobicContact SD-CE1 3.79Å; M282-Y295 HydrophobicContact SD-CG 3.71Å |
| 283 | K | 86.7 | Confident | 88.4 | Confident | 92 Ų | 92 | 52 Ų | 52 | 40% | 0.4 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69 | -32.1 | 176.2 | -172.8 | 179.4 | 177.1 | -169.4 | 0 | 111.8 | M28 E279 Q280 D281 D285 A289 | M28-K283 WeakPolarHBondContact CE-O 3.18Å; E279-K283 WeakPolarHBondContact O-CB 3.48Å; E279-K283 PolarHBondContact O-N 3.39Å; Q280-K283 PolarHBondContact O-N 3.08Å; D281-K283 PolarHBondContact O-N 3.31Å; K283-D285 VanDerWaalsContact C-N 3.32Å; K283-A289 WeakPolarHBondContact O-CB 3.13Å |
| 284 | K | 82.7 | Confident | 88.4 | Confident | 85 Ų | 85 | 48.8 Ų | 48.8 | 37% | 0.37 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -75.5 | -23.7 | 176.6 | -68.8 | 170.7 | -174.6 | 170 | 0 | 112.4 | L25 Q280 D281 M282 | L25-K284 HydrophobicContact CD2-CB 3.94Å; L25-K284 HydrophobicContact CD2-CG 4.47Å; L25-K284 WeakPolarHBondContact CD2-O 3.2Å; Q280-K284 WeakPolarHBondContact O-CG 3.2Å; Q280-K284 PolarHBondContact O-N 2.98Å; D281-K284 WeakPolarHBondContact O-CB 3.25Å; D281-K284 PolarHBondContact O-N 3.05Å; D281-K284 VanDerWaalsContact O-N 3.1Å; M282-K284 VanDerWaalsContact C-N 3.31Å |
| 285 | D | 84.1 | Confident | 88.4 | Confident | 14 Ų | 14 | 48.3 Ų | 48.3 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -83.8 | 129.6 | -175.2 | -165.4 | -6.8 | 0 | 0 | 0 | 112.8 | Y222 D281 M282 K283 L287 F288 A289 | Y222-D285 WeakPolarHBondContact CE1-OD2 3.15Å; Y222-D285 VanDerWaalsContact OH-CG 3.25Å; Y222-D285 PolarHBondContact OH-OD1 3.18Å; Y222-D285 PolarHBondContact OH-OD2 3.48Å; D281-D285 PolarHBondContact O-N 3.44Å; M282-D285 PolarHBondContact O-N 3.41Å; K283-D285 VanDerWaalsContact C-N 3.32Å; D285-L287 VanDerWaalsContact C-N 3.29Å; D285-L287 PolarHBondContact O-N 3.26Å; D285-F288 HydrophobicContact CB-CB 4.49Å; D285-F288 PolarHBondContact O-N 2.56Å; D285-F288 WeakPolarHBondContact OD2-CD2 3.5Å; D285-A289 WeakPolarHBondContact O-CB 3.49Å; D285-A289 PolarHBondContact O-N 3.36Å |
| 286 | W | 80.1 | Confident | 88.4 | Confident | 56 Ų | 56 | 48.3 Ų | 48.3 | 21% | 0.212 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -31.8 | -174.2 | 71.2 | -18.2 | 0 | 0 | 0 | 115.5 | L17 A20 Q21 F24 P290 | L17-W286 HydrophobicContact CB-CH2 3.53Å; L17-W286 HydrophobicContact CB-CZ2 3.9Å; L17-W286 HydrophobicContact CD1-CZ2 4.43Å; L17-W286 HydrophobicContact CD2-CH2 3.8Å; L17-W286 HydrophobicContact CD2-CZ2 4.37Å; L17-W286 HydrophobicContact CG-CH2 4.12Å; L17-W286 HydrophobicContact CG-CZ2 4.46Å; L17-W286 WeakPolarHBondContact O-CH2 3.17Å; L17-W286 WeakPolarHBondContact O-CZ3 3.37Å; A20-W286 HydrophobicContact CB-CE3 3.88Å; A20-W286 HydrophobicContact CB-CH2 4.36Å; A20-W286 HydrophobicContact CB-CZ3 3.3Å; Q21-W286 HydrophobicContact CB-CD2 4.19Å; Q21-W286 HydrophobicContact CB-CE3 4.08Å; Q21-W286 HydrophobicContact CB-CZ3 4.42Å; F24-W286 HydrophobicContact CB-CB 3.75Å; F24-W286 HydrophobicContact CD1-CB 3.61Å; F24-W286 HydrophobicContact CD2-CB 4.35Å; F24-W286 VanDerWaalsContact CE1-CA 3.43Å; F24-W286 HydrophobicContact CE1-CB 4.27Å; F24-W286 HydrophobicContact CG-CB 3.63Å; W286-P290 WeakPolarHBondContact O-CD 3.46Å |
| 287 | L | 82.1 | Confident | 88.4 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -38.1 | -170.8 | -175.4 | 68.9 | 0 | 0 | 0 | 109.5 | M152 L186 V189 A190 D285 | M152-L287 HydrophobicContact CE-CD1 4.4Å; L186-L287 HydrophobicContact CD2-CD2 3.57Å; V189-L287 HydrophobicContact CB-CD2 4.19Å; V189-L287 HydrophobicContact CG1-CD2 3.79Å; V189-L287 HydrophobicContact CG1-CG 3.97Å; A190-L287 HydrophobicContact CB-CD1 3.79Å; D285-L287 VanDerWaalsContact C-N 3.29Å; D285-L287 PolarHBondContact O-N 3.26Å |
| 288 | F | 84.6 | Confident | 88.5 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -21.7 | -176.9 | -72.4 | -78.4 | 0 | 0 | 0 | 113.4 | V189 F194 Y222 V226 M282 D285 H291 Y292 | V189-F288 HydrophobicContact CG1-CD1 4.04Å; V189-F288 HydrophobicContact CG1-CE1 3.43Å; V189-F288 VanDerWaalsContact CG1-CE1 3.43Å; V189-F288 HydrophobicContact CG1-CE2 4.2Å; V189-F288 HydrophobicContact CG1-CZ 3.53Å; F194-F288 HydrophobicContact CE1-CE1 4.21Å; Y222-F288 HydrophobicContact CD1-CD2 4.28Å; Y222-F288 AromaticContact CD1-CE2 3.41Å; Y222-F288 HydrophobicContact CD1-CE2 3.41Å; Y222-F288 VanDerWaalsContact CD1-CE2 3.41Å; Y222-F288 HydrophobicContact CD1-CZ 4.07Å; Y222-F288 HydrophobicContact CD2-CE2 4.28Å; Y222-F288 AromaticContact CE1-CD2 3.97Å; Y222-F288 HydrophobicContact CE1-CD2 3.97Å; Y222-F288 AromaticContact CE1-CE2 3.5Å; Y222-F288 HydrophobicContact CE1-CE2 3.5Å; Y222-F288 HydrophobicContact CE2-CE2 4.37Å; Y222-F288 AromaticContact CG-CE2 3.82Å; Y222-F288 HydrophobicContact CG-CE2 3.82Å; Y222-F288 HydrophobicContact CG-CZ 4.26Å; Y222-F288 AromaticContact CZ-CE2 4Å; V226-F288 HydrophobicContact CG2-CE1 4.42Å; V226-F288 HydrophobicContact CG2-CZ 4.3Å; M282-F288 HydrophobicContact CB-CB 4.18Å; M282-F288 HydrophobicContact CE-CB 3.68Å; M282-F288 HydrophobicContact CE-CD1 3.28Å; M282-F288 HydrophobicContact CE-CE1 4.04Å; M282-F288 HydrophobicContact CE-CG 3.66Å; M282-F288 HydrophobicContact CG-CB 4.44Å; D285-F288 HydrophobicContact CB-CB 4.49Å; D285-F288 PolarHBondContact O-N 2.56Å; D285-F288 WeakPolarHBondContact OD2-CD2 3.5Å; F288-H291 CarbonylContact O-C 3.49Å; F288-H291 WeakPolarHBondContact O-CA 3.14Å; F288-H291 PolarHBondContact O-N 2.81Å; F288-Y292 PolarHBondContact O-N 3.3Å |
| 289 | A | 85.3 | Confident | 88.5 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 12% | 0.124 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | F24 M282 K283 D285 H291 Y292 | F24-A289 HydrophobicContact CE1-CB 3.4Å; F24-A289 HydrophobicContact CZ-CB 3.27Å; M282-A289 PolarHBondContact O-N 2.98Å; K283-A289 WeakPolarHBondContact O-CB 3.13Å; D285-A289 WeakPolarHBondContact O-CB 3.49Å; D285-A289 PolarHBondContact O-N 3.36Å; A289-H291 PolarHBondContact O-N 3.46Å; A289-Y292 WeakPolarHBondContact O-CD1 3.5Å |
| 290 | P | 87.4 | Confident | 88.6 | Confident | 78 Ų | 78 | 48 Ų | 48 | 51% | 0.506 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -14.3 | 169.3 | -22.9 | 36 | 0 | 0 | 0 | 113.2 | W286 | W286-P290 WeakPolarHBondContact O-CD 3.46Š|
| 291 | H | 88.9 | Confident | 88.7 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 10% | 0.097 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | -3.2 | -165.2 | -56.6 | -19.4 | 0 | 0 | 0 | 114.2 | A190 R192 F288 A289 R293 Y294 Y295 | A190-H291 PolarHBondContact O-NE2 2.86Å; R192-H291 HydrophobicContact CG-CB 4.47Å; R192-H291 PolarHBondContact NE-CE1 3.47Å; R192-H291 PolarHBondContact NE-ND1 3.45Å; R192-H291 PolarHBondContact NH2-ND1 3.24Å; F288-H291 CarbonylContact O-C 3.49Å; F288-H291 WeakPolarHBondContact O-CA 3.14Å; F288-H291 PolarHBondContact O-N 2.81Å; A289-H291 PolarHBondContact O-N 3.46Å; H291-R293 VanDerWaalsContact C-N 3.29Å; H291-R293 PolarHBondContact O-N 2.99Å; H291-Y294 WeakPolarHBondContact O-CA 3.48Å; H291-Y294 WeakPolarHBondContact O-CB 3.5Å; H291-Y294 PolarHBondContact O-N 3.05Å; H291-Y295 PolarHBondContact O-N 3.2Å |
| 292 | Y | 90.4 | Very high | 88.9 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 15% | 0.149 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -53 | -41.8 | -177.4 | 77.5 | -78.3 | 0 | 0 | 0 | 113.3 | E279 F288 A289 Y294 Y295 V296 | E279-Y292 HydrophobicContact CG-CD2 4.02Å; F288-Y292 PolarHBondContact O-N 3.3Å; A289-Y292 WeakPolarHBondContact O-CD1 3.5Å; Y292-Y294 VanDerWaalsContact C-N 3.28Å; Y292-Y294 PolarHBondContact O-N 3.05Å; Y292-Y295 WeakPolarHBondContact O-CB 3.4Å; Y292-Y295 PolarHBondContact O-N 3.48Å; Y292-Y295 VanDerWaalsContact O-N 3.17Å; Y292-V296 WeakPolarHBondContact O-CG2 3.01Å; Y292-V296 PolarHBondContact O-N 2.72Å |
| 293 | R | 91.4 | Very high | 89.1 | Confident | 183 Ų | 183 | 43.7 Ų | 43.7 | 69% | 0.691 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -61.9 | -36.8 | 177.6 | -64.4 | -173.7 | 178.6 | 177.9 | -4.1 | 112.7 | H291 R297 | H291-R293 VanDerWaalsContact C-N 3.29Å; H291-R293 PolarHBondContact O-N 2.99Å; R293-R297 VanDerWaalsContact O-CB 3.25Å; R293-R297 WeakPolarHBondContact O-CB 3.43Å; R293-R297 PolarHBondContact O-N 3.43Å |
| 294 | Y | 92.5 | Very high | 89.4 | Confident | 66 Ų | 66 | 39.3 Ų | 39.3 | 26% | 0.259 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -67.3 | -48 | 175.8 | 173.2 | -89.7 | 0 | 0 | 0 | 109.7 | F194 H291 Y292 V296 R297 E298 | F194-Y294 HydrophobicContact CD2-CD1 4.45Å; F194-Y294 AromaticContact CD2-CE1 3.81Å; F194-Y294 HydrophobicContact CD2-CE1 3.81Å; F194-Y294 AromaticContact CE2-CD1 3.66Å; F194-Y294 HydrophobicContact CE2-CD1 3.66Å; F194-Y294 AromaticContact CE2-CE1 3.46Å; F194-Y294 HydrophobicContact CE2-CE1 3.46Å; F194-Y294 VanDerWaalsContact CE2-CE1 3.46Å; F194-Y294 HydrophobicContact CZ-CD1 4.47Å; H291-Y294 WeakPolarHBondContact O-CA 3.48Å; H291-Y294 WeakPolarHBondContact O-CB 3.5Å; H291-Y294 PolarHBondContact O-N 3.05Å; Y292-Y294 VanDerWaalsContact C-N 3.28Å; Y292-Y294 PolarHBondContact O-N 3.05Å; Y294-V296 PolarHBondContact O-N 3.47Å; Y294-R297 PolarHBondContact O-N 3.31Å; Y294-E298 HydrophobicContact CD1-CG 4.17Å; Y294-E298 HydrophobicContact CD2-CG 4.28Å; Y294-E298 HydrophobicContact CE1-CG 3.69Å; Y294-E298 HydrophobicContact CE2-CG 3.83Å; Y294-E298 HydrophobicContact CG-CG 4.44Å; Y294-E298 WeakPolarHBondContact O-CG 3.39Å; Y294-E298 PolarHBondContact O-N 2.98Å |
| 295 | Y | 93.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.6 | -54.8 | 179 | -173.3 | -85.7 | 0 | 0 | 0 | 112 | Y225 I229 Y259 M282 H291 Y292 R297 E298 M299 | Y225-Y295 WeakPolarHBondContact CA-OH 3.24Å; Y225-Y295 VanDerWaalsContact O-CE2 3.28Å; Y225-Y295 WeakPolarHBondContact O-CE2 3.33Å; Y225-Y295 PolarHBondContact O-OH 2.97Å; I229-Y295 HydrophobicContact CD1-CD2 3.07Å; I229-Y295 HydrophobicContact CD1-CE2 3.22Å; I229-Y295 HydrophobicContact CD1-CG 3.75Å; I229-Y295 HydrophobicContact CG1-CD2 4.08Å; I229-Y295 HydrophobicContact CG1-CE2 3.71Å; Y259-Y295 WeakPolarHBondContact OH-CE1 3.26Å; Y259-Y295 PolarHBondContact OH-OH 3.25Å; M282-Y295 HydrophobicContact CE-CD1 3.93Å; M282-Y295 HydrophobicContact CE-CD2 3.64Å; M282-Y295 HydrophobicContact CE-CE1 4.49Å; M282-Y295 HydrophobicContact CE-CE2 4.26Å; M282-Y295 HydrophobicContact CE-CG 3.5Å; M282-Y295 HydrophobicContact SD-CD1 3.44Å; M282-Y295 WeakPolarHBondContact SD-CD1 3.1Å; M282-Y295 HydrophobicContact SD-CD2 4.19Å; M282-Y295 HydrophobicContact SD-CE1 3.79Å; M282-Y295 HydrophobicContact SD-CG 3.71Å; H291-Y295 PolarHBondContact O-N 3.2Å; Y292-Y295 WeakPolarHBondContact O-CB 3.4Å; Y292-Y295 PolarHBondContact O-N 3.48Å; Y292-Y295 VanDerWaalsContact O-N 3.17Å; Y295-R297 VanDerWaalsContact C-N 3.31Å; Y295-R297 PolarHBondContact O-N 3.06Å; Y295-E298 PolarHBondContact O-N 3.29Å; Y295-M299 HydrophobicContact CD1-CG 3.98Å; Y295-M299 HydrophobicContact CE1-CG 3.58Å; Y295-M299 WeakPolarHBondContact O-CG 3.43Å; Y295-M299 PolarHBondContact O-N 3.3Å |
| 296 | V | 93.9 | Very high | 90.1 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 4% | 0.036 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | -179.3 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | L275 E279 Y292 Y294 M299 R300 | L275-V296 HydrophobicContact CD1-CG2 4.43Å; L275-V296 HydrophobicContact CD2-CG1 4.25Å; E279-V296 HydrophobicContact CB-CG2 3.84Å; E279-V296 HydrophobicContact CG-CG2 3.76Å; Y292-V296 WeakPolarHBondContact O-CG2 3.01Å; Y292-V296 PolarHBondContact O-N 2.72Å; Y294-V296 PolarHBondContact O-N 3.47Å; V296-M299 PolarHBondContact O-N 3.15Å; V296-R300 WeakPolarHBondContact O-CG 3.44Å; V296-R300 PolarHBondContact O-N 2.8Å |
| 297 | R | 93.1 | Very high | 90.6 | Very high | 100 Ų | 100 | 36.2 Ų | 36.2 | 38% | 0.377 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 179 | -172.1 | -170.7 | 69.1 | -166.7 | 0.8 | 112.1 | R293 Y294 Y295 R300 I301 F337 | R293-R297 VanDerWaalsContact O-CB 3.25Å; R293-R297 WeakPolarHBondContact O-CB 3.43Å; R293-R297 PolarHBondContact O-N 3.43Å; Y294-R297 PolarHBondContact O-N 3.31Å; Y295-R297 VanDerWaalsContact C-N 3.31Å; Y295-R297 PolarHBondContact O-N 3.06Å; R297-R300 PolarHBondContact O-N 2.97Å; R297-I301 HydrophobicContact CG-CD1 4.36Å; R297-I301 WeakPolarHBondContact O-CG1 3.42Å; R297-I301 PolarHBondContact O-N 2.92Å; R297-F337 HydrophobicContact CG-CE1 3.61Å; R297-F337 HydrophobicContact CG-CZ 4.04Å |
| 298 | E | 92.7 | Very high | 91 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.028 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.8 | -40.4 | 178.8 | -64.5 | -51.4 | 135.9 | 0 | 0 | 111.3 | I229 Y294 Y295 R300 I301 H302 R342 | I229-E298 HydrophobicContact CD1-CB 4.44Å; Y294-E298 HydrophobicContact CD1-CG 4.17Å; Y294-E298 HydrophobicContact CD2-CG 4.28Å; Y294-E298 HydrophobicContact CE1-CG 3.69Å; Y294-E298 HydrophobicContact CE2-CG 3.83Å; Y294-E298 HydrophobicContact CG-CG 4.44Å; Y294-E298 WeakPolarHBondContact O-CG 3.39Å; Y294-E298 PolarHBondContact O-N 2.98Å; Y295-E298 PolarHBondContact O-N 3.29Å; E298-R300 VanDerWaalsContact C-N 3.34Å; E298-R300 PolarHBondContact O-N 3.27Å; E298-I301 WeakPolarHBondContact O-CB 3.35Å; E298-I301 PolarHBondContact O-N 3.16Å; E298-I301 VanDerWaalsContact O-N 3.17Å; E298-H302 PolarHBondContact O-CD2 3.09Å; E298-H302 PolarHBondContact O-N 3.35Å; E298-R342 IonicContact OE1-NH2 3.7Å; E298-R342 IonicContact OE2-CZ 2.63Å; E298-R342 IonicContact OE2-NE 2.72Å; E298-R342 IonicContact OE2-NH2 2.82Å; E298-R342 PolarHBondContact OE2-NH2 2.98Å |
| 299 | M | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.3 | -38 | 176.8 | -72.5 | -54.8 | -49.4 | 0 | 0 | 113.1 | M228 I229 Y259 L263 F271 L275 Y295 V296 H302 A303 | M228-M299 HydrophobicContact CB-CE 4.16Å; M228-M299 HydrophobicContact CB-SD 4.16Å; M228-M299 HydrophobicContact CE-CE 3.83Å; I229-M299 HydrophobicContact CD1-CG 4.33Å; I229-M299 HydrophobicContact CD1-SD 4.34Å; I229-M299 HydrophobicContact CG1-CG 4.1Å; I229-M299 HydrophobicContact CG1-SD 3.47Å; I229-M299 WeakPolarHBondContact CG1-SD 3.27Å; Y259-M299 WeakPolarHBondContact OH-CE 3.32Å; Y259-M299 WeakPolarHBondContact OH-CG 3.49Å; L263-M299 HydrophobicContact CD2-CE 3.68Å; F271-M299 HydrophobicContact CE2-CE 3.95Å; F271-M299 HydrophobicContact CZ-CB 4.29Å; F271-M299 HydrophobicContact CZ-CE 3.65Å; L275-M299 HydrophobicContact CD1-CB 4.17Å; L275-M299 HydrophobicContact CD2-CB 4.48Å; Y295-M299 HydrophobicContact CD1-CG 3.98Å; Y295-M299 HydrophobicContact CE1-CG 3.58Å; Y295-M299 WeakPolarHBondContact O-CG 3.43Å; Y295-M299 PolarHBondContact O-N 3.3Å; V296-M299 PolarHBondContact O-N 3.15Å; M299-H302 PolarHBondContact O-N 3.34Å; M299-A303 PolarHBondContact O-N 3.16Å |
| 300 | R | 92.9 | Very high | 91.2 | Very high | 63 Ų | 63 | 45.9 Ų | 45.9 | 24% | 0.238 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 172.7 | -71 | -179.4 | -166 | -178 | 0.9 | 111.7 | F272 L275 V296 R297 E298 H302 A303 Y304 E333 F337 | F272-R300 HydrophobicContact CZ-CG 4.47Å; L275-R300 HydrophobicContact CD2-CG 4.11Å; V296-R300 WeakPolarHBondContact O-CG 3.44Å; V296-R300 PolarHBondContact O-N 2.8Å; R297-R300 PolarHBondContact O-N 2.97Å; E298-R300 VanDerWaalsContact C-N 3.34Å; E298-R300 PolarHBondContact O-N 3.27Å; R300-H302 VanDerWaalsContact C-N 3.31Å; R300-H302 PolarHBondContact O-N 3.43Å; R300-A303 PolarHBondContact O-N 3.2Å; R300-Y304 HydrophobicContact CB-CD2 4.48Å; R300-Y304 HydrophobicContact CB-CE2 4.19Å; R300-Y304 WeakPolarHBondContact O-CD2 3.44Å; R300-Y304 PolarHBondContact O-N 3.23Å; R300-E333 WeakPolarHBondContact CD-OE1 3.21Å; R300-E333 IonicContact CZ-OE1 3.92Å; R300-E333 IonicContact NE-OE1 3.16Å; R300-E333 IonicContact NH1-OE1 2.7Å; R300-E333 PolarHBondContact NH1-OE1 3.21Å; R300-E333 IonicContact NH1-OE2 3.82Å; R300-F337 HydrophobicContact CB-CE2 4.35Å; R300-F337 HydrophobicContact CB-CZ 4.41Å |
| 301 | I | 92.5 | Very high | 91.3 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 6% | 0.056 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 176.2 | -65.8 | 164.4 | 0 | 0 | 0 | 110.5 | R297 E298 Y304 S305 F337 R342 L343 | R297-I301 HydrophobicContact CG-CD1 4.36Å; R297-I301 WeakPolarHBondContact O-CG1 3.42Å; R297-I301 PolarHBondContact O-N 2.92Å; E298-I301 WeakPolarHBondContact O-CB 3.35Å; E298-I301 PolarHBondContact O-N 3.16Å; E298-I301 VanDerWaalsContact O-N 3.17Å; I301-Y304 PolarHBondContact O-N 2.96Å; I301-S305 VanDerWaalsContact O-CB 3.25Å; I301-S305 WeakPolarHBondContact O-CB 3.49Å; I301-S305 PolarHBondContact O-N 3.33Å; I301-F337 HydrophobicContact CD1-CD1 3.79Å; I301-F337 HydrophobicContact CD1-CE1 3.83Å; I301-F337 HydrophobicContact CD1-CG 4.45Å; I301-F337 HydrophobicContact CD1-CZ 4.48Å; I301-F337 HydrophobicContact CG1-CD1 3.7Å; I301-F337 HydrophobicContact CG1-CD2 4.12Å; I301-F337 HydrophobicContact CG1-CE1 3.73Å; I301-F337 HydrophobicContact CG1-CE2 4.14Å; I301-F337 HydrophobicContact CG1-CG 3.91Å; I301-F337 HydrophobicContact CG1-CZ 3.95Å; I301-R342 HydrophobicContact CD1-CB 4.01Å; I301-R342 HydrophobicContact CD1-CG 4.2Å; I301-R342 HydrophobicContact CG2-CB 4.36Å; I301-L343 HydrophobicContact CG2-CD2 4.02Å; I301-L343 HydrophobicContact CG2-CG 4.43Å |
| 302 | H | 91.6 | Very high | 91.2 | Very high | 72 Ų | 72 | 56 Ų | 56 | 33% | 0.333 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.4 | -46 | 177.1 | -76.2 | -62.1 | 0 | 0 | 0 | 112.5 | E298 M299 R300 Y304 S305 Q306 | E298-H302 PolarHBondContact O-CD2 3.09Å; E298-H302 PolarHBondContact O-N 3.35Å; M299-H302 PolarHBondContact O-N 3.34Å; R300-H302 VanDerWaalsContact C-N 3.31Å; R300-H302 PolarHBondContact O-N 3.43Å; H302-Y304 PolarHBondContact O-N 3.4Å; H302-S305 PolarHBondContact O-N 3.18Å; H302-Q306 WeakPolarHBondContact O-CB 3.37Å; H302-Q306 PolarHBondContact O-N 3.34Å |
| 303 | A | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L263 Y268 F271 M299 R300 Q306 L307 F323 | L263-A303 HydrophobicContact CD1-CB 4.18Å; Y268-A303 HydrophobicContact CD1-CB 4.32Å; Y268-A303 HydrophobicContact CE1-CB 4.42Å; F271-A303 HydrophobicContact CD1-CB 4.06Å; F271-A303 HydrophobicContact CE1-CB 3.66Å; M299-A303 PolarHBondContact O-N 3.16Å; R300-A303 PolarHBondContact O-N 3.2Å; A303-Q306 PolarHBondContact O-N 3.48Å; A303-L307 PolarHBondContact O-N 3.31Å; A303-F323 HydrophobicContact CB-CE1 4Å; A303-F323 HydrophobicContact CB-CZ 4.4Å |
| 304 | Y | 92.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.7 | -46.7 | 175.3 | -66.5 | -41.2 | 0 | 0 | 0 | 112.3 | F272 R300 I301 H302 Q306 L307 L308 M319 F323 I330 E333 L334 F337 L343 | F272-Y304 HydrophobicContact CZ-CE1 4.19Å; F272-Y304 AromaticContact CZ-CZ 3.91Å; F272-Y304 WeakPolarHBondContact CZ-OH 3.06Å; R300-Y304 HydrophobicContact CB-CD2 4.48Å; R300-Y304 HydrophobicContact CB-CE2 4.19Å; R300-Y304 WeakPolarHBondContact O-CD2 3.44Å; R300-Y304 PolarHBondContact O-N 3.23Å; I301-Y304 PolarHBondContact O-N 2.96Å; H302-Y304 PolarHBondContact O-N 3.4Å; Y304-Q306 VanDerWaalsContact C-N 3.26Å; Y304-Q306 PolarHBondContact O-N 3.19Å; Y304-L307 PolarHBondContact O-N 3.21Å; Y304-L308 WeakPolarHBondContact O-CB 3.33Å; Y304-L308 WeakPolarHBondContact O-CG 3.43Å; Y304-L308 PolarHBondContact O-N 3.17Å; Y304-M319 HydrophobicContact CD1-CE 3.15Å; Y304-M319 HydrophobicContact CE1-CE 3.59Å; Y304-M319 HydrophobicContact CG-CE 3.95Å; Y304-F323 HydrophobicContact CD1-CD2 4.32Å; Y304-F323 AromaticContact CD1-CE1 3.9Å; Y304-F323 HydrophobicContact CD1-CE1 3.9Å; Y304-F323 AromaticContact CD1-CE2 3.6Å; Y304-F323 HydrophobicContact CD1-CE2 3.6Å; Y304-F323 AromaticContact CD1-CZ 3.38Å; Y304-F323 HydrophobicContact CD1-CZ 3.38Å; Y304-F323 HydrophobicContact CE1-CD1 4.02Å; Y304-F323 AromaticContact CE1-CD2 3.95Å; Y304-F323 HydrophobicContact CE1-CD2 3.95Å; Y304-F323 AromaticContact CE1-CE1 3.76Å; Y304-F323 HydrophobicContact CE1-CE1 3.76Å; Y304-F323 AromaticContact CE1-CE2 3.69Å; Y304-F323 HydrophobicContact CE1-CE2 3.69Å; Y304-F323 HydrophobicContact CE1-CG 4.14Å; Y304-F323 AromaticContact CE1-CZ 3.62Å; Y304-F323 HydrophobicContact CE1-CZ 3.62Å; Y304-F323 HydrophobicContact CG-CZ 4.49Å; Y304-I330 HydrophobicContact CE1-CD1 3.74Å; Y304-I330 WeakPolarHBondContact OH-CD1 3.38Å; Y304-E333 HydrophobicContact CE2-CB 4.33Å; Y304-E333 PolarHBondContact OH-OE2 2.63Å; Y304-L334 HydrophobicContact CD2-CD2 4.23Å; Y304-L334 HydrophobicContact CG-CD2 4.18Å; Y304-F337 HydrophobicContact CD2-CD2 4.14Å; Y304-F337 HydrophobicContact CD2-CE2 4.08Å; Y304-F337 HydrophobicContact CE2-CD2 4.32Å; Y304-F337 AromaticContact CE2-CE2 3.95Å; Y304-F337 HydrophobicContact CE2-CE2 3.95Å; Y304-L343 HydrophobicContact CD2-CD1 4.31Å |
| 305 | S | 90.8 | Very high | 91.2 | Very high | 49 Ų | 49 | 49.6 Ų | 49.6 | 34% | 0.343 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.3 | -41.3 | 177.4 | -167.9 | 0 | 0 | 0 | 0 | 111.5 | I301 H302 L307 L308 E309 | I301-S305 VanDerWaalsContact O-CB 3.25Å; I301-S305 WeakPolarHBondContact O-CB 3.49Å; I301-S305 PolarHBondContact O-N 3.33Å; H302-S305 PolarHBondContact O-N 3.18Å; S305-L307 PolarHBondContact O-N 3.12Å; S305-L308 PolarHBondContact O-N 2.77Å; S305-E309 VanDerWaalsContact O-CB 3.29Å; S305-E309 WeakPolarHBondContact O-CB 3.43Å; S305-E309 PolarHBondContact O-N 3.48Å |
| 306 | Q | 90.6 | Very high | 91 | Very high | 33 Ų | 33 | 50 Ų | 50 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.5 | -41.3 | 179.4 | -176 | 177.3 | -30.4 | 0 | 0 | 112.7 | L263 C266 H302 A303 Y304 S310 | L263-Q306 PolarHBondContact O-NE2 3.01Å; C266-Q306 PolarHBondContact SG-NE2 2.86Å; H302-Q306 WeakPolarHBondContact O-CB 3.37Å; H302-Q306 PolarHBondContact O-N 3.34Å; A303-Q306 PolarHBondContact O-N 3.48Å; Y304-Q306 VanDerWaalsContact C-N 3.26Å; Y304-Q306 PolarHBondContact O-N 3.19Å; Q306-S310 PolarHBondContact O-OG 3.3Å |
| 307 | L | 91.3 | Very high | 90.9 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.6 | -47.7 | 176 | -177.3 | 66.1 | 0 | 0 | 0 | 110.6 | Y268 A303 Y304 S305 E309 S310 Y311 Y318 M319 F323 | Y268-L307 HydrophobicContact CE2-CB 4.2Å; Y268-L307 HydrophobicContact CE2-CD1 3.88Å; Y268-L307 HydrophobicContact CE2-CG 4.49Å; A303-L307 PolarHBondContact O-N 3.31Å; Y304-L307 PolarHBondContact O-N 3.21Å; S305-L307 PolarHBondContact O-N 3.12Å; L307-E309 VanDerWaalsContact C-N 3.33Å; L307-E309 PolarHBondContact O-N 2.92Å; L307-S310 PolarHBondContact O-N 3.24Å; L307-Y311 HydrophobicContact CD1-CD2 4.22Å; L307-Y311 HydrophobicContact CD1-CE2 3.87Å; L307-Y311 WeakPolarHBondContact O-CD2 3.44Å; L307-Y318 HydrophobicContact CD1-CE1 4.46Å; L307-M319 HydrophobicContact CD2-CG 3.99Å; L307-F323 HydrophobicContact CB-CE2 4.46Å; L307-F323 HydrophobicContact CD2-CD2 4.33Å; L307-F323 HydrophobicContact CD2-CE2 3.56Å; L307-F323 HydrophobicContact CD2-CZ 4.4Å |
| 308 | L | 89 | Confident | 90.9 | Very high | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -34 | -177.3 | -67.1 | 176.4 | 0 | 0 | 0 | 112.6 | Y304 S305 S310 Y311 L314 L343 C345 V354 T356 | Y304-L308 WeakPolarHBondContact O-CB 3.33Å; Y304-L308 WeakPolarHBondContact O-CG 3.43Å; Y304-L308 PolarHBondContact O-N 3.17Å; S305-L308 PolarHBondContact O-N 2.77Å; L308-S310 PolarHBondContact O-N 3.18Å; L308-Y311 PolarHBondContact O-N 3.42Å; L308-L314 HydrophobicContact CD2-CD1 4.08Å; L308-L314 HydrophobicContact CD2-CD2 3.44Å; L308-L314 VanDerWaalsContact CD2-CD2 3.44Å; L308-L314 HydrophobicContact CD2-CG 4.3Å; L308-L343 HydrophobicContact CD1-CD2 4.37Å; L308-C345 HydrophobicContact CD1-CB 4.18Å; L308-V354 HydrophobicContact CD2-CG1 3.99Å; L308-T356 HydrophobicContact CB-CG2 3.8Å; L308-T356 HydrophobicContact CD2-CG2 3.92Å; L308-T356 HydrophobicContact CG-CG2 4.36Å; L308-T356 WeakPolarHBondContact O-CG2 2.99Å |
| 309 | E | 87.3 | Confident | 90.8 | Very high | 136 Ų | 136 | 51 Ų | 51 | 64% | 0.636 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.7 | -30.9 | -179.3 | -170.1 | 127.8 | -154.7 | 0 | 0 | 113 | S305 L307 R358 | S305-E309 VanDerWaalsContact O-CB 3.29Å; S305-E309 WeakPolarHBondContact O-CB 3.43Å; S305-E309 PolarHBondContact O-N 3.48Å; L307-E309 VanDerWaalsContact C-N 3.33Å; L307-E309 PolarHBondContact O-N 2.92Å; E309-R358 PolarHBondContact O-NH2 3.05Å |
| 310 | S | 88.2 | Confident | 90.8 | Very high | 82 Ų | 82 | 51.3 Ų | 51.3 | 57% | 0.573 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -78 | -21.1 | -177 | -50.7 | 0 | 0 | 0 | 0 | 113.2 | Q306 L307 L308 | Q306-S310 PolarHBondContact O-OG 3.3Å; L307-S310 PolarHBondContact O-N 3.24Å; L308-S310 PolarHBondContact O-N 3.18Å |
| 311 | Y | 88.6 | Confident | 90.8 | Very high | 100 Ų | 100 | 55.6 Ų | 55.6 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | trans | -126.4 | 136.9 | -172.6 | -61.9 | -77.6 | 0 | 0 | 0 | 112 | L307 L308 Y318 T356 | L307-Y311 HydrophobicContact CD1-CD2 4.22Å; L307-Y311 HydrophobicContact CD1-CE2 3.87Å; L307-Y311 WeakPolarHBondContact O-CD2 3.44Å; L308-Y311 PolarHBondContact O-N 3.42Å; Y311-Y318 HydrophobicContact CE2-CE1 4.43Å; Y311-T356 WeakPolarHBondContact O-CG2 3.44Å; Y311-T356 PolarHBondContact O-OG1 3.17Å | ||
| 312 | R | 86.7 | Confident | 90.8 | Very high | 211 Ų | 211 | 56.1 Ų | 56.1 | 80% | 0.796 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -73.1 | -40.5 | 172.8 | -175.8 | 176.5 | 177.6 | 174.4 | -1.5 | 112.2 | T356 | R312-T356 WeakPolarHBondContact CA-OG1 3.44Å; R312-T356 PolarHBondContact O-N 2.96Å; R312-T356 PolarHBondContact O-OG1 2.9Å; R312-T356 VanDerWaalsContact O-OG1 3.04Å |
| 313 | S | 89.1 | Confident | 90.8 | Very high | 70 Ų | 70 | 52.8 Ų | 52.8 | 49% | 0.49 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 141.3 | 177.4 | 54.7 | 0 | 0 | 0 | 0 | 108.9 | V354 | S313-V354 WeakPolarHBondContact CA-O 2.94Å |
| 314 | L | 91.9 | Very high | 90.8 | Very high | 12 Ų | 12 | 55.5 Ų | 55.5 | 6% | 0.063 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 154.2 | 176.3 | 52.8 | 127.4 | 0 | 0 | 0 | 109.8 | L308 M319 I353 V354 T356 | L308-L314 HydrophobicContact CD2-CD1 4.08Å; L308-L314 HydrophobicContact CD2-CD2 3.44Å; L308-L314 VanDerWaalsContact CD2-CD2 3.44Å; L308-L314 HydrophobicContact CD2-CG 4.3Å; L314-M319 HydrophobicContact CD1-CB 3.89Å; L314-M319 HydrophobicContact CD1-CG 4.26Å; L314-M319 HydrophobicContact CD1-SD 3.68Å; L314-I353 CarbonylContact O-C 3.5Å; L314-I353 WeakPolarHBondContact O-CA 3.44Å; L314-V354 HydrophobicContact CD1-CB 4.11Å; L314-V354 HydrophobicContact CD1-CG2 4.43Å; L314-V354 HydrophobicContact CG-CB 4.02Å; L314-V354 PolarHBondContact N-O 3.33Å; L314-V354 PolarHBondContact O-N 3.46Å; L314-T356 HydrophobicContact CD2-CG2 4.47Å |
| 315 | T | 92.7 | Very high | 90.8 | Very high | 72 Ų | 72 | 57.5 Ų | 57.5 | 44% | 0.442 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 146.7 | 173.8 | 57.8 | 0 | 0 | 0 | 0 | 110.8 | G317 Y318 M319 E352 | T315-G317 PolarHBondContact O-N 3.49Å; T315-Y318 PolarHBondContact O-N 3.32Å; T315-Y318 WeakPolarHBondContact OG1-CB 3.18Å; T315-Y318 PolarHBondContact OG1-N 2.82Å; T315-M319 PolarHBondContact O-N 2.86Å; T315-E352 CarbonylContact C-O 3.5Å; T315-E352 VanDerWaalsContact CA-O 3.29Å; T315-E352 WeakPolarHBondContact CA-O 3.43Å |
| 316 | L | 90.2 | Very high | 90.9 | Very high | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.5 | -36 | 174.9 | -75.2 | 171.7 | 0 | 0 | 0 | 111.4 | M319 A320 I330 L334 I347 E352 V354 | L316-M319 PolarHBondContact O-N 3.09Å; L316-A320 VanDerWaalsContact O-CB 3.32Å; L316-A320 WeakPolarHBondContact O-CB 3.47Å; L316-A320 PolarHBondContact O-N 3.06Å; L316-I330 HydrophobicContact CD2-CG2 4.06Å; L316-L334 HydrophobicContact CD2-CD1 4.44Å; L316-I347 HydrophobicContact CD1-CG2 4.05Å; L316-I347 HydrophobicContact CD2-CG2 4.43Å; L316-E352 HydrophobicContact CB-CB 4.33Å; L316-E352 HydrophobicContact CD1-CB 4.27Å; L316-E352 PolarHBondContact N-O 3.22Å; L316-V354 HydrophobicContact CD2-CG2 3.37Å; L316-V354 HydrophobicContact CG-CG2 3.9Å |
| 317 | G | 92.3 | Very high | 91 | Very high | 32 Ų | 32 | 59.7 Ų | 59.7 | 33% | 0.33 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | T315 M319 A320 E321 | T315-G317 PolarHBondContact O-N 3.49Å; G317-M319 VanDerWaalsContact C-N 3.33Å; G317-M319 PolarHBondContact O-N 3.37Å; G317-A320 PolarHBondContact O-N 3.27Å; G317-E321 PolarHBondContact O-N 2.94Å |
| 318 | Y | 91.9 | Very high | 91 | Very high | 102 Ų | 102 | 66 Ų | 66 | 40% | 0.4 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 176.6 | 172.8 | -107.3 | 0 | 0 | 0 | 111.8 | L307 Y311 T315 E321 A322 | L307-Y318 HydrophobicContact CD1-CE1 4.46Å; Y311-Y318 HydrophobicContact CE2-CE1 4.43Å; T315-Y318 PolarHBondContact O-N 3.32Å; T315-Y318 WeakPolarHBondContact OG1-CB 3.18Å; T315-Y318 PolarHBondContact OG1-N 2.82Å; Y318-E321 PolarHBondContact O-N 3.01Å; Y318-A322 WeakPolarHBondContact O-CB 3.25Å; Y318-A322 PolarHBondContact O-N 3.2Å |
| 319 | M | 91.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 177.1 | -170.7 | 165.9 | -178.1 | 0 | 0 | 111.4 | Y304 L307 L314 T315 L316 G317 E321 A322 F323 I330 L334 | Y304-M319 HydrophobicContact CD1-CE 3.15Å; Y304-M319 HydrophobicContact CE1-CE 3.59Å; Y304-M319 HydrophobicContact CG-CE 3.95Å; L307-M319 HydrophobicContact CD2-CG 3.99Å; L314-M319 HydrophobicContact CD1-CB 3.89Å; L314-M319 HydrophobicContact CD1-CG 4.26Å; L314-M319 HydrophobicContact CD1-SD 3.68Å; T315-M319 PolarHBondContact O-N 2.86Å; L316-M319 PolarHBondContact O-N 3.09Å; G317-M319 VanDerWaalsContact C-N 3.33Å; G317-M319 PolarHBondContact O-N 3.37Å; M319-E321 VanDerWaalsContact C-N 3.35Å; M319-E321 PolarHBondContact O-N 3.32Å; M319-A322 PolarHBondContact O-N 3.31Å; M319-F323 HydrophobicContact CE-CD2 4.42Å; M319-F323 HydrophobicContact CE-CE2 3.89Å; M319-F323 HydrophobicContact CG-CD2 3.83Å; M319-F323 HydrophobicContact CG-CE2 3.95Å; M319-F323 VanDerWaalsContact O-CD2 3.27Å; M319-F323 WeakPolarHBondContact O-CD2 3.47Å; M319-F323 PolarHBondContact O-N 2.98Å; M319-I330 HydrophobicContact CE-CG2 4.36Å; M319-I330 HydrophobicContact CG-CG2 4.22Å; M319-I330 HydrophobicContact SD-CG2 3.99Å; M319-L334 HydrophobicContact CE-CD1 3.96Å; M319-L334 HydrophobicContact CE-CD2 3.94Å; M319-L334 HydrophobicContact CE-CG 4.31Å; M319-L334 HydrophobicContact SD-CD1 3.87Å |
| 320 | A | 92.6 | Very high | 91.5 | Very high | 6 Ų | 6 | 62.5 Ų | 62.5 | 5% | 0.05 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L316 G317 F323 G324 V325 T327 | L316-A320 VanDerWaalsContact O-CB 3.32Å; L316-A320 WeakPolarHBondContact O-CB 3.47Å; L316-A320 PolarHBondContact O-N 3.06Å; G317-A320 PolarHBondContact O-N 3.27Å; A320-F323 PolarHBondContact O-N 3.5Å; A320-G324 WeakPolarHBondContact O-CA 3.38Å; A320-G324 PolarHBondContact O-N 3.04Å; A320-V325 CarbonylContact C-O 3.54Å; A320-V325 WeakPolarHBondContact CB-O 3.48Å; A320-V325 PolarHBondContact O-N 3.32Å; A320-T327 HydrophobicContact CB-CG2 3.75Å |
| 321 | E | 93.3 | Very high | 91.6 | Very high | 154 Ų | 154 | 60 Ų | 60 | 72% | 0.72 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.1 | -46 | 176.5 | -171.6 | 179.9 | -178.1 | 0 | 0 | 112.2 | G317 Y318 M319 F323 G324 | G317-E321 PolarHBondContact O-N 2.94Å; Y318-E321 PolarHBondContact O-N 3.01Å; M319-E321 VanDerWaalsContact C-N 3.35Å; M319-E321 PolarHBondContact O-N 3.32Å; E321-F323 VanDerWaalsContact C-N 3.32Å; E321-F323 PolarHBondContact O-N 2.85Å; E321-G324 PolarHBondContact O-N 3.05Å; E321-G324 VanDerWaalsContact O-N 3.09Å |
| 322 | A | 91.5 | Very high | 91.8 | Very high | 22 Ų | 22 | 61.6 Ų | 61.6 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y268 S269 Y318 M319 | Y268-A322 WeakPolarHBondContact CB-O 3.38Å; S269-A322 PolarHBondContact N-O 2.88Å; S269-A322 VanDerWaalsContact N-O 3.11Å; S269-A322 PolarHBondContact OG-O 2.95Å; Y318-A322 WeakPolarHBondContact O-CB 3.25Å; Y318-A322 PolarHBondContact O-N 3.2Å; M319-A322 PolarHBondContact O-N 3.31Å |
| 323 | F | 91.8 | Very high | 92 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -84.1 | -11.7 | 177 | -76.5 | -82.8 | 0 | 0 | 0 | 113.6 | Y268 S269 F272 A303 Y304 L307 M319 A320 E321 V325 I330 | Y268-F323 HydrophobicContact CD1-CD1 4.47Å; Y268-F323 AromaticContact CD1-CE1 3.66Å; Y268-F323 HydrophobicContact CD1-CE1 3.66Å; Y268-F323 AromaticContact CD1-CZ 3.81Å; Y268-F323 HydrophobicContact CD1-CZ 3.81Å; Y268-F323 HydrophobicContact CD2-CZ 4.4Å; Y268-F323 HydrophobicContact CE1-CZ 4.29Å; Y268-F323 HydrophobicContact CG-CD1 4.2Å; Y268-F323 AromaticContact CG-CE1 3.76Å; Y268-F323 HydrophobicContact CG-CE1 3.76Å; Y268-F323 HydrophobicContact CG-CE2 4.42Å; Y268-F323 AromaticContact CG-CZ 3.86Å; Y268-F323 HydrophobicContact CG-CZ 3.86Å; S269-F323 WeakPolarHBondContact CA-O 3.49Å; F272-F323 AromaticContact CD1-CD1 3.91Å; F272-F323 HydrophobicContact CD1-CD1 3.91Å; F272-F323 HydrophobicContact CD1-CE1 4.4Å; F272-F323 AromaticContact CE1-CD1 3.41Å; F272-F323 HydrophobicContact CE1-CD1 3.41Å; F272-F323 VanDerWaalsContact CE1-CD1 3.41Å; F272-F323 AromaticContact CE1-CE1 3.66Å; F272-F323 HydrophobicContact CE1-CE1 3.66Å; F272-F323 HydrophobicContact CE2-CD1 4.08Å; F272-F323 HydrophobicContact CG-CD1 4.47Å; F272-F323 AromaticContact CZ-CD1 3.51Å; F272-F323 HydrophobicContact CZ-CD1 3.51Å; F272-F323 AromaticContact CZ-CE1 3.97Å; F272-F323 HydrophobicContact CZ-CE1 3.97Å; F272-F323 HydrophobicContact CZ-CG 4.38Å; A303-F323 HydrophobicContact CB-CE1 4Å; A303-F323 HydrophobicContact CB-CZ 4.4Å; Y304-F323 HydrophobicContact CD1-CD2 4.32Å; Y304-F323 AromaticContact CD1-CE1 3.9Å; Y304-F323 HydrophobicContact CD1-CE1 3.9Å; Y304-F323 AromaticContact CD1-CE2 3.6Å; Y304-F323 HydrophobicContact CD1-CE2 3.6Å; Y304-F323 AromaticContact CD1-CZ 3.38Å; Y304-F323 HydrophobicContact CD1-CZ 3.38Å; Y304-F323 HydrophobicContact CE1-CD1 4.02Å; Y304-F323 AromaticContact CE1-CD2 3.95Å; Y304-F323 HydrophobicContact CE1-CD2 3.95Å; Y304-F323 AromaticContact CE1-CE1 3.76Å; Y304-F323 HydrophobicContact CE1-CE1 3.76Å; Y304-F323 AromaticContact CE1-CE2 3.69Å; Y304-F323 HydrophobicContact CE1-CE2 3.69Å; Y304-F323 HydrophobicContact CE1-CG 4.14Å; Y304-F323 AromaticContact CE1-CZ 3.62Å; Y304-F323 HydrophobicContact CE1-CZ 3.62Å; Y304-F323 HydrophobicContact CG-CZ 4.49Å; L307-F323 HydrophobicContact CB-CE2 4.46Å; L307-F323 HydrophobicContact CD2-CD2 4.33Å; L307-F323 HydrophobicContact CD2-CE2 3.56Å; L307-F323 HydrophobicContact CD2-CZ 4.4Å; M319-F323 HydrophobicContact CE-CD2 4.42Å; M319-F323 HydrophobicContact CE-CE2 3.89Å; M319-F323 HydrophobicContact CG-CD2 3.83Å; M319-F323 HydrophobicContact CG-CE2 3.95Å; M319-F323 VanDerWaalsContact O-CD2 3.27Å; M319-F323 WeakPolarHBondContact O-CD2 3.47Å; M319-F323 PolarHBondContact O-N 2.98Å; A320-F323 PolarHBondContact O-N 3.5Å; E321-F323 VanDerWaalsContact C-N 3.32Å; E321-F323 PolarHBondContact O-N 2.85Å; F323-V325 HydrophobicContact CB-CG2 3.79Å; F323-I330 HydrophobicContact CB-CD1 4.41Å; F323-I330 HydrophobicContact CD2-CD1 4.44Å |
| 324 | G | 91.8 | Very high | 92.1 | Very high | 57 Ų | 57 | 49.2 Ų | 49.2 | 59% | 0.588 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 33.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A320 E321 | A320-G324 WeakPolarHBondContact O-CA 3.38Å; A320-G324 PolarHBondContact O-N 3.04Å; E321-G324 PolarHBondContact O-N 3.05Å; E321-G324 VanDerWaalsContact O-N 3.09Å |
| 325 | V | 93.1 | Very high | 92 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -128.6 | 170.2 | -177 | -66.1 | 0 | 0 | 0 | 0 | 110.9 | F272 A320 F323 F329 I330 | F272-V325 HydrophobicContact CD2-CG1 3.9Å; F272-V325 HydrophobicContact CE2-CG1 4.2Å; A320-V325 CarbonylContact C-O 3.54Å; A320-V325 WeakPolarHBondContact CB-O 3.48Å; A320-V325 PolarHBondContact O-N 3.32Å; F323-V325 HydrophobicContact CB-CG2 3.79Å; V325-F329 HydrophobicContact CB-CD1 3.95Å; V325-F329 HydrophobicContact CG1-CD1 4.14Å; V325-F329 HydrophobicContact CG1-CE1 4.34Å; V325-F329 HydrophobicContact CG2-CD1 4.03Å; V325-I330 HydrophobicContact CG2-CD1 3.49Å; V325-I330 VanDerWaalsContact CG2-CD1 3.49Å; V325-I330 HydrophobicContact CG2-CG1 3.52Å |
| 326 | S | 93.4 | Very high | 92 | Very high | 69 Ų | 69 | 56.4 Ų | 56.4 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | trans | -74.3 | 154.2 | 176.1 | 65 | 0 | 0 | 0 | 0 | 112.3 | E328 F329 I330 | S326-E328 VanDerWaalsContact C-N 3.3Å; S326-E328 PolarHBondContact O-N 3.08Å; S326-F329 PolarHBondContact O-N 3.11Å; S326-F329 WeakPolarHBondContact OG-CB 3.49Å; S326-F329 PolarHBondContact OG-N 3.41Å; S326-I330 PolarHBondContact O-N 3Å | ||
| 327 | T | 91.4 | Very high | 92.1 | Very high | 60 Ų | 60 | 56.3 Ų | 56.3 | 37% | 0.368 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 175.1 | 49.3 | 0 | 0 | 0 | 0 | 111.9 | A320 F329 I330 D331 | A320-T327 HydrophobicContact CB-CG2 3.75Å; T327-F329 VanDerWaalsContact C-N 3.31Å; T327-F329 PolarHBondContact O-N 3.41Å; T327-I330 PolarHBondContact O-N 2.78Å; T327-D331 WeakPolarHBondContact O-CB 3.37Å; T327-D331 PolarHBondContact O-N 2.65Å |
| 328 | E | 92.7 | Very high | 92 | Very high | 139 Ų | 139 | 57.1 Ų | 57.1 | 65% | 0.65 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.4 | -39.1 | 176.3 | -64.6 | -178.7 | 171.5 | 0 | 0 | 112.6 | S326 D331 Q332 | S326-E328 VanDerWaalsContact C-N 3.3Å; S326-E328 PolarHBondContact O-N 3.08Å; E328-D331 PolarHBondContact O-N 3.06Å; E328-Q332 WeakPolarHBondContact O-CG 3.48Å; E328-Q332 PolarHBondContact O-N 3.02Å; E328-Q332 VanDerWaalsContact O-N 3.11Å |
| 329 | F | 92.9 | Very high | 91.8 | Very high | 73 Ų | 73 | 56.5 Ų | 56.5 | 32% | 0.32 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.8 | -44.7 | 178.7 | -179.6 | -95.1 | 0 | 0 | 0 | 111.3 | F272 V325 S326 T327 D331 Q332 E333 | F272-F329 HydrophobicContact CE2-CE1 4.27Å; V325-F329 HydrophobicContact CB-CD1 3.95Å; V325-F329 HydrophobicContact CG1-CD1 4.14Å; V325-F329 HydrophobicContact CG1-CE1 4.34Å; V325-F329 HydrophobicContact CG2-CD1 4.03Å; S326-F329 PolarHBondContact O-N 3.11Å; S326-F329 WeakPolarHBondContact OG-CB 3.49Å; S326-F329 PolarHBondContact OG-N 3.41Å; T327-F329 VanDerWaalsContact C-N 3.31Å; T327-F329 PolarHBondContact O-N 3.41Å; F329-D331 VanDerWaalsContact C-N 3.35Å; F329-D331 PolarHBondContact O-N 3.23Å; F329-Q332 PolarHBondContact O-N 3.19Å; F329-E333 HydrophobicContact CE1-CG 4.06Å; F329-E333 WeakPolarHBondContact CE1-OE2 3.22Å; F329-E333 HydrophobicContact CE2-CG 4.48Å; F329-E333 HydrophobicContact CZ-CG 4.04Å; F329-E333 VanDerWaalsContact CZ-OE2 3.24Å; F329-E333 WeakPolarHBondContact CZ-OE2 3Å; F329-E333 PolarHBondContact O-N 2.67Å |
| 330 | I | 92.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 175.7 | -67.7 | -64.3 | 0 | 0 | 0 | 111.3 | Y304 L316 M319 F323 V325 S326 T327 Q332 E333 L334 | Y304-I330 HydrophobicContact CE1-CD1 3.74Å; Y304-I330 WeakPolarHBondContact OH-CD1 3.38Å; L316-I330 HydrophobicContact CD2-CG2 4.06Å; M319-I330 HydrophobicContact CE-CG2 4.36Å; M319-I330 HydrophobicContact CG-CG2 4.22Å; M319-I330 HydrophobicContact SD-CG2 3.99Å; F323-I330 HydrophobicContact CB-CD1 4.41Å; F323-I330 HydrophobicContact CD2-CD1 4.44Å; V325-I330 HydrophobicContact CG2-CD1 3.49Å; V325-I330 VanDerWaalsContact CG2-CD1 3.49Å; V325-I330 HydrophobicContact CG2-CG1 3.52Å; S326-I330 PolarHBondContact O-N 3Å; T327-I330 PolarHBondContact O-N 2.78Å; I330-Q332 PolarHBondContact O-N 3.38Å; I330-E333 PolarHBondContact O-N 3.27Å; I330-L334 HydrophobicContact CG2-CD1 3.51Å; I330-L334 HydrophobicContact CG2-CG 3.97Å; I330-L334 VanDerWaalsContact O-CB 3.31Å; I330-L334 WeakPolarHBondContact O-CB 3.47Å; I330-L334 VanDerWaalsContact O-CG 3.31Å; I330-L334 WeakPolarHBondContact O-CG 3.49Å; I330-L334 PolarHBondContact O-N 3.34Å |
| 331 | D | 91.1 | Very high | 91.3 | Very high | 31 Ų | 31 | 61.5 Ų | 61.5 | 17% | 0.166 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 178.2 | -172 | 37.2 | 0 | 0 | 0 | 111.6 | T327 E328 F329 S335 K349 | T327-D331 WeakPolarHBondContact O-CB 3.37Å; T327-D331 PolarHBondContact O-N 2.65Å; E328-D331 PolarHBondContact O-N 3.06Å; F329-D331 VanDerWaalsContact C-N 3.35Å; F329-D331 PolarHBondContact O-N 3.23Å; D331-S335 WeakPolarHBondContact O-CB 3.48Å; D331-S335 PolarHBondContact O-N 3.02Å; D331-S335 PolarHBondContact O-OG 2.93Å; D331-K349 IonicContact OD2-NZ 2.73Å; D331-K349 PolarHBondContact OD2-NZ 3.2Å |
| 332 | Q | 91.9 | Very high | 90.9 | Very high | 132 Ų | 132 | 60.4 Ų | 60.4 | 62% | 0.617 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66 | -41.6 | 177.1 | -70.4 | 178 | 18.8 | 0 | 0 | 113 | E328 F329 I330 S335 R336 | E328-Q332 WeakPolarHBondContact O-CG 3.48Å; E328-Q332 PolarHBondContact O-N 3.02Å; E328-Q332 VanDerWaalsContact O-N 3.11Å; F329-Q332 PolarHBondContact O-N 3.19Å; I330-Q332 PolarHBondContact O-N 3.38Å; Q332-S335 PolarHBondContact O-OG 3.18Å; Q332-R336 PolarHBondContact O-N 3.25Å |
| 333 | E | 91.3 | Very high | 90.7 | Very high | 21 Ų | 21 | 59.7 Ų | 59.7 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71 | -47.5 | 179.4 | -74.1 | -147.6 | 103.5 | 0 | 0 | 112.3 | R300 Y304 F329 I330 S335 R336 F337 | R300-E333 WeakPolarHBondContact CD-OE1 3.21Å; R300-E333 IonicContact CZ-OE1 3.92Å; R300-E333 IonicContact NE-OE1 3.16Å; R300-E333 IonicContact NH1-OE1 2.7Å; R300-E333 PolarHBondContact NH1-OE1 3.21Å; R300-E333 IonicContact NH1-OE2 3.82Å; Y304-E333 HydrophobicContact CE2-CB 4.33Å; Y304-E333 PolarHBondContact OH-OE2 2.63Å; F329-E333 HydrophobicContact CE1-CG 4.06Å; F329-E333 WeakPolarHBondContact CE1-OE2 3.22Å; F329-E333 HydrophobicContact CE2-CG 4.48Å; F329-E333 HydrophobicContact CZ-CG 4.04Å; F329-E333 VanDerWaalsContact CZ-OE2 3.24Å; F329-E333 WeakPolarHBondContact CZ-OE2 3Å; F329-E333 PolarHBondContact O-N 2.67Å; I330-E333 PolarHBondContact O-N 3.27Å; E333-S335 PolarHBondContact O-N 3.01Å; E333-R336 PolarHBondContact O-N 3.1Å; E333-F337 HydrophobicContact CB-CE2 4.19Å; E333-F337 WeakPolarHBondContact O-CD2 3.01Å; E333-F337 WeakPolarHBondContact O-CG 3.17Å; E333-F337 PolarHBondContact O-N 2.93Å; E333-F337 VanDerWaalsContact O-N 3.09Å |
| 334 | L | 90.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 180 | -70.6 | 180 | 0 | 0 | 0 | 111.3 | Y304 L316 M319 I330 R336 F337 I338 L343 I347 V354 | Y304-L334 HydrophobicContact CD2-CD2 4.23Å; Y304-L334 HydrophobicContact CG-CD2 4.18Å; L316-L334 HydrophobicContact CD2-CD1 4.44Å; M319-L334 HydrophobicContact CE-CD1 3.96Å; M319-L334 HydrophobicContact CE-CD2 3.94Å; M319-L334 HydrophobicContact CE-CG 4.31Å; M319-L334 HydrophobicContact SD-CD1 3.87Å; I330-L334 HydrophobicContact CG2-CD1 3.51Å; I330-L334 HydrophobicContact CG2-CG 3.97Å; I330-L334 VanDerWaalsContact O-CB 3.31Å; I330-L334 WeakPolarHBondContact O-CB 3.47Å; I330-L334 VanDerWaalsContact O-CG 3.31Å; I330-L334 WeakPolarHBondContact O-CG 3.49Å; I330-L334 PolarHBondContact O-N 3.34Å; L334-R336 VanDerWaalsContact C-N 3.28Å; L334-R336 PolarHBondContact O-N 2.84Å; L334-F337 PolarHBondContact O-N 3.36Å; L334-F337 VanDerWaalsContact O-N 3.1Å; L334-I338 HydrophobicContact CB-CD1 4.24Å; L334-I338 WeakPolarHBondContact O-CB 3.22Å; L334-I338 WeakPolarHBondContact O-CD1 3.49Å; L334-I338 WeakPolarHBondContact O-CG1 3.26Å; L334-I338 PolarHBondContact O-N 3.45Å; L334-L343 HydrophobicContact CD2-CD1 3.54Å; L334-I347 HydrophobicContact CB-CD1 3.58Å; L334-I347 HydrophobicContact CD1-CD1 4.2Å; L334-V354 HydrophobicContact CD1-CG2 4.31Å |
| 335 | S | 90.6 | Very high | 90.2 | Very high | 57 Ų | 57 | 61.2 Ų | 61.2 | 40% | 0.399 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.9 | -42.2 | 177.6 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | D331 Q332 E333 A339 | D331-S335 WeakPolarHBondContact O-CB 3.48Å; D331-S335 PolarHBondContact O-N 3.02Å; D331-S335 PolarHBondContact O-OG 2.93Å; Q332-S335 PolarHBondContact O-OG 3.18Å; E333-S335 PolarHBondContact O-N 3.01Å; S335-A339 VanDerWaalsContact O-CB 3.24Å; S335-A339 WeakPolarHBondContact O-CB 3.42Å; S335-A339 PolarHBondContact O-N 3.46Å |
| 336 | R | 92.4 | Very high | 90.1 | Very high | 178 Ų | 178 | 65.7 Ų | 65.7 | 67% | 0.672 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.6 | -43.3 | 175.2 | -174.2 | -178.9 | 179.4 | 179.3 | 2.2 | 112.5 | Q332 E333 L334 A340 | Q332-R336 PolarHBondContact O-N 3.25Å; E333-R336 PolarHBondContact O-N 3.1Å; L334-R336 VanDerWaalsContact C-N 3.28Å; L334-R336 PolarHBondContact O-N 2.84Å; R336-A340 WeakPolarHBondContact O-CB 3.35Å; R336-A340 PolarHBondContact O-N 3.5Å |
| 337 | F | 92.4 | Very high | 89.9 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -75.4 | -32.7 | -178.3 | -65.2 | -41.3 | 0 | 0 | 0 | 113.7 | R297 R300 I301 Y304 E333 L334 A340 G341 R342 L343 | R297-F337 HydrophobicContact CG-CE1 3.61Å; R297-F337 HydrophobicContact CG-CZ 4.04Å; R300-F337 HydrophobicContact CB-CE2 4.35Å; R300-F337 HydrophobicContact CB-CZ 4.41Å; I301-F337 HydrophobicContact CD1-CD1 3.79Å; I301-F337 HydrophobicContact CD1-CE1 3.83Å; I301-F337 HydrophobicContact CD1-CG 4.45Å; I301-F337 HydrophobicContact CD1-CZ 4.48Å; I301-F337 HydrophobicContact CG1-CD1 3.7Å; I301-F337 HydrophobicContact CG1-CD2 4.12Å; I301-F337 HydrophobicContact CG1-CE1 3.73Å; I301-F337 HydrophobicContact CG1-CE2 4.14Å; I301-F337 HydrophobicContact CG1-CG 3.91Å; I301-F337 HydrophobicContact CG1-CZ 3.95Å; Y304-F337 HydrophobicContact CD2-CD2 4.14Å; Y304-F337 HydrophobicContact CD2-CE2 4.08Å; Y304-F337 HydrophobicContact CE2-CD2 4.32Å; Y304-F337 AromaticContact CE2-CE2 3.95Å; Y304-F337 HydrophobicContact CE2-CE2 3.95Å; E333-F337 HydrophobicContact CB-CE2 4.19Å; E333-F337 WeakPolarHBondContact O-CD2 3.01Å; E333-F337 WeakPolarHBondContact O-CG 3.17Å; E333-F337 PolarHBondContact O-N 2.93Å; E333-F337 VanDerWaalsContact O-N 3.09Å; L334-F337 PolarHBondContact O-N 3.36Å; L334-F337 VanDerWaalsContact O-N 3.1Å; F337-A340 PolarHBondContact O-N 3.21Å; F337-G341 PolarHBondContact O-N 3.5Å; F337-R342 PolarHBondContact O-N 3.43Å; F337-L343 HydrophobicContact CB-CB 4.33Å; F337-L343 HydrophobicContact CB-CD1 3.65Å; F337-L343 HydrophobicContact CB-CG 3.9Å; F337-L343 HydrophobicContact CD2-CD1 4.02Å; F337-L343 HydrophobicContact CG-CD1 4.24Å; F337-L343 PolarHBondContact O-N 3.13Å |
| 338 | I | 89.9 | Confident | 89.9 | Confident | 48 Ų | 48 | 64.7 Ų | 64.7 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.8 | -45.6 | 172.6 | -65.5 | 163 | 0 | 0 | 0 | 109.5 | L334 A340 G341 L343 C345 I347 | L334-I338 HydrophobicContact CB-CD1 4.24Å; L334-I338 WeakPolarHBondContact O-CB 3.22Å; L334-I338 WeakPolarHBondContact O-CD1 3.49Å; L334-I338 WeakPolarHBondContact O-CG1 3.26Å; L334-I338 PolarHBondContact O-N 3.45Å; I338-A340 VanDerWaalsContact C-N 3.26Å; I338-A340 PolarHBondContact O-N 3.12Å; I338-G341 WeakPolarHBondContact O-CA 3.36Å; I338-G341 PolarHBondContact O-N 3.21Å; I338-L343 HydrophobicContact CG1-CB 4.34Å; I338-C345 WeakPolarHBondContact CD1-O 3.23Å; I338-C345 VanDerWaalsContact CD1-SG 3.58Å; I338-C345 WeakPolarHBondContact CG2-O 3.26Å; I338-I347 HydrophobicContact CD1-CD1 3.72Å; I338-I347 HydrophobicContact CD1-CG1 3.68Å |
| 339 | A | 89 | Confident | 89.6 | Confident | 90 Ų | 90 | 64.8 Ų | 64.8 | 74% | 0.744 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61 | -36.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S335 G341 | S335-A339 VanDerWaalsContact O-CB 3.24Å; S335-A339 WeakPolarHBondContact O-CB 3.42Å; S335-A339 PolarHBondContact O-N 3.46Å; A339-G341 PolarHBondContact O-N 3Å |
| 340 | A | 88.1 | Confident | 89.3 | Confident | 68 Ų | 68 | 67.6 Ų | 67.6 | 56% | 0.562 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -6.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.9 | R336 F337 I338 R342 | R336-A340 WeakPolarHBondContact O-CB 3.35Å; R336-A340 PolarHBondContact O-N 3.5Å; F337-A340 PolarHBondContact O-N 3.21Å; I338-A340 VanDerWaalsContact C-N 3.26Å; I338-A340 PolarHBondContact O-N 3.12Å; A340-R342 VanDerWaalsContact C-N 3.26Å; A340-R342 HydrophobicContact CB-CG 4.07Å; A340-R342 PolarHBondContact O-N 2.84Å |
| 341 | G | 84.5 | Confident | 89.1 | Confident | 43 Ų | 43 | 72.5 Ų | 72.5 | 44% | 0.443 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 23.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F337 I338 A339 | F337-G341 PolarHBondContact O-N 3.5Å; I338-G341 WeakPolarHBondContact O-CA 3.36Å; I338-G341 PolarHBondContact O-N 3.21Å; A339-G341 PolarHBondContact O-N 3Å |
| 342 | R | 86.2 | Confident | 89 | Confident | 131 Ų | 131 | 76 Ų | 76 | 49% | 0.494 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -90.9 | -27.1 | 179.4 | -62 | -67.7 | -74.6 | -175.6 | -3 | 112.6 | E298 I301 F337 A340 | E298-R342 IonicContact OE1-NH2 3.7Å; E298-R342 IonicContact OE2-CZ 2.63Å; E298-R342 IonicContact OE2-NE 2.72Å; E298-R342 IonicContact OE2-NH2 2.82Å; E298-R342 PolarHBondContact OE2-NH2 2.98Å; I301-R342 HydrophobicContact CD1-CB 4.01Å; I301-R342 HydrophobicContact CD1-CG 4.2Å; I301-R342 HydrophobicContact CG2-CB 4.36Å; F337-R342 PolarHBondContact O-N 3.43Å; A340-R342 VanDerWaalsContact C-N 3.26Å; A340-R342 HydrophobicContact CB-CG 4.07Å; A340-R342 PolarHBondContact O-N 2.84Å |
| 343 | L | 87.1 | Confident | 89 | Confident | 6 Ų | 6 | 72.4 Ų | 72.4 | 3% | 0.031 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -114.4 | 132.9 | 172.4 | -69 | 177.1 | 0 | 0 | 0 | 109.6 | I301 Y304 L308 L334 F337 I338 C345 | I301-L343 HydrophobicContact CG2-CD2 4.02Å; I301-L343 HydrophobicContact CG2-CG 4.43Å; Y304-L343 HydrophobicContact CD2-CD1 4.31Å; L308-L343 HydrophobicContact CD1-CD2 4.37Å; L334-L343 HydrophobicContact CD2-CD1 3.54Å; F337-L343 HydrophobicContact CB-CB 4.33Å; F337-L343 HydrophobicContact CB-CD1 3.65Å; F337-L343 HydrophobicContact CB-CG 3.9Å; F337-L343 HydrophobicContact CD2-CD1 4.02Å; F337-L343 HydrophobicContact CG-CD1 4.24Å; F337-L343 PolarHBondContact O-N 3.13Å; I338-L343 HydrophobicContact CG1-CB 4.34Å; L343-C345 PolarHBondContact O-N 2.98Å |
| 344 | H | 85.4 | Confident | 88.9 | Confident | 86 Ų | 86 | 71.4 Ų | 71.4 | 40% | 0.398 | 38% | 0.379 | S | S | . | . | trans | -98.5 | 64.5 | 179.6 | -58.3 | -59 | 0 | 0 | 0 | 110.6 | N357 P359 | H344-N357 VanDerWaalsContact CB-O 3.28Å; H344-N357 WeakPolarHBondContact CB-O 3.35Å; H344-N357 PolarHBondContact O-N 3.22Å; H344-P359 HydrophobicContact CB-CG 4.22Å | ||
| 345 | C | 87.9 | Confident | 88.8 | Confident | 5 Ų | 5 | 76.9 Ų | 76.9 | 3% | 0.034 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 162.3 | 173.9 | 57.2 | 0 | 0 | 0 | 0 | 110.8 | L308 I338 L343 V354 E355 T356 | L308-C345 HydrophobicContact CD1-CB 4.18Å; I338-C345 WeakPolarHBondContact CD1-O 3.23Å; I338-C345 VanDerWaalsContact CD1-SG 3.58Å; I338-C345 WeakPolarHBondContact CG2-O 3.26Å; L343-C345 PolarHBondContact O-N 2.98Å; C345-V354 HydrophobicContact CB-CG1 3.81Å; C345-E355 CarbonylContact C-O 3.59Å; C345-E355 VanDerWaalsContact CA-O 3.24Å; C345-E355 WeakPolarHBondContact CA-O 3.26Å; C345-E355 WeakPolarHBondContact CB-O 3.47Å; C345-T356 HydrophobicContact CB-CG2 4.39Å |
| 346 | K | 89.4 | Confident | 88.6 | Confident | 135 Ų | 135 | 75.5 Ų | 75.5 | 59% | 0.587 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.2 | 172.9 | -65.4 | -178.8 | -179.2 | 178.5 | 0 | 107.9 | V354 E355 | K346-V354 WeakPolarHBondContact O-CA 3.33Å; K346-E355 PolarHBondContact N-O 3.45Å; K346-E355 PolarHBondContact O-N 2.79Å |
| 347 | I | 90 | Very high | 88.1 | Confident | 44 Ų | 44 | 71.3 Ų | 71.3 | 23% | 0.226 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.9 | 177.8 | -53.3 | 173.7 | 0 | 0 | 0 | 107.4 | L316 L334 I338 V354 | L316-I347 HydrophobicContact CD1-CG2 4.05Å; L316-I347 HydrophobicContact CD2-CG2 4.43Å; L334-I347 HydrophobicContact CB-CD1 3.58Å; L334-I347 HydrophobicContact CD1-CD1 4.2Å; I338-I347 HydrophobicContact CD1-CD1 3.72Å; I338-I347 HydrophobicContact CD1-CG1 3.68Å; I347-V354 HydrophobicContact CG1-CG2 4.37Å |
| 348 | D | 90.9 | Very high | 87.1 | Confident | 64 Ų | 64 | 79.7 Ų | 79.7 | 34% | 0.342 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 104.6 | 163.4 | -176.8 | -9.7 | 0 | 0 | 0 | 108.3 | V350 N351 E352 I353 | D348-V350 VanDerWaalsContact C-N 3.35Å; D348-V350 PolarHBondContact OD1-N 3.04Å; D348-N351 PolarHBondContact OD1-N 3.47Å; D348-N351 PolarHBondContact OD2-ND2 3Å; D348-E352 CarbonylContact O-C 3.57Å; D348-E352 VanDerWaalsContact O-CA 3.29Å; D348-E352 WeakPolarHBondContact O-CA 3.43Å; D348-E352 PolarHBondContact O-N 3.46Å; D348-I353 PolarHBondContact N-O 2.96Å; D348-I353 PolarHBondContact O-N 3.02Å |
| 349 | K | 86.7 | Confident | 85.9 | Confident | 142 Ų | 142 | 79.7 Ų | 79.7 | 62% | 0.617 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -23.5 | -177.4 | -172 | 163 | -175.3 | 158.3 | 0 | 113.2 | D331 | D331-K349 IonicContact OD2-NZ 2.73Å; D331-K349 PolarHBondContact OD2-NZ 3.2Å |
| 350 | V | 88 | Confident | 85.1 | Confident | 131 Ų | 131 | 81.6 Ų | 81.6 | 79% | 0.794 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -42.7 | -179.2 | 179.4 | 0 | 0 | 0 | 0 | 110 | D348 | D348-V350 VanDerWaalsContact C-N 3.35Å; D348-V350 PolarHBondContact OD1-N 3.04Å |
| 351 | N | 86.4 | Confident | 84.6 | Confident | 103 Ų | 103 | 82.1 Ų | 82.1 | 55% | 0.551 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -4.2 | 179.1 | -63.7 | -51.9 | 0 | 0 | 0 | 113.2 | D348 I353 | D348-N351 PolarHBondContact OD1-N 3.47Å; D348-N351 PolarHBondContact OD2-ND2 3Å; N351-I353 VanDerWaalsContact C-N 3.26Å; N351-I353 HydrophobicContact CB-CD1 3.87Å; N351-I353 HydrophobicContact CB-CG1 4.13Å; N351-I353 WeakPolarHBondContact O-CG1 3.39Å; N351-I353 PolarHBondContact O-N 2.91Å |
| 352 | E | 89.8 | Confident | 84.6 | Confident | 105 Ų | 105 | 88.1 Ų | 88.1 | 49% | 0.491 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 37.7 | -173.8 | -58.7 | -172.3 | 164.2 | 0 | 0 | 113.6 | T315 L316 D348 | T315-E352 CarbonylContact C-O 3.5Å; T315-E352 VanDerWaalsContact CA-O 3.29Å; T315-E352 WeakPolarHBondContact CA-O 3.43Å; L316-E352 HydrophobicContact CB-CB 4.33Å; L316-E352 HydrophobicContact CD1-CB 4.27Å; L316-E352 PolarHBondContact N-O 3.22Å; D348-E352 CarbonylContact O-C 3.57Å; D348-E352 VanDerWaalsContact O-CA 3.29Å; D348-E352 WeakPolarHBondContact O-CA 3.43Å; D348-E352 PolarHBondContact O-N 3.46Å |
| 353 | I | 91.4 | Very high | 84.4 | Confident | 56 Ų | 56 | 85.8 Ų | 85.8 | 29% | 0.287 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 135.2 | -178.3 | -62.8 | 167.8 | 0 | 0 | 0 | 109.8 | L314 D348 N351 E355 | L314-I353 CarbonylContact O-C 3.5Å; L314-I353 WeakPolarHBondContact O-CA 3.44Å; D348-I353 PolarHBondContact N-O 2.96Å; D348-I353 PolarHBondContact O-N 3.02Å; N351-I353 VanDerWaalsContact C-N 3.26Å; N351-I353 HydrophobicContact CB-CD1 3.87Å; N351-I353 HydrophobicContact CB-CG1 4.13Å; N351-I353 WeakPolarHBondContact O-CG1 3.39Å; N351-I353 PolarHBondContact O-N 2.91Å; I353-E355 HydrophobicContact CG2-CG 4.08Å |
| 354 | V | 90.1 | Very high | 84 | Confident | 0 Ų | 0 | 91.7 Ų | 91.7 | 0% | 0 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 115.9 | 167.6 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | L308 S313 L314 L316 L334 C345 K346 I347 | L308-V354 HydrophobicContact CD2-CG1 3.99Å; S313-V354 WeakPolarHBondContact CA-O 2.94Å; L314-V354 HydrophobicContact CD1-CB 4.11Å; L314-V354 HydrophobicContact CD1-CG2 4.43Å; L314-V354 HydrophobicContact CG-CB 4.02Å; L314-V354 PolarHBondContact N-O 3.33Å; L314-V354 PolarHBondContact O-N 3.46Å; L316-V354 HydrophobicContact CD2-CG2 3.37Å; L316-V354 HydrophobicContact CG-CG2 3.9Å; L334-V354 HydrophobicContact CD1-CG2 4.31Å; C345-V354 HydrophobicContact CB-CG1 3.81Å; K346-V354 WeakPolarHBondContact O-CA 3.33Å; I347-V354 HydrophobicContact CG1-CG2 4.37Å |
| 355 | E | 89 | Confident | 84 | Confident | 116 Ų | 116 | 92.3 Ų | 92.3 | 54% | 0.542 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 130.1 | 174.5 | -67 | -169.4 | 158.9 | 0 | 0 | 110.1 | C345 K346 I353 | C345-E355 CarbonylContact C-O 3.59Å; C345-E355 VanDerWaalsContact CA-O 3.24Å; C345-E355 WeakPolarHBondContact CA-O 3.26Å; C345-E355 WeakPolarHBondContact CB-O 3.47Å; K346-E355 PolarHBondContact N-O 3.45Å; K346-E355 PolarHBondContact O-N 2.79Å; I353-E355 HydrophobicContact CG2-CG 4.08Å |
| 356 | T | 86.6 | Confident | 84 | Confident | 27 Ų | 27 | 99.4 Ų | 99.4 | 17% | 0.166 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 129.8 | 176.1 | 59.3 | 0 | 0 | 0 | 0 | 109.9 | L308 Y311 R312 L314 C345 | L308-T356 HydrophobicContact CB-CG2 3.8Å; L308-T356 HydrophobicContact CD2-CG2 3.92Å; L308-T356 HydrophobicContact CG-CG2 4.36Å; L308-T356 WeakPolarHBondContact O-CG2 2.99Å; Y311-T356 WeakPolarHBondContact O-CG2 3.44Å; Y311-T356 PolarHBondContact O-OG1 3.17Å; R312-T356 WeakPolarHBondContact CA-OG1 3.44Å; R312-T356 PolarHBondContact O-N 2.96Å; R312-T356 PolarHBondContact O-OG1 2.9Å; R312-T356 VanDerWaalsContact O-OG1 3.04Å; L314-T356 HydrophobicContact CD2-CG2 4.47Å; C345-T356 HydrophobicContact CB-CG2 4.39Å |
| 357 | N | 81.2 | Confident | 83.8 | Confident | 91 Ų | 91 | 97.6 Ų | 97.6 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -101.2 | 122.8 | 171.6 | -172.2 | 7.5 | 0 | 0 | 0 | 107.2 | H344 P359 | H344-N357 VanDerWaalsContact CB-O 3.28Å; H344-N357 WeakPolarHBondContact CB-O 3.35Å; H344-N357 PolarHBondContact O-N 3.22Å; N357-P359 WeakPolarHBondContact O-CD 3.25Å |
| 358 | R | 71.2 | Confident | 83.6 | Confident | 182 Ų | 182 | 98.5 Ų | 98.5 | 69% | 0.687 | 48% | 0.477 | S | S | * | . | trans | -92.1 | 97.7 | 174.9 | -68.2 | -178.3 | 177.9 | 178.7 | -3.7 | 107.6 | E309 D360 | E309-R358 PolarHBondContact O-NH2 3.05Å; R358-D360 PolarHBondContact O-N 3.38Å | ||
| 359 | P | 65.5 | Low | 83.6 | Confident | 48 Ų | 48 | 99.9 Ų | 99.9 | 31% | 0.312 | 49% | 0.487 | S | S | . | . | trans | -65 | 137.4 | 175.8 | 28.1 | -34.6 | 0 | 0 | 0 | 109.4 | H344 N357 S361 | H344-P359 HydrophobicContact CB-CG 4.22Å; N357-P359 WeakPolarHBondContact O-CD 3.25Å; P359-S361 PolarHBondContact O-N 3.06Å | ||
| 360 | D | 71.4 | Confident | 83.8 | Confident | 130 Ų | 130 | 96.8 Ų | 96.8 | 70% | 0.695 | 48% | 0.477 | S | S | * | . | trans | -57.4 | 137.2 | 171.2 | -80.9 | -39.1 | 0 | 0 | 0 | 110.5 | R358 K362 N363 W364 | R358-D360 PolarHBondContact O-N 3.38Å; D360-K362 PolarHBondContact O-N 3.34Å; D360-K362 VanDerWaalsContact O-N 3.09Å; D360-N363 WeakPolarHBondContact O-CB 3.47Å; D360-N363 PolarHBondContact O-N 3.26Å; D360-W364 PolarHBondContact O-N 3.01Å | ||
| 361 | S | 78.6 | Confident | 83.9 | Confident | 79 Ų | 79 | 97.6 Ų | 97.6 | 55% | 0.552 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -50.4 | -38.2 | 178.6 | 179.7 | 0 | 0 | 0 | 0 | 112.4 | P359 N363 W364 Q365 | P359-S361 PolarHBondContact O-N 3.06Å; S361-N363 PolarHBondContact O-N 2.94Å; S361-W364 PolarHBondContact O-N 3.48Å; S361-Q365 WeakPolarHBondContact O-CG 3.44Å; S361-Q365 PolarHBondContact O-N 3.24Å |
| 362 | K | 83.9 | Confident | 84.1 | Confident | 169 Ų | 169 | 98.8 Ų | 98.8 | 74% | 0.735 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.9 | -38.7 | 177 | -69.9 | -173.2 | 178.2 | -179.3 | 0 | 113.2 | D360 Q365 Y366 | D360-K362 PolarHBondContact O-N 3.34Å; D360-K362 VanDerWaalsContact O-N 3.09Å; K362-Q365 PolarHBondContact O-N 3.26Å; K362-Y366 WeakPolarHBondContact O-CB 3.42Å; K362-Y366 PolarHBondContact O-N 2.88Å |
| 363 | N | 82.6 | Confident | 84.3 | Confident | 82 Ų | 82 | 95.1 Ų | 95.1 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.9 | -39.6 | -179.7 | -169.7 | 27.4 | 0 | 0 | 0 | 110.9 | D360 S361 Y366 Q367 | D360-N363 WeakPolarHBondContact O-CB 3.47Å; D360-N363 PolarHBondContact O-N 3.26Å; S361-N363 PolarHBondContact O-N 2.94Å; N363-Y366 PolarHBondContact O-N 3.2Å; N363-Q367 PolarHBondContact O-N 2.91Å |
| 364 | W | 78.6 | Confident | 84.4 | Confident | 130 Ų | 130 | 96.5 Ų | 96.5 | 49% | 0.492 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.3 | -49 | 173.7 | 179 | 83.3 | 0 | 0 | 0 | 111.9 | D360 S361 Y366 Q367 E368 | D360-W364 PolarHBondContact O-N 3.01Å; S361-W364 PolarHBondContact O-N 3.48Å; W364-Y366 VanDerWaalsContact C-N 3.31Å; W364-Y366 PolarHBondContact O-N 3.25Å; W364-Q367 PolarHBondContact O-N 3.31Å; W364-E368 WeakPolarHBondContact CH2-OE2 3.34Å; W364-E368 WeakPolarHBondContact CZ3-OE2 3.44Å; W364-E368 PolarHBondContact O-N 3.37Å |
| 365 | Q | 85.3 | Confident | 84.5 | Confident | 100 Ų | 100 | 101.6 Ų | 101.6 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 176.8 | -72 | 176.8 | -3.7 | 0 | 0 | 112.2 | S361 K362 E368 T369 | S361-Q365 WeakPolarHBondContact O-CG 3.44Å; S361-Q365 PolarHBondContact O-N 3.24Å; K362-Q365 PolarHBondContact O-N 3.26Å; Q365-E368 PolarHBondContact O-N 3.38Å; Q365-T369 WeakPolarHBondContact O-CB 3.4Å; Q365-T369 PolarHBondContact O-N 3.39Å; Q365-T369 PolarHBondContact O-OG1 3.07Å |
| 366 | Y | 87.7 | Confident | 84.8 | Confident | 154 Ų | 154 | 101.3 Ų | 101.3 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.9 | -50.3 | 176.8 | 178.3 | -106.1 | 0 | 0 | 0 | 111.4 | K362 N363 W364 E368 T369 I370 | K362-Y366 WeakPolarHBondContact O-CB 3.42Å; K362-Y366 PolarHBondContact O-N 2.88Å; N363-Y366 PolarHBondContact O-N 3.2Å; W364-Y366 VanDerWaalsContact C-N 3.31Å; W364-Y366 PolarHBondContact O-N 3.25Å; Y366-E368 VanDerWaalsContact C-N 3.33Å; Y366-E368 PolarHBondContact O-N 3.5Å; Y366-T369 PolarHBondContact O-N 3.44Å; Y366-I370 HydrophobicContact CE1-CG1 4.3Å; Y366-I370 HydrophobicContact CE2-CD1 4.33Å; Y366-I370 HydrophobicContact CE2-CG1 4.31Å; Y366-I370 WeakPolarHBondContact O-CG1 3.46Å; Y366-I370 PolarHBondContact O-N 3.1Å |
| 367 | Q | 84.4 | Confident | 85.2 | Confident | 97 Ų | 97 | 105.4 Ų | 105.4 | 45% | 0.453 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 176.3 | -77.7 | -173 | -10.8 | 0 | 0 | 112.8 | N363 W364 T369 K371 | N363-Q367 PolarHBondContact O-N 2.91Å; W364-Q367 PolarHBondContact O-N 3.31Å; Q367-T369 VanDerWaalsContact C-N 3.34Å; Q367-K371 WeakPolarHBondContact O-CG 3.39Å; Q367-K371 PolarHBondContact O-N 3.33Å; Q367-K371 VanDerWaalsContact O-N 3.09Å |
| 368 | E | 85.4 | Confident | 85.8 | Confident | 63 Ų | 63 | 106 Ų | 106 | 29% | 0.294 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 176.8 | -168.1 | -176.8 | -173.4 | 0 | 0 | 111.4 | W364 Q365 Y366 K371 K372 | W364-E368 WeakPolarHBondContact CH2-OE2 3.34Å; W364-E368 WeakPolarHBondContact CZ3-OE2 3.44Å; W364-E368 PolarHBondContact O-N 3.37Å; Q365-E368 PolarHBondContact O-N 3.38Å; Y366-E368 VanDerWaalsContact C-N 3.33Å; Y366-E368 PolarHBondContact O-N 3.5Å; E368-K371 PolarHBondContact O-N 3.37Å; E368-K372 HydrophobicContact CG-CD 4.35Å; E368-K372 PolarHBondContact O-N 2.77Å; E368-K372 WeakPolarHBondContact OE1-CE 3.39Å; E368-K372 IonicContact OE1-NZ 3.97Å; E368-K372 PolarHBondContact OE1-NZ 3.18Å |
| 369 | T | 91.4 | Very high | 86.8 | Confident | 93 Ų | 93 | 105 Ų | 105 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.8 | -44.7 | 178.6 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | Q365 Y366 Q367 K372 G373 | Q365-T369 WeakPolarHBondContact O-CB 3.4Å; Q365-T369 PolarHBondContact O-N 3.39Å; Q365-T369 PolarHBondContact O-OG1 3.07Å; Y366-T369 PolarHBondContact O-N 3.44Å; Q367-T369 VanDerWaalsContact C-N 3.34Å; T369-K372 PolarHBondContact O-N 3.05Å; T369-G373 PolarHBondContact O-N 3.44Å |
| 370 | I | 92.3 | Very high | 88.2 | Confident | 77 Ų | 77 | 106.4 Ų | 106.4 | 40% | 0.395 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 175.2 | -64.8 | -57.9 | 0 | 0 | 0 | 110.9 | Y366 K372 G373 D374 | Y366-I370 HydrophobicContact CE1-CG1 4.3Å; Y366-I370 HydrophobicContact CE2-CD1 4.33Å; Y366-I370 HydrophobicContact CE2-CG1 4.31Å; Y366-I370 WeakPolarHBondContact O-CG1 3.46Å; Y366-I370 PolarHBondContact O-N 3.1Å; I370-K372 PolarHBondContact O-N 3.24Å; I370-G373 PolarHBondContact O-N 3.38Å; I370-D374 PolarHBondContact O-N 2.88Å |
| 371 | K | 89.1 | Confident | 89.2 | Confident | 147 Ų | 147 | 104.7 Ų | 104.7 | 64% | 0.639 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.7 | -44.6 | 179.7 | -74 | 176.1 | -179.1 | 176.3 | 0 | 112.9 | Q367 E368 L375 | Q367-K371 WeakPolarHBondContact O-CG 3.39Å; Q367-K371 PolarHBondContact O-N 3.33Å; Q367-K371 VanDerWaalsContact O-N 3.09Å; E368-K371 PolarHBondContact O-N 3.37Å; K371-L375 PolarHBondContact O-N 3.36Å |
| 372 | K | 90.5 | Very high | 89.9 | Confident | 129 Ų | 129 | 108.4 Ų | 108.4 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.2 | -37.7 | 176.9 | -71.9 | -176.6 | -176.2 | 167.4 | 0 | 111.6 | E368 T369 I370 L375 L376 | E368-K372 HydrophobicContact CG-CD 4.35Å; E368-K372 PolarHBondContact O-N 2.77Å; E368-K372 WeakPolarHBondContact OE1-CE 3.39Å; E368-K372 IonicContact OE1-NZ 3.97Å; E368-K372 PolarHBondContact OE1-NZ 3.18Å; T369-K372 PolarHBondContact O-N 3.05Å; I370-K372 PolarHBondContact O-N 3.24Å; K372-L375 PolarHBondContact O-N 3.02Å; K372-L376 PolarHBondContact O-N 2.74Å |
| 373 | G | 94.6 | Very high | 90.4 | Very high | 27 Ų | 27 | 105 Ų | 105 | 28% | 0.278 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T369 I370 L375 L376 L377 | T369-G373 PolarHBondContact O-N 3.44Å; I370-G373 PolarHBondContact O-N 3.38Å; G373-L375 VanDerWaalsContact C-N 3.35Å; G373-L375 PolarHBondContact O-N 2.67Å; G373-L376 PolarHBondContact O-N 3.4Å; G373-L377 WeakPolarHBondContact O-CB 3.45Å; G373-L377 WeakPolarHBondContact O-CG 3.29Å; G373-L377 PolarHBondContact O-N 2.93Å |
| 374 | D | 93.3 | Very high | 90.9 | Very high | 86 Ų | 86 | 103.4 Ų | 103.4 | 46% | 0.46 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 178.4 | -72.7 | -17 | 0 | 0 | 0 | 112 | I370 L376 L377 N378 | I370-D374 PolarHBondContact O-N 2.88Å; D374-L376 VanDerWaalsContact C-N 3.34Å; D374-L376 PolarHBondContact O-N 3.38Å; D374-L377 PolarHBondContact O-N 2.9Å; D374-N378 WeakPolarHBondContact O-CB 3.44Å; D374-N378 VanDerWaalsContact O-CG 3.24Å; D374-N378 PolarHBondContact O-N 2.96Å; D374-N378 PolarHBondContact O-ND2 3.28Å |
| 375 | L | 92.6 | Very high | 91.5 | Very high | 106 Ų | 106 | 104.7 Ų | 104.7 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.5 | -43.1 | 176.3 | -178 | 65.4 | 0 | 0 | 0 | 111.8 | K371 K372 G373 R379 | K371-L375 PolarHBondContact O-N 3.36Å; K372-L375 PolarHBondContact O-N 3.02Å; G373-L375 VanDerWaalsContact C-N 3.35Å; G373-L375 PolarHBondContact O-N 2.67Å; L375-R379 PolarHBondContact O-N 3.06Å |
| 376 | L | 94.3 | Very high | 91.9 | Very high | 110 Ų | 110 | 104.5 Ų | 104.5 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.9 | -48.3 | 177.9 | 179.4 | 62.9 | 0 | 0 | 0 | 111.1 | K372 G373 D374 N378 R379 V380 | K372-L376 PolarHBondContact O-N 2.74Å; G373-L376 PolarHBondContact O-N 3.4Å; D374-L376 VanDerWaalsContact C-N 3.34Å; D374-L376 PolarHBondContact O-N 3.38Å; L376-N378 VanDerWaalsContact C-N 3.32Å; L376-N378 PolarHBondContact O-N 3.48Å; L376-R379 PolarHBondContact O-N 3.44Å; L376-R379 VanDerWaalsContact O-N 3.09Å; L376-V380 HydrophobicContact CD1-CG2 4.14Å; L376-V380 HydrophobicContact CG-CG2 4.34Å; L376-V380 WeakPolarHBondContact O-CG2 3.49Å; L376-V380 PolarHBondContact O-N 3.12Å |
| 377 | L | 94.9 | Very high | 92.1 | Very high | 114 Ų | 114 | 103.1 Ų | 103.1 | 60% | 0.597 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.8 | -44.4 | 178.9 | -74.4 | 174.2 | 0 | 0 | 0 | 111.5 | G373 D374 R379 V380 Q381 | G373-L377 WeakPolarHBondContact O-CB 3.45Å; G373-L377 WeakPolarHBondContact O-CG 3.29Å; G373-L377 PolarHBondContact O-N 2.93Å; D374-L377 PolarHBondContact O-N 2.9Å; L377-R379 VanDerWaalsContact C-N 3.32Å; L377-R379 PolarHBondContact O-N 3.31Å; L377-V380 PolarHBondContact O-N 3.5Å; L377-Q381 WeakPolarHBondContact O-CB 3.35Å; L377-Q381 PolarHBondContact O-N 2.91Å |
| 378 | N | 93.9 | Very high | 92.1 | Very high | 102 Ų | 102 | 105.2 Ų | 105.2 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 175.9 | -76.1 | -36.7 | 0 | 0 | 0 | 112.3 | D374 L376 K382 | D374-N378 WeakPolarHBondContact O-CB 3.44Å; D374-N378 VanDerWaalsContact O-CG 3.24Å; D374-N378 PolarHBondContact O-N 2.96Å; D374-N378 PolarHBondContact O-ND2 3.28Å; L376-N378 VanDerWaalsContact C-N 3.32Å; L376-N378 PolarHBondContact O-N 3.48Å; N378-K382 PolarHBondContact O-N 3.11Å; N378-K382 VanDerWaalsContact O-N 3.08Å |
| 379 | R | 92.8 | Very high | 91.2 | Very high | 161 Ų | 161 | 112.1 Ų | 112.1 | 61% | 0.608 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.5 | -43.9 | 178.1 | -169.9 | 175.6 | -68.9 | 171 | -2 | 111.7 | L375 L376 L377 K382 L383 | L375-R379 PolarHBondContact O-N 3.06Å; L376-R379 PolarHBondContact O-N 3.44Å; L376-R379 VanDerWaalsContact O-N 3.09Å; L377-R379 VanDerWaalsContact C-N 3.32Å; L377-R379 PolarHBondContact O-N 3.31Å; R379-K382 PolarHBondContact O-N 3.45Å; R379-L383 HydrophobicContact CG-CD1 4.28Å; R379-L383 PolarHBondContact O-N 2.65Å |
| 380 | V | 94.1 | Very high | 91.1 | Very high | 78 Ų | 78 | 113.1 Ų | 113.1 | 47% | 0.473 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.4 | -42.4 | 176.8 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | L376 L377 K382 L383 S384 | L376-V380 HydrophobicContact CD1-CG2 4.14Å; L376-V380 HydrophobicContact CG-CG2 4.34Å; L376-V380 WeakPolarHBondContact O-CG2 3.49Å; L376-V380 PolarHBondContact O-N 3.12Å; L377-V380 PolarHBondContact O-N 3.5Å; V380-K382 VanDerWaalsContact C-N 3.31Å; V380-K382 PolarHBondContact O-N 3.22Å; V380-L383 WeakPolarHBondContact O-CB 3.45Å; V380-L383 PolarHBondContact O-N 3.39Å; V380-S384 PolarHBondContact O-N 2.84Å; V380-S384 PolarHBondContact O-OG 3.49Å |
| 381 | Q | 93.4 | Very high | 91.1 | Very high | 95 Ų | 95 | 114.9 Ų | 114.9 | 44% | 0.444 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.7 | -36.9 | 177 | -169.2 | -177.7 | 22.4 | 0 | 0 | 112.2 | L377 S384 R385 | L377-Q381 WeakPolarHBondContact O-CB 3.35Å; L377-Q381 PolarHBondContact O-N 2.91Å; Q381-S384 PolarHBondContact O-OG 3.48Å; Q381-R385 WeakPolarHBondContact O-CG 3.46Å; Q381-R385 PolarHBondContact O-N 3.23Å |
| 382 | K | 93.3 | Very high | 91.2 | Very high | 157 Ų | 157 | 113.2 Ų | 113.2 | 68% | 0.683 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68 | -41.8 | 174.8 | -166.4 | 174.8 | -178.9 | 178.8 | 0 | 111.5 | N378 R379 V380 R385 V386 | N378-K382 PolarHBondContact O-N 3.11Å; N378-K382 VanDerWaalsContact O-N 3.08Å; R379-K382 PolarHBondContact O-N 3.45Å; V380-K382 VanDerWaalsContact C-N 3.31Å; V380-K382 PolarHBondContact O-N 3.22Å; K382-R385 PolarHBondContact O-N 3.34Å; K382-V386 WeakPolarHBondContact O-CG2 3.32Å; K382-V386 PolarHBondContact O-N 3.4Å |
| 383 | L | 94.1 | Very high | 91.2 | Very high | 98 Ų | 98 | 112.2 Ų | 112.2 | 51% | 0.513 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.6 | -46.4 | 174.8 | -90.2 | 153.1 | 0 | 0 | 0 | 112.1 | R379 V380 R385 V386 I387 | R379-L383 HydrophobicContact CG-CD1 4.28Å; R379-L383 PolarHBondContact O-N 2.65Å; V380-L383 WeakPolarHBondContact O-CB 3.45Å; V380-L383 PolarHBondContact O-N 3.39Å; L383-R385 VanDerWaalsContact C-N 3.29Å; L383-R385 PolarHBondContact O-N 2.69Å; L383-V386 PolarHBondContact O-N 2.86Å; L383-I387 WeakPolarHBondContact O-CG1 3.47Å; L383-I387 PolarHBondContact O-N 3.03Å |
| 384 | S | 93.6 | Very high | 91 | Very high | 48 Ų | 48 | 117.6 Ų | 117.6 | 34% | 0.336 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63 | -35.6 | -179 | 67.9 | 0 | 0 | 0 | 0 | 112.6 | V380 Q381 V386 I387 N388 | V380-S384 PolarHBondContact O-N 2.84Å; V380-S384 PolarHBondContact O-OG 3.49Å; Q381-S384 PolarHBondContact O-OG 3.48Å; S384-V386 VanDerWaalsContact C-N 3.33Å; S384-V386 PolarHBondContact O-N 3.25Å; S384-I387 PolarHBondContact O-N 3.44Å; S384-N388 VanDerWaalsContact O-CB 3.25Å; S384-N388 WeakPolarHBondContact O-CB 3.42Å; S384-N388 PolarHBondContact O-N 3.11Å; S384-N388 PolarHBondContact O-ND2 3.31Å |
| 385 | R | 91 | Very high | 90.9 | Very high | 156 Ų | 156 | 119.7 Ų | 119.7 | 59% | 0.589 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.6 | -33.6 | 173.4 | -71.8 | 178.3 | -175.1 | -176.1 | 4.3 | 113.4 | Q381 K382 L383 M389 | Q381-R385 WeakPolarHBondContact O-CG 3.46Å; Q381-R385 PolarHBondContact O-N 3.23Å; K382-R385 PolarHBondContact O-N 3.34Å; L383-R385 VanDerWaalsContact C-N 3.29Å; L383-R385 PolarHBondContact O-N 2.69Å; R385-M389 PolarHBondContact O-N 3.17Å |
| 386 | V | 93.7 | Very high | 90.8 | Very high | 97 Ų | 97 | 120.6 Ų | 120.6 | 59% | 0.588 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.9 | -33.8 | 177.6 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | K382 L383 S384 | K382-V386 WeakPolarHBondContact O-CG2 3.32Å; K382-V386 PolarHBondContact O-N 3.4Å; L383-V386 PolarHBondContact O-N 2.86Å; S384-V386 VanDerWaalsContact C-N 3.33Å; S384-V386 PolarHBondContact O-N 3.25Å |
| 387 | I | 91.5 | Very high | 90.5 | Very high | 125 Ų | 125 | 121.5 Ų | 121.5 | 64% | 0.641 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -77.3 | -32.2 | 179.2 | -65.2 | 165.5 | 0 | 0 | 0 | 111.8 | L383 S384 | L383-I387 WeakPolarHBondContact O-CG1 3.47Å; L383-I387 PolarHBondContact O-N 3.03Å; S384-I387 PolarHBondContact O-N 3.44Å |
| 388 | N | 84.2 | Confident | 90.1 | Very high | 140 Ų | 140 | 122.1 Ų | 122.1 | 75% | 0.749 | 60% | 0.599 | S | S | * | * | trans | -85.5 | -11 | -179.3 | -70.2 | -21.8 | 0 | 0 | 0 | 114.1 | S384 | S384-N388 VanDerWaalsContact O-CB 3.25Å; S384-N388 WeakPolarHBondContact O-CB 3.42Å; S384-N388 PolarHBondContact O-N 3.11Å; S384-N388 PolarHBondContact O-ND2 3.31Å | ||
| 389 | M | 65.9 | Low | 89.8 | Confident | 208 Ų | 208 | 123.9 Ų | 123.9 | 100% | 1.025 | 60% | 0.604 | S | S | * | * | trans | -88.6 | 0 | 165.7 | -83.9 | -165.7 | -82 | 0 | 0 | 109.1 | R385 | R385-M389 PolarHBondContact O-N 3.17Š|
Retrieved 389 of 389 residues in 1237.4 ms
(Link to these results)