| 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 | 33.7 | Very low | 54.4 | Low | 248 Ų | 248 | 116.6 Ų | 116.6 | 100% | 1.222 | 58% | 0.577 | S | S | * | * | 0 | 120.5 | 0 | -79.7 | 167.1 | 161.6 | 0 | 0 | 108.1 | |||||
| 2 | R | 34.8 | Very low | 56.4 | Low | 233 Ų | 233 | 108.2 Ų | 108.2 | 88% | 0.879 | 54% | 0.536 | S | S | * | . | trans | -87.6 | 124.2 | -177 | -72.7 | 176.8 | 178 | 173.9 | -1.1 | 108.5 | ||||
| 3 | D | 37.8 | Very low | 58.1 | Low | 95 Ų | 95 | 103.8 Ų | 103.8 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | trans | -53.3 | 118.2 | 179.7 | -175.7 | 4.2 | 0 | 0 | 0 | 111.9 | G5 R6 | D3-G5 PolarHBondContact O-N 3.2Å; D3-G5 PolarHBondContact OD1-N 3.14Å; D3-R6 PolarHBondContact O-N 3.24Å; D3-R6 VanDerWaalsContact O-N 3.11Å | ||
| 4 | P | 43.1 | Very low | 59.8 | Low | 110 Ų | 110 | 102.6 Ų | 102.6 | 71% | 0.714 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -24.2 | -178.7 | 21.1 | -30.2 | 0 | 0 | 0 | 113.4 | R6 K7 | P4-R6 VanDerWaalsContact C-N 3.28Å; P4-R6 PolarHBondContact O-N 3.41Å; P4-K7 PolarHBondContact O-N 3.09Å |
| 5 | G | 50.8 | Low | 61.3 | Low | 29 Ų | 29 | 97.6 Ų | 97.6 | 30% | 0.299 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.6 | -22.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D3 S8 L9 | D3-G5 PolarHBondContact O-N 3.2Å; D3-G5 PolarHBondContact OD1-N 3.14Å; G5-S8 PolarHBondContact O-OG 3.02Å; G5-L9 WeakPolarHBondContact O-CD1 3.45Å |
| 6 | R | 52.5 | Low | 62.5 | Low | 179 Ų | 179 | 91.6 Ų | 91.6 | 68% | 0.675 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -72.3 | -31.2 | 179.5 | -102.8 | -178.2 | 176.7 | 178.6 | -0.3 | 113.6 | D3 P4 | D3-R6 PolarHBondContact O-N 3.24Å; D3-R6 VanDerWaalsContact O-N 3.11Å; P4-R6 VanDerWaalsContact C-N 3.28Å; P4-R6 PolarHBondContact O-N 3.41Å |
| 7 | K | 54.6 | Low | 63.6 | Low | 159 Ų | 159 | 92.4 Ų | 92.4 | 69% | 0.691 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -76.5 | -37.3 | -179.1 | -75.3 | -174.1 | 176 | -176.5 | 0 | 112.4 | P4 Q11 | P4-K7 PolarHBondContact O-N 3.09Å; K7-Q11 PolarHBondContact O-N 3.44Å |
| 8 | S | 66.4 | Low | 64.7 | Low | 39 Ų | 39 | 90.5 Ų | 90.5 | 27% | 0.273 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70 | -33.6 | -179.9 | 69.1 | 0 | 0 | 0 | 0 | 112.8 | G5 L12 | G5-S8 PolarHBondContact O-OG 3.02Å; S8-L12 PolarHBondContact O-N 2.66Å |
| 9 | L | 71.5 | Confident | 65.7 | Low | 5 Ų | 5 | 87.7 Ų | 87.7 | 3% | 0.026 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -70.2 | -46.6 | 177.8 | -78.9 | 159.8 | 0 | 0 | 0 | 111.9 | G5 Q11 L12 E13 L50 L51 R54 | G5-L9 WeakPolarHBondContact O-CD1 3.45Å; L9-Q11 PolarHBondContact O-N 3.35Å; L9-L12 WeakPolarHBondContact O-CB 3.48Å; L9-L12 PolarHBondContact O-N 3.25Å; L9-E13 WeakPolarHBondContact O-CG 3.48Å; L9-E13 PolarHBondContact O-N 3.25Å; L9-L50 HydrophobicContact CD1-CB 4.11Å; L9-L50 HydrophobicContact CD1-CD1 4.22Å; L9-L50 HydrophobicContact CD2-CB 4.27Å; L9-L51 HydrophobicContact CD2-CD2 3.52Å; L9-L51 HydrophobicContact CD2-CG 3.65Å; L9-R54 VanDerWaalsContact CD1-NH1 3.34Å |
| 10 | A | 73.8 | Confident | 66.4 | Low | 54 Ų | 54 | 88.8 Ų | 88.8 | 45% | 0.446 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.8 | -31.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | N14 | A10-N14 WeakPolarHBondContact O-CB 3.35Å; A10-N14 PolarHBondContact O-N 2.85Å; A10-N14 VanDerWaalsContact O-N 3.09Å |
| 11 | Q | 79 | Confident | 67.3 | Low | 132 Ų | 132 | 89.2 Ų | 89.2 | 62% | 0.617 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.8 | -43 | 173.7 | -172.2 | 176.5 | -0.2 | 0 | 0 | 111.9 | K7 L9 N14 L15 | K7-Q11 PolarHBondContact O-N 3.44Å; L9-Q11 PolarHBondContact O-N 3.35Å; Q11-N14 PolarHBondContact O-N 3.08Å; Q11-L15 HydrophobicContact CG-CD1 4.48Å; Q11-L15 VanDerWaalsContact O-CG 3.31Å; Q11-L15 WeakPolarHBondContact O-CG 3.49Å; Q11-L15 PolarHBondContact O-N 3.07Å |
| 12 | L | 78.8 | Confident | 69.7 | Low | 15 Ų | 15 | 79.7 Ų | 79.7 | 8% | 0.079 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 174.9 | -72.9 | 168.9 | 0 | 0 | 0 | 111.8 | S8 L9 N14 L15 C16 L35 F38 | S8-L12 PolarHBondContact O-N 2.66Å; L9-L12 WeakPolarHBondContact O-CB 3.48Å; L9-L12 PolarHBondContact O-N 3.25Å; L12-N14 VanDerWaalsContact C-N 3.31Å; L12-N14 PolarHBondContact O-N 3.38Å; L12-L15 PolarHBondContact O-N 3.39Å; L12-C16 PolarHBondContact O-N 3.39Å; L12-C16 PolarHBondContact O-SG 3.3Å; L12-L35 HydrophobicContact CD2-CD2 4.19Å; L12-F38 HydrophobicContact CD1-CD2 3.98Å; L12-F38 HydrophobicContact CD1-CE2 3.72Å; L12-F38 HydrophobicContact CD1-CZ 4.05Å; L12-F38 HydrophobicContact CD2-CB 4.12Å; L12-F38 HydrophobicContact CD2-CD1 4.19Å; L12-F38 HydrophobicContact CD2-CD2 3.92Å; L12-F38 HydrophobicContact CD2-CE2 4.44Å; L12-F38 HydrophobicContact CD2-CG 3.78Å |
| 13 | E | 79.1 | Confident | 71.9 | Confident | 51 Ų | 51 | 75.6 Ų | 75.6 | 24% | 0.238 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 175.6 | -65.1 | 178.3 | 172 | 0 | 0 | 111.8 | L9 C16 K17 L51 S56 S60 | L9-E13 WeakPolarHBondContact O-CG 3.48Å; L9-E13 PolarHBondContact O-N 3.25Å; E13-C16 WeakPolarHBondContact O-CB 3.46Å; E13-C16 PolarHBondContact O-N 3.26Å; E13-K17 PolarHBondContact O-N 2.99Å; E13-L51 HydrophobicContact CG-CD2 4.2Å; E13-S56 VanDerWaalsContact CD-OG 3.31Å; E13-S56 PolarHBondContact OE1-OG 2.65Å; E13-S60 WeakPolarHBondContact CG-OG 3.45Å |
| 14 | N | 81.7 | Confident | 74.1 | Confident | 88 Ų | 88 | 74.2 Ų | 74.2 | 47% | 0.471 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67 | -39.8 | 176.3 | -165.4 | 23.6 | 0 | 0 | 0 | 112.2 | A10 Q11 L12 K17 Q18 | A10-N14 WeakPolarHBondContact O-CB 3.35Å; A10-N14 PolarHBondContact O-N 2.85Å; A10-N14 VanDerWaalsContact O-N 3.09Å; Q11-N14 PolarHBondContact O-N 3.08Å; L12-N14 VanDerWaalsContact C-N 3.31Å; L12-N14 PolarHBondContact O-N 3.38Å; N14-K17 WeakPolarHBondContact O-CB 3.47Å; N14-K17 PolarHBondContact O-N 3.04Å; N14-Q18 WeakPolarHBondContact O-CG 3.39Å; N14-Q18 PolarHBondContact O-N 2.94Å |
| 15 | L | 82.3 | Confident | 76.1 | Confident | 27 Ų | 27 | 73 Ų | 73 | 14% | 0.141 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 175 | -68.6 | 168.7 | 0 | 0 | 0 | 111.8 | Q11 L12 K17 Q18 L19 A31 A34 L35 | Q11-L15 HydrophobicContact CG-CD1 4.48Å; Q11-L15 VanDerWaalsContact O-CG 3.31Å; Q11-L15 WeakPolarHBondContact O-CG 3.49Å; Q11-L15 PolarHBondContact O-N 3.07Å; L12-L15 PolarHBondContact O-N 3.39Å; L15-K17 VanDerWaalsContact C-N 3.33Å; L15-K17 PolarHBondContact O-N 3.03Å; L15-Q18 PolarHBondContact O-N 3.45Å; L15-L19 PolarHBondContact O-N 2.94Å; L15-A31 HydrophobicContact CD2-CB 4.25Å; L15-A34 HydrophobicContact CD1-CB 3.95Å; L15-A34 HydrophobicContact CD2-CB 4.28Å; L15-L35 HydrophobicContact CB-CD2 4.12Å; L15-L35 HydrophobicContact CB-CG 4.26Å |
| 16 | C | 79.8 | Confident | 77.7 | Confident | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.007 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 172.3 | -65 | 0 | 0 | 0 | 0 | 111.6 | L12 E13 Q18 L19 Y20 L63 | L12-C16 PolarHBondContact O-N 3.39Å; L12-C16 PolarHBondContact O-SG 3.3Å; E13-C16 WeakPolarHBondContact O-CB 3.46Å; E13-C16 PolarHBondContact O-N 3.26Å; C16-Q18 VanDerWaalsContact C-N 3.32Å; C16-Q18 PolarHBondContact O-N 3.01Å; C16-L19 PolarHBondContact O-N 2.88Å; C16-Y20 VanDerWaalsContact O-CD2 3.29Å; C16-Y20 WeakPolarHBondContact O-CD2 3.16Å; C16-Y20 PolarHBondContact O-N 2.98Å; C16-L63 WeakPolarHBondContact SG-CD2 3.14Å |
| 17 | K | 81.3 | Confident | 79.2 | Confident | 106 Ų | 106 | 69 Ų | 69 | 46% | 0.461 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 178.9 | -164.1 | 176.3 | -178.1 | 177.2 | 0 | 111 | E13 N14 L15 L19 Y20 E21 | E13-K17 PolarHBondContact O-N 2.99Å; N14-K17 WeakPolarHBondContact O-CB 3.47Å; N14-K17 PolarHBondContact O-N 3.04Å; L15-K17 VanDerWaalsContact C-N 3.33Å; L15-K17 PolarHBondContact O-N 3.03Å; K17-L19 VanDerWaalsContact C-N 3.34Å; K17-L19 PolarHBondContact O-N 3.33Å; K17-Y20 PolarHBondContact O-N 3.33Å; K17-E21 VanDerWaalsContact CE-CD 3.49Å; K17-E21 WeakPolarHBondContact CE-OE2 3.41Å; K17-E21 VanDerWaalsContact CG-CD 3.46Å; K17-E21 HydrophobicContact CG-CG 4.21Å; K17-E21 VanDerWaalsContact CG-OE2 3.31Å; K17-E21 WeakPolarHBondContact CG-OE2 3.36Å; K17-E21 IonicContact NZ-OE2 3.78Å; K17-E21 VanDerWaalsContact O-CB 3.32Å; K17-E21 WeakPolarHBondContact O-CB 3.39Å; K17-E21 PolarHBondContact O-N 2.74Å |
| 18 | Q | 84.4 | Confident | 80.7 | Confident | 58 Ų | 58 | 67.2 Ų | 67.2 | 27% | 0.271 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 175.6 | -73.5 | 175.2 | -12 | 0 | 0 | 112.7 | N14 L15 C16 Y20 T22 T27 A31 | N14-Q18 WeakPolarHBondContact O-CG 3.39Å; N14-Q18 PolarHBondContact O-N 2.94Å; L15-Q18 PolarHBondContact O-N 3.45Å; C16-Q18 VanDerWaalsContact C-N 3.32Å; C16-Q18 PolarHBondContact O-N 3.01Å; Q18-Y20 PolarHBondContact O-N 3.17Å; Q18-T22 WeakPolarHBondContact CA-OG1 3.49Å; Q18-T22 WeakPolarHBondContact O-CB 3.33Å; Q18-T22 PolarHBondContact O-N 3.16Å; Q18-T22 PolarHBondContact O-OG1 3.48Å; Q18-T27 HydrophobicContact CB-CG2 4.32Å; Q18-T27 HydrophobicContact CG-CG2 4.22Å; Q18-A31 HydrophobicContact CB-CB 3.97Å |
| 19 | L | 83.1 | Confident | 81.4 | Confident | 38 Ų | 38 | 70.2 Ų | 70.2 | 20% | 0.199 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 178.6 | -175.9 | 67.4 | 0 | 0 | 0 | 112.7 | L15 C16 K17 R28 A31 E32 L35 | L15-L19 PolarHBondContact O-N 2.94Å; C16-L19 PolarHBondContact O-N 2.88Å; K17-L19 VanDerWaalsContact C-N 3.34Å; K17-L19 PolarHBondContact O-N 3.33Å; L19-R28 HydrophobicContact CD1-CG 4.06Å; L19-A31 HydrophobicContact CB-CB 4.45Å; L19-E32 HydrophobicContact CD1-CB 3.89Å; L19-E32 HydrophobicContact CD1-CG 4.48Å; L19-L35 HydrophobicContact CB-CD1 4.24Å; L19-L35 HydrophobicContact CD2-CD1 3.76Å |
| 20 | Y | 79.9 | Confident | 82 | Confident | 108 Ų | 108 | 76.6 Ų | 76.6 | 42% | 0.424 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -98.6 | -25.9 | -171.8 | -68.5 | -68.3 | 0 | 0 | 0 | 115.1 | C16 K17 Q18 Y59 L62 | C16-Y20 VanDerWaalsContact O-CD2 3.29Å; C16-Y20 WeakPolarHBondContact O-CD2 3.16Å; C16-Y20 PolarHBondContact O-N 2.98Å; K17-Y20 PolarHBondContact O-N 3.33Å; Q18-Y20 PolarHBondContact O-N 3.17Å; Y20-Y59 HydrophobicContact CD1-CD1 4.49Å; Y20-Y59 HydrophobicContact CD1-CE1 4.46Å; Y20-Y59 AromaticContact CD2-CD1 3.41Å; Y20-Y59 HydrophobicContact CD2-CD1 3.41Å; Y20-Y59 VanDerWaalsContact CD2-CD1 3.41Å; Y20-Y59 HydrophobicContact CD2-CE1 4.07Å; Y20-Y59 AromaticContact CD2-CG 3.96Å; Y20-Y59 HydrophobicContact CD2-CG 3.96Å; Y20-Y59 HydrophobicContact CE2-CD1 4.07Å; Y20-Y59 AromaticContact CG-CD1 3.67Å; Y20-Y59 HydrophobicContact CG-CD1 3.67Å; Y20-Y59 AromaticContact CG-CE1 3.82Å; Y20-Y59 HydrophobicContact CG-CE1 3.82Å; Y20-Y59 HydrophobicContact CG-CG 4.47Å; Y20-L62 HydrophobicContact CE1-CD2 4.39Å; Y20-L62 HydrophobicContact CE2-CD2 4.19Å |
| 21 | E | 84.3 | Confident | 82.5 | Confident | 99 Ų | 99 | 74 Ų | 74 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -109.1 | -16.7 | -173.8 | -60.5 | -179.1 | -170.1 | 0 | 0 | 114.4 | K17 Y59 | K17-E21 VanDerWaalsContact CE-CD 3.49Å; K17-E21 WeakPolarHBondContact CE-OE2 3.41Å; K17-E21 VanDerWaalsContact CG-CD 3.46Å; K17-E21 HydrophobicContact CG-CG 4.21Å; K17-E21 VanDerWaalsContact CG-OE2 3.31Å; K17-E21 WeakPolarHBondContact CG-OE2 3.36Å; K17-E21 IonicContact NZ-OE2 3.78Å; K17-E21 VanDerWaalsContact O-CB 3.32Å; K17-E21 WeakPolarHBondContact O-CB 3.39Å; K17-E21 PolarHBondContact O-N 2.74Å; E21-Y59 HydrophobicContact CG-CE2 4.27Å; E21-Y59 WeakPolarHBondContact OE1-CE2 3.33Å |
| 22 | T | 83.9 | Confident | 82.7 | Confident | 47 Ų | 47 | 72.5 Ų | 72.5 | 29% | 0.288 | 37% | 0.366 | S | S | . | . | trans | -80.4 | 134.4 | -174.3 | -61 | 0 | 0 | 0 | 0 | 112.3 | Q18 D24 T27 | Q18-T22 WeakPolarHBondContact CA-OG1 3.49Å; Q18-T22 WeakPolarHBondContact O-CB 3.33Å; Q18-T22 PolarHBondContact O-N 3.16Å; Q18-T22 PolarHBondContact O-OG1 3.48Å; T22-D24 HydrophobicContact CG2-CB 3.84Å; T22-T27 HydrophobicContact CG2-CG2 4.12Å | ||
| 23 | T | 81.1 | Confident | 83 | Confident | 148 Ų | 148 | 78.4 Ų | 78.4 | 91% | 0.908 | 39% | 0.391 | S | S | * | . | trans | -85.3 | -14.5 | 175 | 51.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 24 | D | 84.9 | Confident | 83.1 | Confident | 65 Ų | 65 | 77.5 Ų | 77.5 | 35% | 0.348 | 39% | 0.393 | S | S | . | . | trans | -83.2 | 118.6 | 175.7 | 168.2 | 31.4 | 0 | 0 | 0 | 112.3 | T22 T26 T27 R28 | T22-D24 HydrophobicContact CG2-CB 3.84Å; D24-T26 VanDerWaalsContact C-N 3.29Å; D24-T26 VanDerWaalsContact CG-OG1 3.28Å; D24-T26 PolarHBondContact O-N 3.49Å; D24-T26 PolarHBondContact OD1-N 2.87Å; D24-T26 PolarHBondContact OD1-OG1 3.46Å; D24-T26 PolarHBondContact OD2-OG1 3.02Å; D24-T27 WeakPolarHBondContact OD2-CB 3.25Å; D24-T27 PolarHBondContact OD2-N 3.22Å; D24-T27 PolarHBondContact OD2-OG1 3Å; D24-R28 PolarHBondContact O-N 3.08Å; D24-R28 VanDerWaalsContact O-N 3.14Å | ||
| 25 | T | 84.1 | Confident | 83.1 | Confident | 84 Ų | 84 | 73.8 Ų | 73.8 | 52% | 0.515 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.9 | -34.8 | -178.7 | -31.9 | 0 | 0 | 0 | 0 | 112.9 | L29 | T25-L29 HydrophobicContact CG2-CD1 4.41Å; T25-L29 WeakPolarHBondContact O-CG 3.48Å; T25-L29 PolarHBondContact O-N 2.87Å; T25-L29 VanDerWaalsContact O-N 3.09Å |
| 26 | T | 85.6 | Confident | 83 | Confident | 86 Ų | 86 | 75.8 Ų | 75.8 | 53% | 0.528 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -72.7 | -45.6 | -177 | 52.3 | 0 | 0 | 0 | 0 | 112.1 | D24 R28 L29 Q30 | D24-T26 VanDerWaalsContact C-N 3.29Å; D24-T26 VanDerWaalsContact CG-OG1 3.28Å; D24-T26 PolarHBondContact O-N 3.49Å; D24-T26 PolarHBondContact OD1-N 2.87Å; D24-T26 PolarHBondContact OD1-OG1 3.46Å; D24-T26 PolarHBondContact OD2-OG1 3.02Å; T26-R28 VanDerWaalsContact C-N 3.32Å; T26-R28 PolarHBondContact O-N 3.15Å; T26-L29 PolarHBondContact O-N 3.41Å; T26-Q30 WeakPolarHBondContact O-CG 3.44Å; T26-Q30 PolarHBondContact O-N 3.48Å; T26-Q30 VanDerWaalsContact O-N 3.09Å |
| 27 | T | 82.9 | Confident | 83.1 | Confident | 39 Ų | 39 | 81.4 Ų | 81.4 | 24% | 0.239 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 173.7 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | Q18 T22 D24 Q30 A31 | Q18-T27 HydrophobicContact CB-CG2 4.32Å; Q18-T27 HydrophobicContact CG-CG2 4.22Å; T22-T27 HydrophobicContact CG2-CG2 4.12Å; D24-T27 WeakPolarHBondContact OD2-CB 3.25Å; D24-T27 PolarHBondContact OD2-N 3.22Å; D24-T27 PolarHBondContact OD2-OG1 3Å; T27-Q30 PolarHBondContact O-N 3.44Å; T27-A31 PolarHBondContact O-N 3.32Å |
| 28 | R | 86.1 | Confident | 83.2 | Confident | 121 Ų | 121 | 77.2 Ų | 77.2 | 46% | 0.457 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 177.3 | -168.7 | 176.8 | 68.1 | 172.5 | 0.3 | 112.7 | L19 D24 T26 Q30 A31 E32 | L19-R28 HydrophobicContact CD1-CG 4.06Å; D24-R28 PolarHBondContact O-N 3.08Å; D24-R28 VanDerWaalsContact O-N 3.14Å; T26-R28 VanDerWaalsContact C-N 3.32Å; T26-R28 PolarHBondContact O-N 3.15Å; R28-Q30 PolarHBondContact O-N 2.94Å; R28-A31 PolarHBondContact O-N 3.01Å; R28-E32 PolarHBondContact O-N 3.19Å |
| 29 | L | 82.5 | Confident | 82.8 | Confident | 103 Ų | 103 | 74.9 Ų | 74.9 | 54% | 0.539 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 177 | -80.8 | 163.1 | 0 | 0 | 0 | 112.5 | T25 T26 E32 K33 | T25-L29 HydrophobicContact CG2-CD1 4.41Å; T25-L29 WeakPolarHBondContact O-CG 3.48Å; T25-L29 PolarHBondContact O-N 2.87Å; T25-L29 VanDerWaalsContact O-N 3.09Å; T26-L29 PolarHBondContact O-N 3.41Å; L29-E32 PolarHBondContact O-N 2.99Å; L29-K33 WeakPolarHBondContact O-CB 3.33Å; L29-K33 PolarHBondContact O-N 2.61Å |
| 30 | Q | 84.1 | Confident | 82.4 | Confident | 138 Ų | 138 | 78.3 Ų | 78.3 | 65% | 0.645 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66 | -42.5 | 175.9 | -72 | 178.4 | 3.7 | 0 | 0 | 111.7 | T26 T27 R28 K33 A34 | T26-Q30 WeakPolarHBondContact O-CG 3.44Å; T26-Q30 PolarHBondContact O-N 3.48Å; T26-Q30 VanDerWaalsContact O-N 3.09Å; T27-Q30 PolarHBondContact O-N 3.44Å; R28-Q30 PolarHBondContact O-N 2.94Å; Q30-K33 PolarHBondContact O-N 3.43Å; Q30-A34 PolarHBondContact O-N 3.49Å; Q30-A34 VanDerWaalsContact O-N 3.1Å |
| 31 | A | 83.1 | Confident | 82.5 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.008 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L15 Q18 L19 T27 R28 K33 A34 L35 | L15-A31 HydrophobicContact CD2-CB 4.25Å; Q18-A31 HydrophobicContact CB-CB 3.97Å; L19-A31 HydrophobicContact CB-CB 4.45Å; T27-A31 PolarHBondContact O-N 3.32Å; R28-A31 PolarHBondContact O-N 3.01Å; A31-K33 PolarHBondContact O-N 3.1Å; A31-A34 PolarHBondContact O-N 3.3Å; A31-L35 WeakPolarHBondContact O-CB 3.24Å; A31-L35 VanDerWaalsContact O-CG 3.25Å; A31-L35 WeakPolarHBondContact O-CG 3.35Å; A31-L35 PolarHBondContact O-N 3.4Å |
| 32 | E | 83.6 | Confident | 82 | Confident | 99 Ų | 99 | 75.9 Ų | 75.9 | 46% | 0.463 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.8 | -48.7 | 176.1 | -174 | 175.9 | -172.4 | 0 | 0 | 111.8 | L19 R28 L29 A34 L35 V36 | L19-E32 HydrophobicContact CD1-CB 3.89Å; L19-E32 HydrophobicContact CD1-CG 4.48Å; R28-E32 PolarHBondContact O-N 3.19Å; L29-E32 PolarHBondContact O-N 2.99Å; E32-A34 VanDerWaalsContact C-N 3.35Å; E32-A34 PolarHBondContact O-N 2.97Å; E32-L35 PolarHBondContact O-N 3.31Å; E32-V36 WeakPolarHBondContact O-CG2 3.22Å; E32-V36 PolarHBondContact O-N 3.36Å |
| 33 | K | 84.4 | Confident | 81.8 | Confident | 140 Ų | 140 | 77.5 Ų | 77.5 | 61% | 0.609 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -58 | -46.2 | 178.5 | -172.2 | 179.3 | 177.4 | -177.2 | 0 | 111.9 | L29 Q30 A31 L35 V36 E37 | L29-K33 WeakPolarHBondContact O-CB 3.33Å; L29-K33 PolarHBondContact O-N 2.61Å; Q30-K33 PolarHBondContact O-N 3.43Å; A31-K33 PolarHBondContact O-N 3.1Å; K33-L35 VanDerWaalsContact C-N 3.32Å; K33-L35 PolarHBondContact O-N 3.36Å; K33-V36 PolarHBondContact O-N 2.88Å; K33-E37 WeakPolarHBondContact O-CG 3.5Å; K33-E37 PolarHBondContact O-N 2.87Å |
| 34 | A | 82.4 | Confident | 81.9 | Confident | 32 Ų | 32 | 70.4 Ų | 70.4 | 26% | 0.264 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L15 Q30 A31 E32 E37 F38 | L15-A34 HydrophobicContact CD1-CB 3.95Å; L15-A34 HydrophobicContact CD2-CB 4.28Å; Q30-A34 PolarHBondContact O-N 3.49Å; Q30-A34 VanDerWaalsContact O-N 3.1Å; A31-A34 PolarHBondContact O-N 3.3Å; E32-A34 VanDerWaalsContact C-N 3.35Å; E32-A34 PolarHBondContact O-N 2.97Å; A34-E37 PolarHBondContact O-N 3.44Å; A34-F38 PolarHBondContact O-N 3.32Å |
| 35 | L | 81.8 | Confident | 81.8 | Confident | 9 Ų | 9 | 68.8 Ų | 68.8 | 5% | 0.047 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -73.5 | -32.7 | 177.7 | -69.9 | 173.1 | 0 | 0 | 0 | 112.9 | L12 L15 L19 A31 E32 K33 F38 T39 L63 | L12-L35 HydrophobicContact CD2-CD2 4.19Å; L15-L35 HydrophobicContact CB-CD2 4.12Å; L15-L35 HydrophobicContact CB-CG 4.26Å; L19-L35 HydrophobicContact CB-CD1 4.24Å; L19-L35 HydrophobicContact CD2-CD1 3.76Å; A31-L35 WeakPolarHBondContact O-CB 3.24Å; A31-L35 VanDerWaalsContact O-CG 3.25Å; A31-L35 WeakPolarHBondContact O-CG 3.35Å; A31-L35 PolarHBondContact O-N 3.4Å; E32-L35 PolarHBondContact O-N 3.31Å; K33-L35 VanDerWaalsContact C-N 3.32Å; K33-L35 PolarHBondContact O-N 3.36Å; L35-F38 PolarHBondContact O-N 3.39Å; L35-T39 PolarHBondContact O-N 3.41Å; L35-T39 PolarHBondContact O-OG1 3.01Å; L35-L63 HydrophobicContact CB-CD1 4.48Å; L35-L63 HydrophobicContact CD1-CD1 4.32Å; L35-L63 HydrophobicContact CD2-CD1 3.96Å; L35-L63 HydrophobicContact CD2-CD2 3.58Å; L35-L63 HydrophobicContact CD2-CG 4.44Å; L35-L63 HydrophobicContact CG-CD1 4.48Å |
| 36 | V | 80.5 | Confident | 81.8 | Confident | 70 Ų | 70 | 67.4 Ų | 67.4 | 42% | 0.424 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 171.2 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | E32 K33 F38 T39 N40 | E32-V36 WeakPolarHBondContact O-CG2 3.22Å; E32-V36 PolarHBondContact O-N 3.36Å; K33-V36 PolarHBondContact O-N 2.88Å; V36-F38 VanDerWaalsContact C-N 3.34Å; V36-F38 PolarHBondContact O-N 3.37Å; V36-T39 WeakPolarHBondContact O-CB 3.37Å; V36-T39 PolarHBondContact O-N 3.03Å; V36-N40 PolarHBondContact O-N 3.34Å |
| 37 | E | 81.5 | Confident | 81.6 | Confident | 119 Ų | 119 | 65.4 Ų | 65.4 | 56% | 0.556 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.7 | -43.6 | 174.6 | -73.4 | 174.5 | -169.4 | 0 | 0 | 111.6 | K33 A34 T39 N40 S41 | K33-E37 WeakPolarHBondContact O-CG 3.5Å; K33-E37 PolarHBondContact O-N 2.87Å; A34-E37 PolarHBondContact O-N 3.44Å; E37-T39 VanDerWaalsContact C-N 3.32Å; E37-T39 PolarHBondContact O-N 2.9Å; E37-N40 PolarHBondContact O-N 3.26Å; E37-N40 VanDerWaalsContact O-N 3.14Å; E37-S41 PolarHBondContact O-N 3.45Å |
| 38 | F | 82.3 | Confident | 81.7 | Confident | 17 Ų | 17 | 63.6 Ų | 63.6 | 8% | 0.075 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 174.2 | 167.2 | -106.8 | 0 | 0 | 0 | 112.5 | L12 A34 L35 V36 N40 S41 K47 L63 | L12-F38 HydrophobicContact CD1-CD2 3.98Å; L12-F38 HydrophobicContact CD1-CE2 3.72Å; L12-F38 HydrophobicContact CD1-CZ 4.05Å; L12-F38 HydrophobicContact CD2-CB 4.12Å; L12-F38 HydrophobicContact CD2-CD1 4.19Å; L12-F38 HydrophobicContact CD2-CD2 3.92Å; L12-F38 HydrophobicContact CD2-CE2 4.44Å; L12-F38 HydrophobicContact CD2-CG 3.78Å; A34-F38 PolarHBondContact O-N 3.32Å; L35-F38 PolarHBondContact O-N 3.39Å; V36-F38 VanDerWaalsContact C-N 3.34Å; V36-F38 PolarHBondContact O-N 3.37Å; F38-N40 PolarHBondContact O-N 3.25Å; F38-S41 VanDerWaalsContact O-CB 3.28Å; F38-S41 WeakPolarHBondContact O-CB 3.27Å; F38-S41 PolarHBondContact O-N 2.99Å; F38-S41 PolarHBondContact O-OG 2.97Å; F38-K47 HydrophobicContact CE2-CB 3.84Å; F38-K47 HydrophobicContact CE2-CD 3.76Å; F38-K47 HydrophobicContact CE2-CG 4.43Å; F38-K47 HydrophobicContact CZ-CB 3.89Å; F38-L63 HydrophobicContact CE1-CD2 4.47Å |
| 39 | T | 76 | Confident | 81.5 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.8 | -33.5 | -179.8 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | L35 V36 E37 S41 C67 K70 R74 | L35-T39 PolarHBondContact O-N 3.41Å; L35-T39 PolarHBondContact O-OG1 3.01Å; V36-T39 WeakPolarHBondContact O-CB 3.37Å; V36-T39 PolarHBondContact O-N 3.03Å; E37-T39 VanDerWaalsContact C-N 3.32Å; E37-T39 PolarHBondContact O-N 2.9Å; T39-S41 VanDerWaalsContact C-N 3.35Å; T39-C67 PolarHBondContact OG1-SG 3.22Å; T39-K70 HydrophobicContact CG2-CB 4.07Å; T39-K70 HydrophobicContact CG2-CD 4.05Å; T39-R74 PolarHBondContact O-NH2 2.9Å |
| 40 | N | 76.2 | Confident | 81.5 | Confident | 109 Ų | 109 | 59.2 Ų | 59.2 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -3.2 | 178.6 | -65.1 | -28.6 | 0 | 0 | 0 | 114.5 | V36 E37 F38 R74 | V36-N40 PolarHBondContact O-N 3.34Å; E37-N40 PolarHBondContact O-N 3.26Å; E37-N40 VanDerWaalsContact O-N 3.14Å; F38-N40 PolarHBondContact O-N 3.25Å; N40-R74 PolarHBondContact OD1-NH2 3.45Å |
| 41 | S | 80.5 | Confident | 81.4 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 19% | 0.189 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -74.7 | 149 | 179.1 | 74.1 | 0 | 0 | 0 | 0 | 112.9 | E37 F38 T39 D43 C44 | E37-S41 PolarHBondContact O-N 3.45Å; F38-S41 VanDerWaalsContact O-CB 3.28Å; F38-S41 WeakPolarHBondContact O-CB 3.27Å; F38-S41 PolarHBondContact O-N 2.99Å; F38-S41 PolarHBondContact O-OG 2.97Å; T39-S41 VanDerWaalsContact C-N 3.35Å; S41-D43 VanDerWaalsContact C-N 3.28Å; S41-D43 PolarHBondContact O-N 3.49Å; S41-C44 WeakPolarHBondContact O-CB 3.34Å; S41-C44 PolarHBondContact O-N 3.43Å |
| 42 | P | 75.3 | Confident | 81.4 | Confident | 130 Ų | 130 | 52.8 Ų | 52.8 | 84% | 0.844 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -28.2 | 177.9 | 26.3 | -34.1 | 0 | 0 | 0 | 112.9 | C44 | P42-C44 PolarHBondContact O-N 2.95Š|
| 43 | D | 79.4 | Confident | 81.3 | Confident | 80 Ų | 80 | 53.1 Ų | 53.1 | 43% | 0.428 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -3.3 | 179.5 | -60 | -21.2 | 0 | 0 | 0 | 113.7 | S41 L45 S46 K47 | S41-D43 VanDerWaalsContact C-N 3.28Å; S41-D43 PolarHBondContact O-N 3.49Å; D43-L45 VanDerWaalsContact C-N 3.31Å; D43-L45 PolarHBondContact O-N 3.29Å; D43-S46 PolarHBondContact O-N 3.06Å; D43-S46 PolarHBondContact O-OG 2.89Å; D43-K47 HydrophobicContact CB-CD 3.87Å; D43-K47 HydrophobicContact CB-CG 4.38Å; D43-K47 PolarHBondContact O-N 3.21Å; D43-K47 IonicContact OD2-NZ 3.65Å; D43-K47 PolarHBondContact OD2-NZ 2.93Å |
| 44 | C | 82.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -52.5 | -45.7 | -170 | -178.8 | 0 | 0 | 0 | 0 | 112.5 | S41 P42 K47 C48 L71 | S41-C44 WeakPolarHBondContact O-CB 3.34Å; S41-C44 PolarHBondContact O-N 3.43Å; P42-C44 PolarHBondContact O-N 2.95Å; C44-K47 PolarHBondContact O-N 3.21Å; C44-C48 WeakPolarHBondContact O-CB 3.47Å; C44-C48 PolarHBondContact O-N 3.17Å; C44-C48 PolarHBondContact O-SG 2.93Å; C44-L71 HydrophobicContact CB-CD1 3.88Å |
| 45 | L | 83.1 | Confident | 79.7 | Confident | 31 Ų | 31 | 51.6 Ų | 51.6 | 16% | 0.162 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.8 | -52 | -179.6 | -179.2 | 62.9 | 0 | 0 | 0 | 112.2 | D43 K47 C48 Q49 L68 I87 | D43-L45 VanDerWaalsContact C-N 3.31Å; D43-L45 PolarHBondContact O-N 3.29Å; L45-K47 VanDerWaalsContact C-N 3.33Å; L45-K47 PolarHBondContact O-N 3.32Å; L45-C48 PolarHBondContact O-N 3.04Å; L45-Q49 PolarHBondContact O-N 3.38Å; L45-Q49 VanDerWaalsContact O-N 3.11Å; L45-L68 HydrophobicContact CD1-CD2 3.6Å; L45-I87 HydrophobicContact CD1-CD1 3.72Å; L45-I87 HydrophobicContact CD1-CG1 4.12Å |
| 46 | S | 83.1 | Confident | 79.1 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 39% | 0.385 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | -179.4 | 68.1 | 0 | 0 | 0 | 0 | 112.5 | D43 L50 | D43-S46 PolarHBondContact O-N 3.06Å; D43-S46 PolarHBondContact O-OG 2.89Å; S46-L50 WeakPolarHBondContact O-CG 3.47Å; S46-L50 PolarHBondContact O-N 3.47Å |
| 47 | K | 82.3 | Confident | 79.1 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 19% | 0.191 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72.1 | -36.2 | 178.3 | -73 | 171.4 | -176.3 | 159.3 | 0 | 111.6 | F38 D43 C44 L45 L50 L51 | F38-K47 HydrophobicContact CE2-CB 3.84Å; F38-K47 HydrophobicContact CE2-CD 3.76Å; F38-K47 HydrophobicContact CE2-CG 4.43Å; F38-K47 HydrophobicContact CZ-CB 3.89Å; D43-K47 HydrophobicContact CB-CD 3.87Å; D43-K47 HydrophobicContact CB-CG 4.38Å; D43-K47 PolarHBondContact O-N 3.21Å; D43-K47 IonicContact OD2-NZ 3.65Å; D43-K47 PolarHBondContact OD2-NZ 2.93Å; C44-K47 PolarHBondContact O-N 3.21Å; L45-K47 VanDerWaalsContact C-N 3.33Å; L45-K47 PolarHBondContact O-N 3.32Å; K47-L50 PolarHBondContact O-N 2.78Å; K47-L51 VanDerWaalsContact O-CG 3.25Å; K47-L51 WeakPolarHBondContact O-CG 3.49Å; K47-L51 PolarHBondContact O-N 3.42Å |
| 48 | C | 84.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 174.5 | -70.1 | 0 | 0 | 0 | 0 | 112.2 | C44 L45 L51 L52 A64 L68 | C44-C48 WeakPolarHBondContact O-CB 3.47Å; C44-C48 PolarHBondContact O-N 3.17Å; C44-C48 PolarHBondContact O-SG 2.93Å; L45-C48 PolarHBondContact O-N 3.04Å; C48-L51 PolarHBondContact O-N 2.92Å; C48-L52 WeakPolarHBondContact O-CG 3.4Å; C48-L52 PolarHBondContact O-N 3.08Å; C48-L52 VanDerWaalsContact O-N 3.09Å; C48-A64 HydrophobicContact CB-CB 4.12Å; C48-L68 HydrophobicContact CB-CD1 4.14Å; C48-L68 HydrophobicContact CB-CD2 3.89Å; C48-L68 HydrophobicContact CB-CG 3.83Å |
| 49 | Q | 82.3 | Confident | 79.3 | Confident | 73 Ų | 73 | 52.3 Ų | 52.3 | 34% | 0.341 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60 | -49.1 | 173.6 | -73.1 | 175.1 | -19.7 | 0 | 0 | 111.2 | L45 L51 L52 E53 | L45-Q49 PolarHBondContact O-N 3.38Å; L45-Q49 VanDerWaalsContact O-N 3.11Å; Q49-L51 VanDerWaalsContact C-N 3.31Å; Q49-L51 PolarHBondContact O-N 3.42Å; Q49-L52 PolarHBondContact O-N 2.74Å; Q49-L52 VanDerWaalsContact O-N 3.14Å; Q49-E53 WeakPolarHBondContact O-CG 3.45Å; Q49-E53 PolarHBondContact O-N 3.04Å |
| 50 | L | 82.1 | Confident | 79.7 | Confident | 60 Ų | 60 | 52 Ų | 52 | 31% | 0.314 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61 | -36.3 | 177.6 | -72 | 168.4 | 0 | 0 | 0 | 113.2 | L9 S46 K47 R54 | L9-L50 HydrophobicContact CD1-CB 4.11Å; L9-L50 HydrophobicContact CD1-CD1 4.22Å; L9-L50 HydrophobicContact CD2-CB 4.27Å; S46-L50 WeakPolarHBondContact O-CG 3.47Å; S46-L50 PolarHBondContact O-N 3.47Å; K47-L50 PolarHBondContact O-N 2.78Å; L50-R54 WeakPolarHBondContact O-CB 3.36Å; L50-R54 WeakPolarHBondContact O-CG 3.48Å; L50-R54 PolarHBondContact O-N 3.24Å; L50-R54 VanDerWaalsContact O-N 3.08Å |
| 51 | L | 82.7 | Confident | 80.2 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 175.6 | -74 | 170.7 | 0 | 0 | 0 | 111.8 | L9 E13 K47 C48 Q49 G55 A64 | L9-L51 HydrophobicContact CD2-CD2 3.52Å; L9-L51 HydrophobicContact CD2-CG 3.65Å; E13-L51 HydrophobicContact CG-CD2 4.2Å; K47-L51 VanDerWaalsContact O-CG 3.25Å; K47-L51 WeakPolarHBondContact O-CG 3.49Å; K47-L51 PolarHBondContact O-N 3.42Å; C48-L51 PolarHBondContact O-N 2.92Å; Q49-L51 VanDerWaalsContact C-N 3.31Å; Q49-L51 PolarHBondContact O-N 3.42Å; L51-G55 PolarHBondContact O-N 2.86Å; L51-A64 HydrophobicContact CB-CB 4.05Å; L51-A64 HydrophobicContact CD1-CB 4.45Å |
| 52 | L | 83.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.5 | -40 | 176.8 | -69.1 | 169.9 | 0 | 0 | 0 | 111.9 | C48 Q49 Q61 A64 L68 Y90 Y94 R98 L109 | C48-L52 WeakPolarHBondContact O-CG 3.4Å; C48-L52 PolarHBondContact O-N 3.08Å; C48-L52 VanDerWaalsContact O-N 3.09Å; Q49-L52 PolarHBondContact O-N 2.74Å; Q49-L52 VanDerWaalsContact O-N 3.14Å; L52-Q61 HydrophobicContact CD2-CB 4.16Å; L52-Q61 HydrophobicContact CD2-CG 4.39Å; L52-A64 HydrophobicContact CD1-CB 4.26Å; L52-A64 HydrophobicContact CD2-CB 4Å; L52-A64 HydrophobicContact CG-CB 3.77Å; L52-L68 HydrophobicContact CD1-CD1 3.99Å; L52-Y90 HydrophobicContact CB-CE1 4.19Å; L52-Y90 HydrophobicContact CD1-CE1 3.84Å; L52-Y94 HydrophobicContact CB-CE2 4.22Å; L52-Y94 WeakPolarHBondContact O-CE2 3.28Å; L52-Y94 PolarHBondContact O-OH 2.66Å; L52-Y94 VanDerWaalsContact O-OH 3.14Å; L52-R98 PolarHBondContact O-NH1 3.43Å; L52-L109 HydrophobicContact CD2-CD2 4.34Å |
| 53 | E | 80.4 | Confident | 81 | Confident | 107 Ų | 107 | 41.7 Ų | 41.7 | 50% | 0.5 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.4 | -44.7 | 178.8 | -73.7 | 177.5 | 177.6 | 0 | 0 | 112.6 | Q49 | Q49-E53 WeakPolarHBondContact O-CG 3.45Å; Q49-E53 PolarHBondContact O-N 3.04Å |
| 54 | R | 73 | Confident | 81.4 | Confident | 107 Ų | 107 | 37.9 Ų | 37.9 | 40% | 0.404 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -76.7 | -24.8 | -174.7 | -71.3 | -175.4 | 179 | 179.1 | 5.1 | 114.3 | L9 L50 S56 | L9-R54 VanDerWaalsContact CD1-NH1 3.34Å; L50-R54 WeakPolarHBondContact O-CB 3.36Å; L50-R54 WeakPolarHBondContact O-CG 3.48Å; L50-R54 PolarHBondContact O-N 3.24Å; L50-R54 VanDerWaalsContact O-N 3.08Å; R54-S56 PolarHBondContact O-N 2.83Å |
| 55 | G | 61.4 | Low | 81.7 | Confident | 32 Ų | 32 | 37.9 Ų | 37.9 | 33% | 0.33 | 21% | 0.206 | S | C | . | . | trans | 52.9 | 27.7 | 163 | 0 | 0 | 0 | 0 | 0 | 117.4 | L51 | L51-G55 PolarHBondContact O-N 2.86Š| ||
| 56 | S | 67.3 | Low | 81.9 | Confident | 79 Ų | 79 | 38.9 Ų | 38.9 | 55% | 0.552 | 21% | 0.213 | S | C | * | . | trans | -75.5 | -25.8 | -175.5 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | E13 R54 | E13-S56 VanDerWaalsContact CD-OG 3.31Å; E13-S56 PolarHBondContact OE1-OG 2.65Å; R54-S56 PolarHBondContact O-N 2.83Å | ||
| 57 | S | 82 | Confident | 82.1 | Confident | 36 Ų | 36 | 36.4 Ų | 36.4 | 25% | 0.252 | 20% | 0.195 | S | C | . | . | trans | -146.3 | 133.7 | -176.5 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | Y59 S60 Q61 | S57-Y59 VanDerWaalsContact C-N 3.27Å; S57-Y59 PolarHBondContact O-N 3.47Å; S57-Y59 PolarHBondContact OG-N 3Å; S57-S60 WeakPolarHBondContact O-CB 3.45Å; S57-S60 PolarHBondContact O-N 2.86Å; S57-S60 VanDerWaalsContact O-N 3.17Å; S57-Q61 PolarHBondContact O-N 3.08Å | ||
| 58 | S | 84.9 | Confident | 82.4 | Confident | 46 Ų | 46 | 34.5 Ų | 34.5 | 32% | 0.322 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63 | -32 | 177 | -52.7 | 0 | 0 | 0 | 0 | 112.6 | S60 Q61 L62 F104 V105 | S58-S60 VanDerWaalsContact C-N 3.32Å; S58-S60 PolarHBondContact O-N 3.26Å; S58-Q61 PolarHBondContact O-N 3.16Å; S58-L62 PolarHBondContact O-N 3.39Å; S58-F104 VanDerWaalsContact CB-CZ 3.47Å; S58-V105 VanDerWaalsContact O-CG2 3.27Å; S58-V105 WeakPolarHBondContact O-CG2 3.44Å |
| 59 | Y | 83.5 | Confident | 82.6 | Confident | 70 Ų | 70 | 35.4 Ų | 35.4 | 28% | 0.275 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68 | -32.9 | 175.9 | -64.2 | -63.5 | 0 | 0 | 0 | 112.5 | Y20 E21 S57 L62 L63 | Y20-Y59 HydrophobicContact CD1-CD1 4.49Å; Y20-Y59 HydrophobicContact CD1-CE1 4.46Å; Y20-Y59 AromaticContact CD2-CD1 3.41Å; Y20-Y59 HydrophobicContact CD2-CD1 3.41Å; Y20-Y59 VanDerWaalsContact CD2-CD1 3.41Å; Y20-Y59 HydrophobicContact CD2-CE1 4.07Å; Y20-Y59 AromaticContact CD2-CG 3.96Å; Y20-Y59 HydrophobicContact CD2-CG 3.96Å; Y20-Y59 HydrophobicContact CE2-CD1 4.07Å; Y20-Y59 AromaticContact CG-CD1 3.67Å; Y20-Y59 HydrophobicContact CG-CD1 3.67Å; Y20-Y59 AromaticContact CG-CE1 3.82Å; Y20-Y59 HydrophobicContact CG-CE1 3.82Å; Y20-Y59 HydrophobicContact CG-CG 4.47Å; E21-Y59 HydrophobicContact CG-CE2 4.27Å; E21-Y59 WeakPolarHBondContact OE1-CE2 3.33Å; S57-Y59 VanDerWaalsContact C-N 3.27Å; S57-Y59 PolarHBondContact O-N 3.47Å; S57-Y59 PolarHBondContact OG-N 3Å; Y59-L62 PolarHBondContact O-N 2.91Å; Y59-L63 PolarHBondContact O-N 3.16Å |
| 60 | S | 83.3 | Confident | 82.7 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.4 | -35.4 | 177.4 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | E13 S57 S58 A64 | E13-S60 WeakPolarHBondContact CG-OG 3.45Å; S57-S60 WeakPolarHBondContact O-CB 3.45Å; S57-S60 PolarHBondContact O-N 2.86Å; S57-S60 VanDerWaalsContact O-N 3.17Å; S58-S60 VanDerWaalsContact C-N 3.32Å; S58-S60 PolarHBondContact O-N 3.26Å; S60-A64 WeakPolarHBondContact O-CB 3.37Å; S60-A64 PolarHBondContact O-N 3.15Å |
| 61 | Q | 87.8 | Confident | 82.9 | Confident | 12 Ų | 12 | 35.2 Ų | 35.2 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -41.6 | 171.1 | -63.9 | 170.9 | -26.9 | 0 | 0 | 111.5 | L52 S57 S58 A64 A65 Y94 V105 | L52-Q61 HydrophobicContact CD2-CB 4.16Å; L52-Q61 HydrophobicContact CD2-CG 4.39Å; S57-Q61 PolarHBondContact O-N 3.08Å; S58-Q61 PolarHBondContact O-N 3.16Å; Q61-A64 PolarHBondContact O-N 3.38Å; Q61-A65 PolarHBondContact O-N 3.32Å; Q61-Y94 PolarHBondContact NE2-OH 2.99Å; Q61-V105 HydrophobicContact CB-CG1 3.59Å; Q61-V105 HydrophobicContact CB-CG2 4.13Å |
| 62 | L | 86.6 | Confident | 83 | Confident | 25 Ų | 25 | 35.6 Ų | 35.6 | 13% | 0.131 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 174.6 | 177.9 | 63.3 | 0 | 0 | 0 | 111.9 | Y20 S58 Y59 A65 T66 F104 A108 | Y20-L62 HydrophobicContact CE1-CD2 4.39Å; Y20-L62 HydrophobicContact CE2-CD2 4.19Å; S58-L62 PolarHBondContact O-N 3.39Å; Y59-L62 PolarHBondContact O-N 2.91Å; L62-A65 PolarHBondContact O-N 3.12Å; L62-T66 WeakPolarHBondContact O-CB 3.43Å; L62-T66 PolarHBondContact O-N 3.09Å; L62-T66 PolarHBondContact O-OG1 3.22Å; L62-F104 HydrophobicContact CB-CD2 4.23Å; L62-F104 HydrophobicContact CB-CE2 4.19Å; L62-F104 HydrophobicContact CD1-CD2 4.34Å; L62-F104 HydrophobicContact CD2-CD2 3.91Å; L62-F104 HydrophobicContact CD2-CE2 4.19Å; L62-F104 HydrophobicContact CG-CD2 4.39Å; L62-A108 HydrophobicContact CD1-CB 3.5Å; L62-A108 VanDerWaalsContact CD1-CB 3.5Å |
| 63 | L | 85.5 | Confident | 83 | Confident | 14 Ų | 14 | 36.8 Ų | 36.8 | 7% | 0.073 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.3 | -50.1 | 174.7 | 178 | 73.8 | 0 | 0 | 0 | 110.4 | C16 L35 F38 Y59 A65 T66 C67 | C16-L63 WeakPolarHBondContact SG-CD2 3.14Å; L35-L63 HydrophobicContact CB-CD1 4.48Å; L35-L63 HydrophobicContact CD1-CD1 4.32Å; L35-L63 HydrophobicContact CD2-CD1 3.96Å; L35-L63 HydrophobicContact CD2-CD2 3.58Å; L35-L63 HydrophobicContact CD2-CG 4.44Å; L35-L63 HydrophobicContact CG-CD1 4.48Å; F38-L63 HydrophobicContact CE1-CD2 4.47Å; Y59-L63 PolarHBondContact O-N 3.16Å; L63-A65 PolarHBondContact O-N 3.24Å; L63-T66 PolarHBondContact O-N 3.33Å; L63-C67 WeakPolarHBondContact O-CB 3.49Å; L63-C67 PolarHBondContact O-N 2.62Å; L63-C67 PolarHBondContact O-SG 2.57Å; L63-C67 VanDerWaalsContact O-SG 3.36Å |
| 64 | A | 87 | Confident | 83 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.4 | -47.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C48 L51 L52 S60 Q61 T66 C67 L68 | C48-A64 HydrophobicContact CB-CB 4.12Å; L51-A64 HydrophobicContact CB-CB 4.05Å; L51-A64 HydrophobicContact CD1-CB 4.45Å; L52-A64 HydrophobicContact CD1-CB 4.26Å; L52-A64 HydrophobicContact CD2-CB 4Å; L52-A64 HydrophobicContact CG-CB 3.77Å; S60-A64 WeakPolarHBondContact O-CB 3.37Å; S60-A64 PolarHBondContact O-N 3.15Å; Q61-A64 PolarHBondContact O-N 3.38Å; A64-T66 PolarHBondContact O-N 2.97Å; A64-C67 PolarHBondContact O-N 3.1Å; A64-L68 WeakPolarHBondContact O-CB 3.29Å; A64-L68 WeakPolarHBondContact O-CG 3.45Å; A64-L68 PolarHBondContact O-N 2.92Å |
| 65 | A | 89.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q61 L62 L63 L68 T69 A108 L109 | Q61-A65 PolarHBondContact O-N 3.32Å; L62-A65 PolarHBondContact O-N 3.12Å; L63-A65 PolarHBondContact O-N 3.24Å; A65-L68 PolarHBondContact O-N 3.08Å; A65-T69 PolarHBondContact O-N 3.38Å; A65-T69 PolarHBondContact O-OG1 3.42Å; A65-A108 HydrophobicContact CB-CB 3.8Å; A65-L109 HydrophobicContact CB-CD2 3.9Å; A65-L109 HydrophobicContact CB-CG 4.23Å |
| 66 | T | 87.9 | Confident | 82.5 | Confident | 52 Ų | 52 | 39.3 Ų | 39.3 | 32% | 0.319 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67 | -41.6 | -178.8 | -51.9 | 0 | 0 | 0 | 0 | 112.5 | L62 L63 A64 T69 K70 | L62-T66 WeakPolarHBondContact O-CB 3.43Å; L62-T66 PolarHBondContact O-N 3.09Å; L62-T66 PolarHBondContact O-OG1 3.22Å; L63-T66 PolarHBondContact O-N 3.33Å; A64-T66 PolarHBondContact O-N 2.97Å; T66-T69 PolarHBondContact O-N 2.96Å; T66-K70 WeakPolarHBondContact O-CG 3.25Å; T66-K70 PolarHBondContact O-N 3.13Å |
| 67 | C | 87 | Confident | 82.5 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 175.9 | -74.6 | 0 | 0 | 0 | 0 | 111.2 | T39 L63 A64 T69 K70 L71 | T39-C67 PolarHBondContact OG1-SG 3.22Å; L63-C67 WeakPolarHBondContact O-CB 3.49Å; L63-C67 PolarHBondContact O-N 2.62Å; L63-C67 PolarHBondContact O-SG 2.57Å; L63-C67 VanDerWaalsContact O-SG 3.36Å; A64-C67 PolarHBondContact O-N 3.1Å; C67-T69 VanDerWaalsContact C-N 3.35Å; C67-T69 PolarHBondContact O-N 3.5Å; C67-K70 PolarHBondContact O-N 3.41Å; C67-L71 VanDerWaalsContact O-CB 3.28Å; C67-L71 WeakPolarHBondContact O-CB 3.25Å; C67-L71 PolarHBondContact O-N 2.92Å |
| 68 | L | 88.3 | Confident | 82.3 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -41.9 | 174.2 | -71.1 | 172.7 | 0 | 0 | 0 | 111.4 | L45 C48 L52 A64 A65 K70 L71 V72 L112 | L45-L68 HydrophobicContact CD1-CD2 3.6Å; C48-L68 HydrophobicContact CB-CD1 4.14Å; C48-L68 HydrophobicContact CB-CD2 3.89Å; C48-L68 HydrophobicContact CB-CG 3.83Å; L52-L68 HydrophobicContact CD1-CD1 3.99Å; A64-L68 WeakPolarHBondContact O-CB 3.29Å; A64-L68 WeakPolarHBondContact O-CG 3.45Å; A64-L68 PolarHBondContact O-N 2.92Å; A65-L68 PolarHBondContact O-N 3.08Å; L68-K70 VanDerWaalsContact C-N 3.35Å; L68-K70 PolarHBondContact O-N 2.78Å; L68-L71 PolarHBondContact O-N 3.48Å; L68-L71 VanDerWaalsContact O-N 3.15Å; L68-V72 VanDerWaalsContact O-CG2 3.29Å; L68-V72 WeakPolarHBondContact O-CG2 3.18Å; L68-V72 PolarHBondContact O-N 3.2Å; L68-L112 HydrophobicContact CB-CD1 3.94Å; L68-L112 HydrophobicContact CB-CD2 3.65Å; L68-L112 HydrophobicContact CB-CG 4.47Å; L68-L112 HydrophobicContact CD1-CD2 3.91Å; L68-L112 HydrophobicContact CG-CD2 4.45Å |
| 69 | T | 88.4 | Confident | 82.2 | Confident | 20 Ų | 20 | 44 Ų | 44 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 177.1 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | A65 T66 C67 L71 S73 L112 R115 | A65-T69 PolarHBondContact O-N 3.38Å; A65-T69 PolarHBondContact O-OG1 3.42Å; T66-T69 PolarHBondContact O-N 2.96Å; C67-T69 VanDerWaalsContact C-N 3.35Å; C67-T69 PolarHBondContact O-N 3.5Å; T69-L71 VanDerWaalsContact C-N 3.35Å; T69-S73 VanDerWaalsContact O-CB 3.3Å; T69-S73 WeakPolarHBondContact O-CB 3.45Å; T69-S73 PolarHBondContact O-N 2.8Å; T69-S73 VanDerWaalsContact O-N 3.1Å; T69-S73 PolarHBondContact O-OG 3.11Å; T69-L112 WeakPolarHBondContact OG1-CA 3.42Å; T69-L112 WeakPolarHBondContact OG1-CB 3.19Å; T69-R115 HydrophobicContact CG2-CB 4.25Å; T69-R115 HydrophobicContact CG2-CG 4.03Å |
| 70 | K | 85.5 | Confident | 82.4 | Confident | 114 Ų | 114 | 44 Ų | 44 | 50% | 0.496 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 174.8 | -73.6 | -179.8 | 178.8 | -179.1 | 0 | 111.7 | T39 T66 C67 L68 S73 R74 | T39-K70 HydrophobicContact CG2-CB 4.07Å; T39-K70 HydrophobicContact CG2-CD 4.05Å; T66-K70 WeakPolarHBondContact O-CG 3.25Å; T66-K70 PolarHBondContact O-N 3.13Å; C67-K70 PolarHBondContact O-N 3.41Å; L68-K70 VanDerWaalsContact C-N 3.35Å; L68-K70 PolarHBondContact O-N 2.78Å; K70-S73 PolarHBondContact O-N 3.32Å; K70-R74 PolarHBondContact O-N 3.2Å |
| 71 | L | 85.1 | Confident | 82.5 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.7 | -41.8 | -176 | -162.5 | 150.7 | 0 | 0 | 0 | 111.7 | C44 C67 L68 T69 S73 R74 L79 | C44-L71 HydrophobicContact CB-CD1 3.88Å; C67-L71 VanDerWaalsContact O-CB 3.28Å; C67-L71 WeakPolarHBondContact O-CB 3.25Å; C67-L71 PolarHBondContact O-N 2.92Å; L68-L71 PolarHBondContact O-N 3.48Å; L68-L71 VanDerWaalsContact O-N 3.15Å; T69-L71 VanDerWaalsContact C-N 3.35Å; L71-S73 VanDerWaalsContact C-N 3.29Å; L71-S73 PolarHBondContact O-N 3.08Å; L71-R74 PolarHBondContact O-N 3.42Å; L71-L79 HydrophobicContact CD2-CD1 3.39Å; L71-L79 HydrophobicContact CD2-CD2 3.45Å; L71-L79 VanDerWaalsContact CD2-CD2 3.45Å; L71-L79 HydrophobicContact CD2-CG 3.4Å; L71-L79 VanDerWaalsContact CD2-CG 3.4Å |
| 72 | V | 86 | Confident | 82.5 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.4 | -28.7 | 174.7 | 175.8 | 0 | 0 | 0 | 0 | 111.8 | L68 R74 L79 I87 L112 I116 L119 | L68-V72 VanDerWaalsContact O-CG2 3.29Å; L68-V72 WeakPolarHBondContact O-CG2 3.18Å; L68-V72 PolarHBondContact O-N 3.2Å; V72-R74 VanDerWaalsContact C-N 3.3Å; V72-R74 PolarHBondContact O-N 3.41Å; V72-L79 HydrophobicContact CG2-CD1 4.06Å; V72-I87 HydrophobicContact CG2-CD1 4.25Å; V72-L112 HydrophobicContact CG2-CD1 4.4Å; V72-I116 HydrophobicContact CG1-CB 3.9Å; V72-I116 HydrophobicContact CG1-CD1 3.96Å; V72-I116 HydrophobicContact CG1-CG1 3.64Å; V72-I116 HydrophobicContact CG2-CD1 3.93Å; V72-L119 HydrophobicContact CG1-CD1 4.03Å; V72-L119 WeakPolarHBondContact O-CD1 3.15Å |
| 73 | S | 83.3 | Confident | 82.5 | Confident | 24 Ų | 24 | 54.5 Ų | 54.5 | 17% | 0.168 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 0.6 | -179.6 | -56.5 | 0 | 0 | 0 | 0 | 114.4 | T69 K70 L71 T75 R115 | T69-S73 VanDerWaalsContact O-CB 3.3Å; T69-S73 WeakPolarHBondContact O-CB 3.45Å; T69-S73 PolarHBondContact O-N 2.8Å; T69-S73 VanDerWaalsContact O-N 3.1Å; T69-S73 PolarHBondContact O-OG 3.11Å; K70-S73 PolarHBondContact O-N 3.32Å; L71-S73 VanDerWaalsContact C-N 3.29Å; L71-S73 PolarHBondContact O-N 3.08Å; S73-T75 PolarHBondContact O-N 2.87Å; S73-R115 WeakPolarHBondContact OG-CG 3.39Å |
| 74 | R | 80.5 | Confident | 82.7 | Confident | 77 Ų | 77 | 55.6 Ų | 55.6 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | trans | -70.1 | 127.3 | 179.1 | -73 | -177.2 | 173.7 | 154.8 | 4.6 | 111.4 | T39 N40 K70 L71 V72 | T39-R74 PolarHBondContact O-NH2 2.9Å; N40-R74 PolarHBondContact OD1-NH2 3.45Å; K70-R74 PolarHBondContact O-N 3.2Å; L71-R74 PolarHBondContact O-N 3.42Å; V72-R74 VanDerWaalsContact C-N 3.3Å; V72-R74 PolarHBondContact O-N 3.41Å | ||
| 75 | T | 66.6 | Low | 82.7 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -81 | -38.3 | 171.7 | 47.5 | 0 | 0 | 0 | 0 | 111.9 | S73 N77 | S73-T75 PolarHBondContact O-N 2.87Å; T75-N77 PolarHBondContact O-N 3.33Å |
| 76 | N | 57.4 | Low | 82.7 | Confident | 140 Ų | 140 | 60.8 Ų | 60.8 | 75% | 0.749 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -84.1 | 111.5 | 176.9 | -64.6 | -12.5 | 0 | 0 | 0 | 109.4 | ||
| 77 | N | 67.3 | Low | 82.8 | Confident | 152 Ų | 152 | 58.6 Ų | 58.6 | 81% | 0.813 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 64.8 | 69.6 | -176.9 | -161.3 | 23.7 | 0 | 0 | 0 | 114 | T75 | T75-N77 PolarHBondContact O-N 3.33Š|
| 78 | P | 76.8 | Confident | 83 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 53% | 0.532 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 150.8 | 179.9 | 29.6 | -35.4 | 0 | 0 | 0 | 111.8 | ||
| 79 | L | 83.7 | Confident | 83.1 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 13% | 0.131 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 143.5 | 173.8 | -75.6 | -178.7 | 0 | 0 | 0 | 112 | L71 V72 R84 I87 | L71-L79 HydrophobicContact CD2-CD1 3.39Å; L71-L79 HydrophobicContact CD2-CD2 3.45Å; L71-L79 VanDerWaalsContact CD2-CD2 3.45Å; L71-L79 HydrophobicContact CD2-CG 3.4Å; L71-L79 VanDerWaalsContact CD2-CG 3.4Å; V72-L79 HydrophobicContact CG2-CD1 4.06Å; L79-R84 HydrophobicContact CB-CG 3.68Å; L79-R84 HydrophobicContact CD1-CG 4.29Å; L79-R84 PolarHBondContact O-NE 3.32Å; L79-I87 HydrophobicContact CD1-CD1 3.52Å |
| 80 | P | 86.9 | Confident | 83.1 | Confident | 72 Ų | 72 | 63.7 Ų | 63.7 | 47% | 0.468 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 147.3 | 170.1 | -24.7 | 33.6 | 0 | 0 | 0 | 112.3 | E82 Q83 R84 | P80-E82 VanDerWaalsContact C-N 3.31Å; P80-E82 PolarHBondContact O-N 3.43Å; P80-Q83 HydrophobicContact CB-CG 4.38Å; P80-Q83 HydrophobicContact CG-CG 4.44Å; P80-Q83 PolarHBondContact O-N 3.13Å; P80-R84 PolarHBondContact O-N 2.95Å; P80-R84 VanDerWaalsContact O-N 3.08Å |
| 81 | L | 85.6 | Confident | 83.4 | Confident | 50 Ų | 50 | 58.3 Ų | 58.3 | 26% | 0.262 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.1 | -44.7 | -179 | 176.8 | 58 | 0 | 0 | 0 | 112.3 | Q83 R84 I85 D123 C124 F131 | L81-Q83 PolarHBondContact O-N 2.94Å; L81-R84 PolarHBondContact O-N 3.4Å; L81-R84 VanDerWaalsContact O-N 3.13Å; L81-I85 HydrophobicContact CD1-CD1 3.94Å; L81-I85 HydrophobicContact CD1-CG1 4.14Å; L81-I85 HydrophobicContact CG-CD1 3.88Å; L81-I85 HydrophobicContact CG-CG1 4.48Å; L81-I85 WeakPolarHBondContact O-CG1 3.47Å; L81-I85 PolarHBondContact O-N 2.81Å; L81-D123 HydrophobicContact CD1-CB 3.57Å; L81-D123 HydrophobicContact CD2-CB 4.5Å; L81-C124 WeakPolarHBondContact CD2-O 3.22Å; L81-F131 HydrophobicContact CD1-CE2 3.81Å; L81-F131 HydrophobicContact CD1-CZ 4.48Å |
| 82 | E | 87.3 | Confident | 83.5 | Confident | 135 Ų | 135 | 58.1 Ų | 58.1 | 63% | 0.631 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58.1 | -47.3 | 179 | -64.5 | -177 | 165 | 0 | 0 | 111.7 | P80 R84 I85 D86 | P80-E82 VanDerWaalsContact C-N 3.31Å; P80-E82 PolarHBondContact O-N 3.43Å; E82-R84 VanDerWaalsContact C-N 3.29Å; E82-R84 PolarHBondContact O-N 3.46Å; E82-I85 PolarHBondContact O-N 3.16Å; E82-I85 VanDerWaalsContact O-N 3.16Å; E82-D86 VanDerWaalsContact O-CG 3.29Å; E82-D86 PolarHBondContact O-N 3.36Å |
| 83 | Q | 86.9 | Confident | 83.7 | Confident | 74 Ų | 74 | 62.6 Ų | 62.6 | 35% | 0.346 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.8 | -34.8 | 177.7 | -66.1 | -176.1 | 3.3 | 0 | 0 | 112.2 | P80 L81 D86 I87 | P80-Q83 HydrophobicContact CB-CG 4.38Å; P80-Q83 HydrophobicContact CG-CG 4.44Å; P80-Q83 PolarHBondContact O-N 3.13Å; L81-Q83 PolarHBondContact O-N 2.94Å; Q83-D86 PolarHBondContact O-N 3.49Å; Q83-I87 WeakPolarHBondContact O-CD1 3.11Å; Q83-I87 WeakPolarHBondContact O-CG1 3.46Å; Q83-I87 PolarHBondContact O-N 3.39Å |
| 84 | R | 89.6 | Confident | 83.9 | Confident | 36 Ų | 36 | 61.9 Ų | 61.9 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.1 | -40.5 | 175.4 | -69.6 | -172 | -74.6 | 141.5 | 7 | 111.7 | L79 P80 L81 E82 D86 R88 I116 D123 F131 | L79-R84 HydrophobicContact CB-CG 3.68Å; L79-R84 HydrophobicContact CD1-CG 4.29Å; L79-R84 PolarHBondContact O-NE 3.32Å; P80-R84 PolarHBondContact O-N 2.95Å; P80-R84 VanDerWaalsContact O-N 3.08Å; L81-R84 PolarHBondContact O-N 3.4Å; L81-R84 VanDerWaalsContact O-N 3.13Å; E82-R84 VanDerWaalsContact C-N 3.29Å; E82-R84 PolarHBondContact O-N 3.46Å; R84-D86 VanDerWaalsContact C-N 3.35Å; R84-R88 WeakPolarHBondContact O-CB 3.45Å; R84-R88 PolarHBondContact O-N 2.83Å; R84-I116 HydrophobicContact CB-CD1 3.96Å; R84-I116 HydrophobicContact CB-CG1 4.32Å; R84-I116 HydrophobicContact CG-CD1 4.37Å; R84-I116 WeakPolarHBondContact O-CD1 3.34Å; R84-D123 IonicContact CZ-OD2 2.66Å; R84-D123 IonicContact NH1-OD2 3.97Å; R84-D123 PolarHBondContact NH1-OD2 2.85Å; R84-D123 IonicContact NH2-OD1 2.78Å; R84-D123 IonicContact NH2-OD2 2.57Å; R84-D123 PolarHBondContact NH2-OD2 3.5Å; R84-F131 HydrophobicContact CB-CZ 4.23Å |
| 85 | I | 88.4 | Confident | 84.3 | Confident | 12 Ų | 12 | 58.2 Ų | 58.2 | 6% | 0.062 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 174.3 | -67.3 | 169.3 | 0 | 0 | 0 | 110.3 | L81 E82 R88 N89 V130 F131 | L81-I85 HydrophobicContact CD1-CD1 3.94Å; L81-I85 HydrophobicContact CD1-CG1 4.14Å; L81-I85 HydrophobicContact CG-CD1 3.88Å; L81-I85 HydrophobicContact CG-CG1 4.48Å; L81-I85 WeakPolarHBondContact O-CG1 3.47Å; L81-I85 PolarHBondContact O-N 2.81Å; E82-I85 PolarHBondContact O-N 3.16Å; E82-I85 VanDerWaalsContact O-N 3.16Å; I85-R88 PolarHBondContact O-N 3.29Å; I85-N89 WeakPolarHBondContact CG2-ND2 3.49Å; I85-N89 WeakPolarHBondContact O-CB 3.13Å; I85-N89 VanDerWaalsContact O-CG 3.25Å; I85-N89 PolarHBondContact O-N 3.21Å; I85-N89 PolarHBondContact O-ND2 2.94Å; I85-V130 HydrophobicContact CD1-CB 4.4Å; I85-V130 HydrophobicContact CD1-CG1 4.26Å; I85-V130 HydrophobicContact CD1-CG2 4.19Å; I85-V130 HydrophobicContact CG1-CG1 4.48Å; I85-F131 HydrophobicContact CG1-CE2 3.97Å; I85-F131 HydrophobicContact CG1-CZ 3.82Å |
| 86 | D | 88.7 | Confident | 85.2 | Confident | 97 Ų | 97 | 56 Ų | 56 | 52% | 0.519 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 177.8 | -70.6 | -20.3 | 0 | 0 | 0 | 112 | E82 Q83 R84 R88 N89 Y90 | E82-D86 VanDerWaalsContact O-CG 3.29Å; E82-D86 PolarHBondContact O-N 3.36Å; Q83-D86 PolarHBondContact O-N 3.49Å; R84-D86 VanDerWaalsContact C-N 3.35Å; D86-R88 VanDerWaalsContact C-N 3.35Å; D86-R88 PolarHBondContact O-N 3.46Å; D86-N89 PolarHBondContact O-N 2.96Å; D86-Y90 WeakPolarHBondContact O-CB 3.26Å; D86-Y90 PolarHBondContact O-N 3.35Å |
| 87 | I | 89.4 | Confident | 86.5 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 176.1 | -68.7 | 162.8 | 0 | 0 | 0 | 110.3 | L45 V72 L79 Q83 Y90 V91 L112 I116 | L45-I87 HydrophobicContact CD1-CD1 3.72Å; L45-I87 HydrophobicContact CD1-CG1 4.12Å; V72-I87 HydrophobicContact CG2-CD1 4.25Å; L79-I87 HydrophobicContact CD1-CD1 3.52Å; Q83-I87 WeakPolarHBondContact O-CD1 3.11Å; Q83-I87 WeakPolarHBondContact O-CG1 3.46Å; Q83-I87 PolarHBondContact O-N 3.39Å; I87-Y90 PolarHBondContact O-N 2.94Å; I87-V91 HydrophobicContact CG2-CG2 4.41Å; I87-V91 VanDerWaalsContact O-CG2 3.25Å; I87-V91 WeakPolarHBondContact O-CG2 3.42Å; I87-V91 PolarHBondContact O-N 2.97Å; I87-L112 HydrophobicContact CG2-CD2 4.41Å; I87-I116 HydrophobicContact CB-CD1 3.99Å; I87-I116 HydrophobicContact CG2-CD1 3.94Å |
| 88 | R | 90.9 | Very high | 87.3 | Confident | 13 Ų | 13 | 51.4 Ų | 51.4 | 5% | 0.049 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.6 | -51.5 | 178.8 | -179.4 | -157.4 | 66.7 | -172.7 | 11.1 | 111.5 | R84 I85 D86 Y90 V91 L92 Y113 I116 V130 F131 | R84-R88 WeakPolarHBondContact O-CB 3.45Å; R84-R88 PolarHBondContact O-N 2.83Å; I85-R88 PolarHBondContact O-N 3.29Å; D86-R88 VanDerWaalsContact C-N 3.35Å; D86-R88 PolarHBondContact O-N 3.46Å; R88-Y90 VanDerWaalsContact C-N 3.33Å; R88-Y90 PolarHBondContact O-N 3.49Å; R88-V91 PolarHBondContact O-N 2.93Å; R88-L92 PolarHBondContact O-N 3.31Å; R88-L92 VanDerWaalsContact O-N 3.07Å; R88-Y113 HydrophobicContact CG-CD2 3.73Å; R88-Y113 HydrophobicContact CG-CE2 3.46Å; R88-Y113 VanDerWaalsContact CG-CE2 3.46Å; R88-I116 HydrophobicContact CB-CD1 4.46Å; R88-I116 HydrophobicContact CB-CG2 4.05Å; R88-I116 HydrophobicContact CG-CG2 4.21Å; R88-V130 PolarHBondContact NH1-O 3.14Å; R88-F131 HydrophobicContact CB-CE1 4.18Å; R88-F131 HydrophobicContact CG-CE1 4.35Å |
| 89 | N | 90.2 | Very high | 87.2 | Confident | 56 Ų | 56 | 49.1 Ų | 49.1 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | -178.7 | -67.7 | -17.5 | 0 | 0 | 0 | 111.4 | I85 D86 L92 N93 | I85-N89 WeakPolarHBondContact CG2-ND2 3.49Å; I85-N89 WeakPolarHBondContact O-CB 3.13Å; I85-N89 VanDerWaalsContact O-CG 3.25Å; I85-N89 PolarHBondContact O-N 3.21Å; I85-N89 PolarHBondContact O-ND2 2.94Å; D86-N89 PolarHBondContact O-N 2.96Å; N89-L92 PolarHBondContact O-N 3.29Å; N89-N93 WeakPolarHBondContact O-CB 3.36Å; N89-N93 VanDerWaalsContact O-CG 3.31Å; N89-N93 PolarHBondContact O-N 3.39Å; N89-N93 PolarHBondContact O-ND2 3.13Å |
| 90 | Y | 89.9 | Confident | 87.1 | Confident | 63 Ų | 63 | 56.5 Ų | 56.5 | 25% | 0.247 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 174.8 | 179.9 | -92 | 0 | 0 | 0 | 111.2 | L52 D86 I87 R88 L92 N93 Y94 | L52-Y90 HydrophobicContact CB-CE1 4.19Å; L52-Y90 HydrophobicContact CD1-CE1 3.84Å; D86-Y90 WeakPolarHBondContact O-CB 3.26Å; D86-Y90 PolarHBondContact O-N 3.35Å; I87-Y90 PolarHBondContact O-N 2.94Å; R88-Y90 VanDerWaalsContact C-N 3.33Å; R88-Y90 PolarHBondContact O-N 3.49Å; Y90-L92 PolarHBondContact O-N 2.82Å; Y90-N93 PolarHBondContact O-N 2.94Å; Y90-Y94 HydrophobicContact CE1-CD2 4.18Å; Y90-Y94 WeakPolarHBondContact O-CB 3.22Å; Y90-Y94 PolarHBondContact O-N 3.04Å |
| 91 | V | 90.5 | Very high | 87 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 178.8 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | I87 R88 Y94 L95 L109 L112 | I87-V91 HydrophobicContact CG2-CG2 4.41Å; I87-V91 VanDerWaalsContact O-CG2 3.25Å; I87-V91 WeakPolarHBondContact O-CG2 3.42Å; I87-V91 PolarHBondContact O-N 2.97Å; R88-V91 PolarHBondContact O-N 2.93Å; V91-Y94 PolarHBondContact O-N 3.46Å; V91-L95 HydrophobicContact CG1-CD1 4.17Å; V91-L95 WeakPolarHBondContact O-CG 3.37Å; V91-L95 PolarHBondContact O-N 2.89Å; V91-L109 HydrophobicContact CG1-CB 4.17Å; V91-L109 HydrophobicContact CG1-CD2 4.4Å; V91-L109 WeakPolarHBondContact CG1-O 3.29Å; V91-L109 HydrophobicContact CG2-CD2 4.41Å; V91-L112 HydrophobicContact CG2-CD2 3.63Å; V91-L112 HydrophobicContact CG2-CG 4.2Å |
| 92 | L | 88.7 | Confident | 87 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.8 | -49.1 | 176 | -78.1 | 175.8 | 0 | 0 | 0 | 112 | R88 N89 Y90 Y94 L95 A96 Y113 D137 F141 I155 | R88-L92 PolarHBondContact O-N 3.31Å; R88-L92 VanDerWaalsContact O-N 3.07Å; N89-L92 PolarHBondContact O-N 3.29Å; Y90-L92 PolarHBondContact O-N 2.82Å; L92-Y94 VanDerWaalsContact C-N 3.28Å; L92-Y94 PolarHBondContact O-N 3.25Å; L92-L95 PolarHBondContact O-N 2.71Å; L92-A96 WeakPolarHBondContact O-CB 3.32Å; L92-A96 PolarHBondContact O-N 3.27Å; L92-Y113 HydrophobicContact CD1-CD2 4.25Å; L92-Y113 HydrophobicContact CD1-CE2 3.46Å; L92-Y113 VanDerWaalsContact CD1-CE2 3.46Å; L92-Y113 HydrophobicContact CD2-CD2 3.89Å; L92-Y113 HydrophobicContact CD2-CE2 3.61Å; L92-Y113 HydrophobicContact CD2-CG 4.47Å; L92-Y113 HydrophobicContact CG-CD2 3.73Å; L92-Y113 HydrophobicContact CG-CE2 3.42Å; L92-Y113 VanDerWaalsContact CG-CE2 3.42Å; L92-D137 HydrophobicContact CD1-CB 4.01Å; L92-F141 HydrophobicContact CD2-CE2 4.36Å; L92-I155 HydrophobicContact CD2-CD1 4.19Å |
| 93 | N | 89.3 | Confident | 87 | Confident | 104 Ų | 104 | 52.2 Ų | 52.2 | 56% | 0.556 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.1 | -34.9 | 178.1 | -73.4 | -27.9 | 0 | 0 | 0 | 112.2 | N89 Y90 A96 T97 | N89-N93 WeakPolarHBondContact O-CB 3.36Å; N89-N93 VanDerWaalsContact O-CG 3.31Å; N89-N93 PolarHBondContact O-N 3.39Å; N89-N93 PolarHBondContact O-ND2 3.13Å; Y90-N93 PolarHBondContact O-N 2.94Å; N93-A96 PolarHBondContact O-N 2.94Å; N93-T97 WeakPolarHBondContact O-CB 3.48Å; N93-T97 WeakPolarHBondContact O-CG2 3.33Å; N93-T97 PolarHBondContact O-N 3.07Å; N93-T97 PolarHBondContact O-OG1 3.45Å |
| 94 | Y | 88.3 | Confident | 87 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 177.5 | -169 | -89.2 | 0 | 0 | 0 | 111.4 | L52 Q61 Y90 V91 L92 T97 R98 L101 L109 | L52-Y94 HydrophobicContact CB-CE2 4.22Å; L52-Y94 WeakPolarHBondContact O-CE2 3.28Å; L52-Y94 PolarHBondContact O-OH 2.66Å; L52-Y94 VanDerWaalsContact O-OH 3.14Å; Q61-Y94 PolarHBondContact NE2-OH 2.99Å; Y90-Y94 HydrophobicContact CE1-CD2 4.18Å; Y90-Y94 WeakPolarHBondContact O-CB 3.22Å; Y90-Y94 PolarHBondContact O-N 3.04Å; V91-Y94 PolarHBondContact O-N 3.46Å; L92-Y94 VanDerWaalsContact C-N 3.28Å; L92-Y94 PolarHBondContact O-N 3.25Å; Y94-T97 PolarHBondContact O-OG1 2.93Å; Y94-R98 VanDerWaalsContact CE2-NH1 3.34Å; Y94-R98 WeakPolarHBondContact O-CB 3.46Å; Y94-R98 PolarHBondContact O-N 3.22Å; Y94-R98 PolarHBondContact OH-NH1 2.95Å; Y94-L101 HydrophobicContact CD1-CD1 3.93Å; Y94-L101 HydrophobicContact CE1-CD1 3.56Å; Y94-L101 HydrophobicContact CE1-CD2 4.09Å; Y94-L101 HydrophobicContact CE1-CG 4.47Å; Y94-L109 HydrophobicContact CD1-CD1 3.64Å; Y94-L109 HydrophobicContact CE1-CD1 3.78Å |
| 95 | L | 87.5 | Confident | 86.9 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66 | -38.7 | 172.8 | -69.9 | 171.6 | 0 | 0 | 0 | 112 | V91 L92 T106 L109 I110 F141 I151 I155 | V91-L95 HydrophobicContact CG1-CD1 4.17Å; V91-L95 WeakPolarHBondContact O-CG 3.37Å; V91-L95 PolarHBondContact O-N 2.89Å; L92-L95 PolarHBondContact O-N 2.71Å; L95-T106 HydrophobicContact CD2-CG2 4.07Å; L95-L109 HydrophobicContact CD1-CB 4.48Å; L95-L109 HydrophobicContact CD2-CB 4.08Å; L95-L109 HydrophobicContact CD2-CD1 4.06Å; L95-L109 HydrophobicContact CG-CB 4.43Å; L95-I110 HydrophobicContact CD1-CG1 3.89Å; L95-F141 HydrophobicContact CB-CE1 4.44Å; L95-F141 HydrophobicContact CB-CZ 4.46Å; L95-I151 HydrophobicContact CB-CG2 4.32Å; L95-I155 HydrophobicContact CD1-CD1 4.17Å |
| 96 | A | 85.3 | Confident | 87 | Confident | 34 Ų | 34 | 50.9 Ų | 50.9 | 28% | 0.281 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.7 | -34 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L92 N93 F141 Y148 | L92-A96 WeakPolarHBondContact O-CB 3.32Å; L92-A96 PolarHBondContact O-N 3.27Å; N93-A96 PolarHBondContact O-N 2.94Å; A96-F141 HydrophobicContact CB-CE1 3.79Å; A96-F141 HydrophobicContact CB-CZ 3.65Å; A96-Y148 VanDerWaalsContact O-CE1 3.22Å; A96-Y148 WeakPolarHBondContact O-CE1 3.36Å; A96-Y148 PolarHBondContact O-OH 3.43Å |
| 97 | T | 84.9 | Confident | 87.1 | Confident | 103 Ų | 103 | 52.4 Ų | 52.4 | 63% | 0.632 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -89.5 | -15.1 | -177.1 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | N93 Y94 | N93-T97 WeakPolarHBondContact O-CB 3.48Å; N93-T97 WeakPolarHBondContact O-CG2 3.33Å; N93-T97 PolarHBondContact O-N 3.07Å; N93-T97 PolarHBondContact O-OG1 3.45Å; Y94-T97 PolarHBondContact O-OG1 2.93Å |
| 98 | R | 83.6 | Confident | 87.1 | Confident | 93 Ų | 93 | 52.5 Ų | 52.5 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | trans | -133.8 | 70.6 | -175.3 | -59.9 | -176.5 | 178.1 | -173.4 | -1.2 | 111.7 | L52 Y94 K100 L101 | L52-R98 PolarHBondContact O-NH1 3.43Å; Y94-R98 VanDerWaalsContact CE2-NH1 3.34Å; Y94-R98 WeakPolarHBondContact O-CB 3.46Å; Y94-R98 PolarHBondContact O-N 3.22Å; Y94-R98 PolarHBondContact OH-NH1 2.95Å; R98-K100 PolarHBondContact O-N 3.19Å; R98-L101 HydrophobicContact CB-CD1 4Å; R98-L101 HydrophobicContact CB-CD2 4.35Å; R98-L101 HydrophobicContact CB-CG 3.92Å; R98-L101 WeakPolarHBondContact O-CD1 3.37Å; R98-L101 VanDerWaalsContact O-CG 3.3Å; R98-L101 WeakPolarHBondContact O-CG 3.47Å | ||
| 99 | P | 76.3 | Confident | 87.2 | Confident | 34 Ų | 34 | 51.9 Ų | 51.9 | 22% | 0.221 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -23.6 | -179.3 | 27.1 | -36.4 | 0 | 0 | 0 | 114 | L101 Y148 I151 | P99-L101 VanDerWaalsContact C-N 3.34Å; P99-L101 PolarHBondContact O-N 3.32Å; P99-Y148 HydrophobicContact CB-CD1 4.31Å; P99-Y148 HydrophobicContact CB-CE1 3.75Å; P99-Y148 HydrophobicContact CG-CE1 3.9Å; P99-Y148 WeakPolarHBondContact CG-OH 3.42Å; P99-I151 HydrophobicContact CB-CD1 4.2Å |
| 100 | K | 80.8 | Confident | 87.3 | Confident | 181 Ų | 181 | 49.3 Ų | 49.3 | 79% | 0.787 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 29 | -176.6 | -60.8 | -173.4 | 178.2 | -175.4 | 0 | 114.4 | R98 | R98-K100 PolarHBondContact O-N 3.19Š|
| 101 | L | 84.8 | Confident | 87.5 | Confident | 27 Ų | 27 | 50.4 Ų | 50.4 | 14% | 0.141 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -68.2 | 155.9 | 173.5 | -73 | 164.7 | 0 | 0 | 0 | 110.9 | Y94 R98 P99 T103 T106 L109 | Y94-L101 HydrophobicContact CD1-CD1 3.93Å; Y94-L101 HydrophobicContact CE1-CD1 3.56Å; Y94-L101 HydrophobicContact CE1-CD2 4.09Å; Y94-L101 HydrophobicContact CE1-CG 4.47Å; R98-L101 HydrophobicContact CB-CD1 4Å; R98-L101 HydrophobicContact CB-CD2 4.35Å; R98-L101 HydrophobicContact CB-CG 3.92Å; R98-L101 WeakPolarHBondContact O-CD1 3.37Å; R98-L101 VanDerWaalsContact O-CG 3.3Å; R98-L101 WeakPolarHBondContact O-CG 3.47Å; P99-L101 VanDerWaalsContact C-N 3.34Å; P99-L101 PolarHBondContact O-N 3.32Å; L101-T103 PolarHBondContact O-N 3.02Å; L101-T106 WeakPolarHBondContact CB-OG1 3.38Å; L101-L109 HydrophobicContact CD1-CD1 4.13Å |
| 102 | A | 86.3 | Confident | 87.6 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 26% | 0.256 | 26% | 0.263 | S | S | . | . | trans | -59.1 | 137.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | F104 V105 T106 | A102-F104 VanDerWaalsContact C-N 3.3Å; A102-F104 HydrophobicContact CB-CD1 4.12Å; A102-F104 HydrophobicContact CB-CE1 3.72Å; A102-F104 HydrophobicContact CB-CZ 3.97Å; A102-F104 PolarHBondContact O-N 3.46Å; A102-V105 HydrophobicContact CB-CG2 4.1Å; A102-V105 WeakPolarHBondContact O-CA 3.38Å; A102-V105 WeakPolarHBondContact O-CB 3.37Å; A102-V105 PolarHBondContact O-N 3.04Å; A102-T106 PolarHBondContact O-N 3.37Å; A102-T106 PolarHBondContact O-OG1 3.03Å | ||
| 103 | T | 85.9 | Confident | 87.8 | Confident | 109 Ų | 109 | 49.9 Ų | 49.9 | 67% | 0.669 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -53.1 | -42.7 | -172.5 | 45.1 | 0 | 0 | 0 | 0 | 113.5 | L101 V105 T106 Q107 | L101-T103 PolarHBondContact O-N 3.02Å; T103-V105 VanDerWaalsContact C-N 3.33Å; T103-V105 PolarHBondContact O-N 3.16Å; T103-T106 PolarHBondContact O-N 2.95Å; T103-Q107 WeakPolarHBondContact O-CG 3.46Å; T103-Q107 PolarHBondContact O-N 2.87Å |
| 104 | F | 87.2 | Confident | 88 | Confident | 73 Ų | 73 | 44.9 Ų | 44.9 | 32% | 0.32 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.7 | -29.4 | 177.6 | 63.1 | -97.8 | 0 | 0 | 0 | 113.5 | S58 L62 A102 A108 | S58-F104 VanDerWaalsContact CB-CZ 3.47Å; L62-F104 HydrophobicContact CB-CD2 4.23Å; L62-F104 HydrophobicContact CB-CE2 4.19Å; L62-F104 HydrophobicContact CD1-CD2 4.34Å; L62-F104 HydrophobicContact CD2-CD2 3.91Å; L62-F104 HydrophobicContact CD2-CE2 4.19Å; L62-F104 HydrophobicContact CG-CD2 4.39Å; A102-F104 VanDerWaalsContact C-N 3.3Å; A102-F104 HydrophobicContact CB-CD1 4.12Å; A102-F104 HydrophobicContact CB-CE1 3.72Å; A102-F104 HydrophobicContact CB-CZ 3.97Å; A102-F104 PolarHBondContact O-N 3.46Å; F104-A108 WeakPolarHBondContact O-CB 3.34Å; F104-A108 PolarHBondContact O-N 3.32Å; F104-A108 VanDerWaalsContact O-N 3.1Å |
| 105 | V | 89.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.7 | -44.9 | 174.6 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | S58 Q61 A102 T103 Q107 A108 L109 | S58-V105 VanDerWaalsContact O-CG2 3.27Å; S58-V105 WeakPolarHBondContact O-CG2 3.44Å; Q61-V105 HydrophobicContact CB-CG1 3.59Å; Q61-V105 HydrophobicContact CB-CG2 4.13Å; A102-V105 HydrophobicContact CB-CG2 4.1Å; A102-V105 WeakPolarHBondContact O-CA 3.38Å; A102-V105 WeakPolarHBondContact O-CB 3.37Å; A102-V105 PolarHBondContact O-N 3.04Å; T103-V105 VanDerWaalsContact C-N 3.33Å; T103-V105 PolarHBondContact O-N 3.16Å; V105-Q107 VanDerWaalsContact C-N 3.32Å; V105-Q107 PolarHBondContact O-N 3.42Å; V105-A108 PolarHBondContact O-N 3.28Å; V105-L109 HydrophobicContact CG1-CD1 4.04Å; V105-L109 HydrophobicContact CG1-CG 4.48Å; V105-L109 WeakPolarHBondContact O-CG 3.47Å; V105-L109 PolarHBondContact O-N 2.99Å |
| 106 | T | 89.5 | Confident | 88.3 | Confident | 21 Ų | 21 | 46.2 Ų | 46.2 | 13% | 0.129 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.5 | -47.2 | 174.5 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | L95 L101 A102 T103 A108 L109 I110 | L95-T106 HydrophobicContact CD2-CG2 4.07Å; L101-T106 WeakPolarHBondContact CB-OG1 3.38Å; A102-T106 PolarHBondContact O-N 3.37Å; A102-T106 PolarHBondContact O-OG1 3.03Å; T103-T106 PolarHBondContact O-N 2.95Å; T106-A108 PolarHBondContact O-N 2.9Å; T106-L109 PolarHBondContact O-N 3.37Å; T106-I110 HydrophobicContact CG2-CD1 3.85Å; T106-I110 HydrophobicContact CG2-CG1 4.49Å; T106-I110 WeakPolarHBondContact O-CB 3.32Å; T106-I110 VanDerWaalsContact O-CG1 3.25Å; T106-I110 WeakPolarHBondContact O-CG1 3.35Å; T106-I110 PolarHBondContact O-N 3.21Å |
| 107 | Q | 90 | Very high | 88.6 | Confident | 129 Ų | 129 | 44.6 Ų | 44.6 | 60% | 0.603 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -59.5 | -44.9 | 176.1 | -74.8 | 176.6 | -7.9 | 0 | 0 | 112.7 | T103 V105 L109 I110 Q111 | T103-Q107 WeakPolarHBondContact O-CG 3.46Å; T103-Q107 PolarHBondContact O-N 2.87Å; V105-Q107 VanDerWaalsContact C-N 3.32Å; V105-Q107 PolarHBondContact O-N 3.42Å; Q107-L109 PolarHBondContact O-N 2.89Å; Q107-I110 PolarHBondContact O-N 3.43Å; Q107-Q111 WeakPolarHBondContact O-CB 3.47Å; Q107-Q111 PolarHBondContact O-N 3.33Å |
| 108 | A | 90.2 | Very high | 88.9 | Confident | 8 Ų | 8 | 39.8 Ų | 39.8 | 7% | 0.066 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65 | -38.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L62 A65 F104 V105 T106 Q111 L112 | L62-A108 HydrophobicContact CD1-CB 3.5Å; L62-A108 VanDerWaalsContact CD1-CB 3.5Å; A65-A108 HydrophobicContact CB-CB 3.8Å; F104-A108 WeakPolarHBondContact O-CB 3.34Å; F104-A108 PolarHBondContact O-N 3.32Å; F104-A108 VanDerWaalsContact O-N 3.1Å; V105-A108 PolarHBondContact O-N 3.28Å; T106-A108 PolarHBondContact O-N 2.9Å; A108-Q111 PolarHBondContact O-N 2.62Å; A108-L112 PolarHBondContact O-N 2.94Å |
| 109 | L | 92.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.3 | -40.5 | 175.1 | -72.6 | 170.9 | 0 | 0 | 0 | 111.9 | L52 A65 V91 Y94 L95 L101 V105 T106 Q107 Q111 L112 Y113 | L52-L109 HydrophobicContact CD2-CD2 4.34Å; A65-L109 HydrophobicContact CB-CD2 3.9Å; A65-L109 HydrophobicContact CB-CG 4.23Å; V91-L109 HydrophobicContact CG1-CB 4.17Å; V91-L109 HydrophobicContact CG1-CD2 4.4Å; V91-L109 WeakPolarHBondContact CG1-O 3.29Å; V91-L109 HydrophobicContact CG2-CD2 4.41Å; Y94-L109 HydrophobicContact CD1-CD1 3.64Å; Y94-L109 HydrophobicContact CE1-CD1 3.78Å; L95-L109 HydrophobicContact CD1-CB 4.48Å; L95-L109 HydrophobicContact CD2-CB 4.08Å; L95-L109 HydrophobicContact CD2-CD1 4.06Å; L95-L109 HydrophobicContact CG-CB 4.43Å; L101-L109 HydrophobicContact CD1-CD1 4.13Å; V105-L109 HydrophobicContact CG1-CD1 4.04Å; V105-L109 HydrophobicContact CG1-CG 4.48Å; V105-L109 WeakPolarHBondContact O-CG 3.47Å; V105-L109 PolarHBondContact O-N 2.99Å; T106-L109 PolarHBondContact O-N 3.37Å; Q107-L109 PolarHBondContact O-N 2.89Å; L109-Q111 VanDerWaalsContact C-N 3.33Å; L109-L112 WeakPolarHBondContact O-CB 3.28Å; L109-L112 PolarHBondContact O-N 3.28Å; L109-Y113 PolarHBondContact O-N 3.37Å |
| 110 | I | 93.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 174.7 | -69.4 | 174.2 | 0 | 0 | 0 | 110.7 | L95 T106 Q107 Y113 A114 T154 I155 Q158 | L95-I110 HydrophobicContact CD1-CG1 3.89Å; T106-I110 HydrophobicContact CG2-CD1 3.85Å; T106-I110 HydrophobicContact CG2-CG1 4.49Å; T106-I110 WeakPolarHBondContact O-CB 3.32Å; T106-I110 VanDerWaalsContact O-CG1 3.25Å; T106-I110 WeakPolarHBondContact O-CG1 3.35Å; T106-I110 PolarHBondContact O-N 3.21Å; Q107-I110 PolarHBondContact O-N 3.43Å; I110-Y113 WeakPolarHBondContact O-CB 3.32Å; I110-Y113 PolarHBondContact O-N 3.49Å; I110-A114 WeakPolarHBondContact O-CB 3.48Å; I110-A114 PolarHBondContact O-N 2.85Å; I110-T154 HydrophobicContact CD1-CG2 3.63Å; I110-I155 HydrophobicContact CD1-CG1 4.09Å; I110-I155 HydrophobicContact CG1-CG1 3.82Å; I110-I155 HydrophobicContact CG2-CG1 4.21Å; I110-Q158 HydrophobicContact CG2-CB 3.57Å; I110-Q158 HydrophobicContact CG2-CG 3.97Å |
| 111 | Q | 92.8 | Very high | 90 | Very high | 85 Ų | 85 | 26.2 Ų | 26.2 | 40% | 0.397 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 174.7 | -171.6 | 177.8 | 17.8 | 0 | 0 | 111.8 | Q107 A108 L109 Y113 A114 R115 | Q107-Q111 WeakPolarHBondContact O-CB 3.47Å; Q107-Q111 PolarHBondContact O-N 3.33Å; A108-Q111 PolarHBondContact O-N 2.62Å; L109-Q111 VanDerWaalsContact C-N 3.33Å; Q111-Y113 VanDerWaalsContact C-N 3.33Å; Q111-Y113 PolarHBondContact O-N 2.91Å; Q111-A114 PolarHBondContact O-N 2.99Å; Q111-R115 VanDerWaalsContact O-CB 3.25Å; Q111-R115 WeakPolarHBondContact O-CB 3.19Å; Q111-R115 PolarHBondContact O-N 2.96Å |
| 112 | L | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.4 | -46.9 | 172.6 | 171.6 | 58.1 | 0 | 0 | 0 | 111.3 | L68 T69 V72 I87 V91 A108 L109 R115 I116 | L68-L112 HydrophobicContact CB-CD1 3.94Å; L68-L112 HydrophobicContact CB-CD2 3.65Å; L68-L112 HydrophobicContact CB-CG 4.47Å; L68-L112 HydrophobicContact CD1-CD2 3.91Å; L68-L112 HydrophobicContact CG-CD2 4.45Å; T69-L112 WeakPolarHBondContact OG1-CA 3.42Å; T69-L112 WeakPolarHBondContact OG1-CB 3.19Å; V72-L112 HydrophobicContact CG2-CD1 4.4Å; I87-L112 HydrophobicContact CG2-CD2 4.41Å; V91-L112 HydrophobicContact CG2-CD2 3.63Å; V91-L112 HydrophobicContact CG2-CG 4.2Å; A108-L112 PolarHBondContact O-N 2.94Å; L109-L112 WeakPolarHBondContact O-CB 3.28Å; L109-L112 PolarHBondContact O-N 3.28Å; L112-R115 PolarHBondContact O-N 3.38Å; L112-I116 WeakPolarHBondContact O-CG2 3.18Å; L112-I116 PolarHBondContact O-N 2.92Å |
| 113 | Y | 93.7 | Very high | 90 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 177.2 | 177.1 | -93.9 | 0 | 0 | 0 | 112.4 | R88 L92 L109 I110 Q111 R115 I116 T117 I155 | R88-Y113 HydrophobicContact CG-CD2 3.73Å; R88-Y113 HydrophobicContact CG-CE2 3.46Å; R88-Y113 VanDerWaalsContact CG-CE2 3.46Å; L92-Y113 HydrophobicContact CD1-CD2 4.25Å; L92-Y113 HydrophobicContact CD1-CE2 3.46Å; L92-Y113 VanDerWaalsContact CD1-CE2 3.46Å; L92-Y113 HydrophobicContact CD2-CD2 3.89Å; L92-Y113 HydrophobicContact CD2-CE2 3.61Å; L92-Y113 HydrophobicContact CD2-CG 4.47Å; L92-Y113 HydrophobicContact CG-CD2 3.73Å; L92-Y113 HydrophobicContact CG-CE2 3.42Å; L92-Y113 VanDerWaalsContact CG-CE2 3.42Å; L109-Y113 PolarHBondContact O-N 3.37Å; I110-Y113 WeakPolarHBondContact O-CB 3.32Å; I110-Y113 PolarHBondContact O-N 3.49Å; Q111-Y113 VanDerWaalsContact C-N 3.33Å; Q111-Y113 PolarHBondContact O-N 2.91Å; Y113-R115 PolarHBondContact O-N 3.49Å; Y113-I116 VanDerWaalsContact O-CG2 3.26Å; Y113-I116 WeakPolarHBondContact O-CG2 3.43Å; Y113-T117 VanDerWaalsContact O-CB 3.27Å; Y113-T117 WeakPolarHBondContact O-CB 3.29Å; Y113-T117 PolarHBondContact O-N 3.39Å; Y113-T117 PolarHBondContact O-OG1 3.02Å; Y113-I155 HydrophobicContact CD1-CG2 3.64Å; Y113-I155 HydrophobicContact CE1-CG2 3.5Å; Y113-I155 VanDerWaalsContact CE1-CG2 3.5Å |
| 114 | A | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.4 | -44.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I110 Q111 T117 K118 Q158 L159 E162 | I110-A114 WeakPolarHBondContact O-CB 3.48Å; I110-A114 PolarHBondContact O-N 2.85Å; Q111-A114 PolarHBondContact O-N 2.99Å; A114-T117 PolarHBondContact O-N 2.91Å; A114-K118 WeakPolarHBondContact O-CB 3.23Å; A114-K118 PolarHBondContact O-N 3.29Å; A114-Q158 HydrophobicContact CB-CB 4.49Å; A114-Q158 HydrophobicContact CB-CG 3.87Å; A114-L159 HydrophobicContact CB-CB 4.48Å; A114-L159 HydrophobicContact CB-CD1 4.4Å; A114-E162 HydrophobicContact CB-CB 3.8Å; A114-E162 HydrophobicContact CB-CG 3.91Å |
| 115 | R | 91.1 | Very high | 89.4 | Confident | 36 Ų | 36 | 26.2 Ų | 26.2 | 14% | 0.136 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.7 | -47.3 | 179.7 | -178.5 | 61 | 64.2 | 139.8 | -9.4 | 112.2 | T69 S73 Q111 L112 Y113 T117 K118 L119 E162 D167 | T69-R115 HydrophobicContact CG2-CB 4.25Å; T69-R115 HydrophobicContact CG2-CG 4.03Å; S73-R115 WeakPolarHBondContact OG-CG 3.39Å; Q111-R115 VanDerWaalsContact O-CB 3.25Å; Q111-R115 WeakPolarHBondContact O-CB 3.19Å; Q111-R115 PolarHBondContact O-N 2.96Å; L112-R115 PolarHBondContact O-N 3.38Å; Y113-R115 PolarHBondContact O-N 3.49Å; R115-T117 VanDerWaalsContact C-N 3.3Å; R115-T117 PolarHBondContact O-N 3.04Å; R115-K118 PolarHBondContact O-N 3.45Å; R115-L119 HydrophobicContact CG-CD1 4.04Å; R115-L119 VanDerWaalsContact O-CG 3.31Å; R115-L119 WeakPolarHBondContact O-CG 3.3Å; R115-L119 PolarHBondContact O-N 3.05Å; R115-E162 IonicContact CZ-OE1 3.58Å; R115-E162 IonicContact NE-OE1 3.99Å; R115-E162 PolarHBondContact NE-OE1 2.83Å; R115-E162 IonicContact NH2-OE1 2.96Å; R115-E162 PolarHBondContact NH2-OE1 3.45Å; R115-D167 IonicContact CZ-OD1 2.64Å; R115-D167 IonicContact CZ-OD2 3.9Å; R115-D167 IonicContact NH1-OD1 2.62Å; R115-D167 PolarHBondContact NH1-OD1 2.87Å; R115-D167 IonicContact NH1-OD2 2.76Å; R115-D167 PolarHBondContact NH1-OD2 3.13Å; R115-D167 IonicContact NH2-OD1 3.37Å; R115-D167 PolarHBondContact NH2-OD1 3.36Å |
| 116 | I | 91.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.3 | -36.9 | 178.8 | -163.7 | 161.2 | 0 | 0 | 0 | 111.5 | V72 R84 I87 R88 L112 Y113 L119 G120 F131 | V72-I116 HydrophobicContact CG1-CB 3.9Å; V72-I116 HydrophobicContact CG1-CD1 3.96Å; V72-I116 HydrophobicContact CG1-CG1 3.64Å; V72-I116 HydrophobicContact CG2-CD1 3.93Å; R84-I116 HydrophobicContact CB-CD1 3.96Å; R84-I116 HydrophobicContact CB-CG1 4.32Å; R84-I116 HydrophobicContact CG-CD1 4.37Å; R84-I116 WeakPolarHBondContact O-CD1 3.34Å; I87-I116 HydrophobicContact CB-CD1 3.99Å; I87-I116 HydrophobicContact CG2-CD1 3.94Å; R88-I116 HydrophobicContact CB-CD1 4.46Å; R88-I116 HydrophobicContact CB-CG2 4.05Å; R88-I116 HydrophobicContact CG-CG2 4.21Å; L112-I116 WeakPolarHBondContact O-CG2 3.18Å; L112-I116 PolarHBondContact O-N 2.92Å; Y113-I116 VanDerWaalsContact O-CG2 3.26Å; Y113-I116 WeakPolarHBondContact O-CG2 3.43Å; I116-L119 PolarHBondContact O-N 2.95Å; I116-G120 PolarHBondContact O-N 2.86Å; I116-F131 HydrophobicContact CG1-CE1 4.14Å |
| 117 | T | 91.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.5 | -44.6 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | Y113 A114 R115 G120 W121 F131 L159 | Y113-T117 VanDerWaalsContact O-CB 3.27Å; Y113-T117 WeakPolarHBondContact O-CB 3.29Å; Y113-T117 PolarHBondContact O-N 3.39Å; Y113-T117 PolarHBondContact O-OG1 3.02Å; A114-T117 PolarHBondContact O-N 2.91Å; R115-T117 VanDerWaalsContact C-N 3.3Å; R115-T117 PolarHBondContact O-N 3.04Å; T117-G120 CarbonylContact O-C 3.56Å; T117-G120 PolarHBondContact O-N 3.43Å; T117-W121 HydrophobicContact CG2-CE3 4.31Å; T117-W121 HydrophobicContact CG2-CZ3 4.38Å; T117-W121 WeakPolarHBondContact O-CA 3.45Å; T117-W121 PolarHBondContact O-N 2.89Å; T117-F131 HydrophobicContact CG2-CB 4.36Å; T117-F131 WeakPolarHBondContact CG2-O 3.26Å; T117-L159 HydrophobicContact CG2-CD1 3.71Å; T117-L159 HydrophobicContact CG2-CD2 4.39Å |
| 118 | K | 90.8 | Very high | 87.4 | Confident | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59 | -48.2 | 173.8 | -179.7 | -173.2 | -173.4 | 180 | 0 | 111.6 | A114 R115 G120 W121 E162 I163 Q165 D167 I178 | A114-K118 WeakPolarHBondContact O-CB 3.23Å; A114-K118 PolarHBondContact O-N 3.29Å; R115-K118 PolarHBondContact O-N 3.45Å; K118-G120 VanDerWaalsContact C-N 3.33Å; K118-G120 PolarHBondContact O-N 3.31Å; K118-W121 WeakPolarHBondContact O-CB 3.5Å; K118-W121 PolarHBondContact O-N 3.39Å; K118-E162 HydrophobicContact CD-CG 4.21Å; K118-E162 VanDerWaalsContact CD-O 3.3Å; K118-E162 WeakPolarHBondContact CD-O 3.27Å; K118-E162 WeakPolarHBondContact CE-O 3.31Å; K118-E162 PolarHBondContact NZ-O 3.42Å; K118-I163 HydrophobicContact CB-CG1 4.23Å; K118-I163 HydrophobicContact CG-CG1 4.3Å; K118-Q165 PolarHBondContact NZ-O 3.41Å; K118-D167 WeakPolarHBondContact CE-OD2 3.31Å; K118-D167 IonicContact NZ-OD1 3.13Å; K118-D167 IonicContact NZ-OD2 3.61Å; K118-D167 PolarHBondContact NZ-OD2 3.43Å; K118-I178 HydrophobicContact CG-CG2 4.27Å; K118-I178 WeakPolarHBondContact O-CD1 3.28Å |
| 119 | L | 87.8 | Confident | 87.1 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.9 | -32.5 | -177.3 | -68.3 | 172.3 | 0 | 0 | 0 | 112.6 | V72 R115 I116 | V72-L119 HydrophobicContact CG1-CD1 4.03Å; V72-L119 WeakPolarHBondContact O-CD1 3.15Å; R115-L119 HydrophobicContact CG-CD1 4.04Å; R115-L119 VanDerWaalsContact O-CG 3.31Å; R115-L119 WeakPolarHBondContact O-CG 3.3Å; R115-L119 PolarHBondContact O-N 3.05Å; I116-L119 PolarHBondContact O-N 2.95Å |
| 120 | G | 86.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 8.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | I116 T117 K118 F122 D123 F131 | I116-G120 PolarHBondContact O-N 2.86Å; T117-G120 CarbonylContact O-C 3.56Å; T117-G120 PolarHBondContact O-N 3.43Å; K118-G120 VanDerWaalsContact C-N 3.33Å; K118-G120 PolarHBondContact O-N 3.31Å; G120-F122 PolarHBondContact O-N 3.5Å; G120-D123 VanDerWaalsContact CA-OD2 3.26Å; G120-D123 WeakPolarHBondContact CA-OD2 3.35Å; G120-D123 WeakPolarHBondContact O-CB 3.3Å; G120-D123 PolarHBondContact O-N 3.03Å; G120-F131 WeakPolarHBondContact O-CB 3.13Å; G120-F131 WeakPolarHBondContact O-CD2 3.39Å |
| 121 | W | 89.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -27.4 | -170.5 | -171.4 | -102.6 | 0 | 0 | 0 | 115.5 | T117 K118 R132 I163 I178 S181 F182 | T117-W121 HydrophobicContact CG2-CE3 4.31Å; T117-W121 HydrophobicContact CG2-CZ3 4.38Å; T117-W121 WeakPolarHBondContact O-CA 3.45Å; T117-W121 PolarHBondContact O-N 2.89Å; K118-W121 WeakPolarHBondContact O-CB 3.5Å; K118-W121 PolarHBondContact O-N 3.39Å; W121-R132 HydrophobicContact CD2-CG 4.17Å; W121-R132 HydrophobicContact CE3-CG 4.2Å; W121-R132 HydrophobicContact CH2-CB 4.21Å; W121-R132 HydrophobicContact CH2-CG 3.82Å; W121-R132 HydrophobicContact CZ2-CG 3.83Å; W121-R132 HydrophobicContact CZ3-CB 4.48Å; W121-R132 HydrophobicContact CZ3-CG 4.04Å; W121-R132 PolarHBondContact O-NE 3.39Å; W121-I163 HydrophobicContact CE3-CD1 4.35Å; W121-I163 HydrophobicContact CZ3-CD1 4.37Å; W121-I178 HydrophobicContact CB-CG1 4.2Å; W121-I178 HydrophobicContact CB-CG2 3.89Å; W121-I178 HydrophobicContact CD2-CG2 4.45Å; W121-I178 HydrophobicContact CG-CG2 3.79Å; W121-S181 PolarHBondContact NE1-OG 3.46Å; W121-F182 HydrophobicContact CH2-CB 4.4Å; W121-F182 AromaticContact CH2-CD2 3.49Å; W121-F182 HydrophobicContact CH2-CD2 3.49Å; W121-F182 VanDerWaalsContact CH2-CD2 3.49Å; W121-F182 HydrophobicContact CH2-CE2 4.28Å; W121-F182 HydrophobicContact CH2-CG 4.42Å; W121-F182 HydrophobicContact CZ2-CB 3.91Å; W121-F182 AromaticContact CZ2-CD2 3.87Å; W121-F182 HydrophobicContact CZ2-CD2 3.87Å; W121-F182 HydrophobicContact CZ2-CG 4.41Å; W121-F182 AromaticContact CZ3-CD2 3.99Å; W121-F182 HydrophobicContact CZ3-CD2 3.99Å |
| 122 | F | 84.9 | Confident | 86 | Confident | 64 Ų | 64 | 44.5 Ų | 44.5 | 28% | 0.281 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | 7 | 177.9 | -70.4 | -72.9 | 0 | 0 | 0 | 113.7 | G120 Y129 K177 I178 | G120-F122 PolarHBondContact O-N 3.5Å; F122-Y129 HydrophobicContact CD1-CE1 4.32Å; F122-K177 HydrophobicContact CE2-CB 4.32Å; F122-K177 HydrophobicContact CE2-CD 4.08Å; F122-K177 HydrophobicContact CE2-CG 3.85Å; F122-K177 HydrophobicContact CZ-CD 4.12Å; F122-K177 HydrophobicContact CZ-CG 3.73Å; F122-I178 HydrophobicContact CD2-CG1 3.96Å; F122-I178 HydrophobicContact CE2-CB 4.37Å; F122-I178 HydrophobicContact CE2-CG1 3.67Å |
| 123 | D | 84.8 | Confident | 85.5 | Confident | 40 Ų | 40 | 48.1 Ų | 48.1 | 21% | 0.214 | 23% | 0.234 | C | C | . | . | trans | -76 | 130 | 176.9 | -68.1 | -27.7 | 0 | 0 | 0 | 110.4 | L81 R84 G120 F131 | L81-D123 HydrophobicContact CD1-CB 3.57Å; L81-D123 HydrophobicContact CD2-CB 4.5Å; R84-D123 IonicContact CZ-OD2 2.66Å; R84-D123 IonicContact NH1-OD2 3.97Å; R84-D123 PolarHBondContact NH1-OD2 2.85Å; R84-D123 IonicContact NH2-OD1 2.78Å; R84-D123 IonicContact NH2-OD2 2.57Å; R84-D123 PolarHBondContact NH2-OD2 3.5Å; G120-D123 VanDerWaalsContact CA-OD2 3.26Å; G120-D123 WeakPolarHBondContact CA-OD2 3.35Å; G120-D123 WeakPolarHBondContact O-CB 3.3Å; G120-D123 PolarHBondContact O-N 3.03Å; D123-F131 HydrophobicContact CB-CD2 4.08Å; D123-F131 HydrophobicContact CB-CE2 4.05Å | ||
| 124 | C | 82 | Confident | 84.9 | Confident | 57 Ų | 57 | 48.2 Ų | 48.2 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | trans | -111.4 | 141.4 | -179.6 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | L81 D128 Y129 | L81-C124 WeakPolarHBondContact CD2-O 3.22Å; C124-D128 WeakPolarHBondContact CA-O 3.49Å; C124-Y129 WeakPolarHBondContact SG-CD1 3.47Å; C124-Y129 WeakPolarHBondContact SG-CE1 3.29Å | ||
| 125 | Q | 78.8 | Confident | 84.4 | Confident | 79 Ų | 79 | 49.9 Ų | 49.9 | 37% | 0.369 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | -130.3 | 119 | 167.5 | -168.7 | -179.4 | 19.1 | 0 | 0 | 108.2 | D127 D128 V130 | Q125-D127 VanDerWaalsContact C-N 3.32Å; Q125-D127 PolarHBondContact O-N 3.3Å; Q125-D128 PolarHBondContact N-O 3.18Å; Q125-D128 PolarHBondContact O-N 2.78Å; Q125-V130 HydrophobicContact CB-CG2 3.44Å; Q125-V130 VanDerWaalsContact CB-CG2 3.44Å |
| 126 | K | 76.6 | Confident | 84 | Confident | 189 Ų | 189 | 52.4 Ų | 52.4 | 82% | 0.822 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 47.9 | -176.1 | -56.2 | 178.5 | -179.8 | 178.6 | 0 | 112.7 | D128 | K126-D128 PolarHBondContact O-N 3.05Å; K126-D128 VanDerWaalsContact O-N 3.14Å |
| 127 | D | 72.1 | Confident | 83.5 | Confident | 154 Ų | 154 | 54 Ų | 54 | 82% | 0.824 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 0.3 | -179.8 | -54.7 | -43.8 | 0 | 0 | 0 | 117 | Q125 | Q125-D127 VanDerWaalsContact C-N 3.32Å; Q125-D127 PolarHBondContact O-N 3.3Å |
| 128 | D | 78.8 | Confident | 83.1 | Confident | 117 Ų | 117 | 54 Ų | 54 | 63% | 0.626 | 27% | 0.271 | S | S | * | . | B | Isolated β-bridge | trans | -99.5 | 136.3 | 173.4 | -80.6 | -28.7 | 0 | 0 | 0 | 112.7 | C124 Q125 K126 V130 | C124-D128 WeakPolarHBondContact CA-O 3.49Å; Q125-D128 PolarHBondContact N-O 3.18Å; Q125-D128 PolarHBondContact O-N 2.78Å; K126-D128 PolarHBondContact O-N 3.05Å; K126-D128 VanDerWaalsContact O-N 3.14Å; D128-V130 PolarHBondContact O-N 3.39Å |
| 129 | Y | 84 | Confident | 82.6 | Confident | 97 Ų | 97 | 56.3 Ų | 56.3 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | trans | -77.4 | 85.6 | 172.9 | -68.3 | -78.4 | 0 | 0 | 0 | 110.8 | F122 C124 F131 R132 | F122-Y129 HydrophobicContact CD1-CE1 4.32Å; C124-Y129 WeakPolarHBondContact SG-CD1 3.47Å; C124-Y129 WeakPolarHBondContact SG-CE1 3.29Å; Y129-F131 PolarHBondContact O-N 3.26Å; Y129-R132 PolarHBondContact O-N 3.3Å | ||
| 130 | V | 83.7 | Confident | 82.3 | Confident | 19 Ų | 19 | 63.6 Ų | 63.6 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -56.8 | -31.5 | -169.3 | -159 | 0 | 0 | 0 | 0 | 113.3 | I85 R88 Q125 D128 | I85-V130 HydrophobicContact CD1-CB 4.4Å; I85-V130 HydrophobicContact CD1-CG1 4.26Å; I85-V130 HydrophobicContact CD1-CG2 4.19Å; I85-V130 HydrophobicContact CG1-CG1 4.48Å; R88-V130 PolarHBondContact NH1-O 3.14Å; Q125-V130 HydrophobicContact CB-CG2 3.44Å; Q125-V130 VanDerWaalsContact CB-CG2 3.44Å; D128-V130 PolarHBondContact O-N 3.39Å |
| 131 | F | 85.9 | Confident | 82 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -85.1 | -6.6 | -178 | -66.9 | -87.6 | 0 | 0 | 0 | 114.5 | L81 R84 I85 R88 I116 T117 G120 D123 Y129 N133 | L81-F131 HydrophobicContact CD1-CE2 3.81Å; L81-F131 HydrophobicContact CD1-CZ 4.48Å; R84-F131 HydrophobicContact CB-CZ 4.23Å; I85-F131 HydrophobicContact CG1-CE2 3.97Å; I85-F131 HydrophobicContact CG1-CZ 3.82Å; R88-F131 HydrophobicContact CB-CE1 4.18Å; R88-F131 HydrophobicContact CG-CE1 4.35Å; I116-F131 HydrophobicContact CG1-CE1 4.14Å; T117-F131 HydrophobicContact CG2-CB 4.36Å; T117-F131 WeakPolarHBondContact CG2-O 3.26Å; G120-F131 WeakPolarHBondContact O-CB 3.13Å; G120-F131 WeakPolarHBondContact O-CD2 3.39Å; D123-F131 HydrophobicContact CB-CD2 4.08Å; D123-F131 HydrophobicContact CB-CE2 4.05Å; Y129-F131 PolarHBondContact O-N 3.26Å; F131-N133 VanDerWaalsContact C-N 3.35Å |
| 132 | R | 85.9 | Confident | 81.3 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 20% | 0.2 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -85.5 | -7.5 | 178.9 | -63.7 | -172.6 | -170.8 | 176.1 | 4.1 | 113.8 | W121 Y129 A134 | W121-R132 HydrophobicContact CD2-CG 4.17Å; W121-R132 HydrophobicContact CE3-CG 4.2Å; W121-R132 HydrophobicContact CH2-CB 4.21Å; W121-R132 HydrophobicContact CH2-CG 3.82Å; W121-R132 HydrophobicContact CZ2-CG 3.83Å; W121-R132 HydrophobicContact CZ3-CB 4.48Å; W121-R132 HydrophobicContact CZ3-CG 4.04Å; W121-R132 PolarHBondContact O-NE 3.39Å; Y129-R132 PolarHBondContact O-N 3.3Å; R132-A134 PolarHBondContact O-N 3.48Å; R132-A134 VanDerWaalsContact O-N 3.08Å |
| 133 | N | 82.9 | Confident | 80.6 | Confident | 76 Ų | 76 | 69.7 Ų | 69.7 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 14.5 | -177.9 | -63.1 | -18.2 | 0 | 0 | 0 | 114.4 | F131 I135 T136 D137 | F131-N133 VanDerWaalsContact C-N 3.35Å; N133-I135 VanDerWaalsContact C-N 3.28Å; N133-I135 PolarHBondContact O-N 2.98Å; N133-I135 VanDerWaalsContact O-N 3.16Å; N133-T136 WeakPolarHBondContact O-CB 3.31Å; N133-T136 PolarHBondContact O-N 2.84Å; N133-D137 PolarHBondContact O-N 3.44Å |
| 134 | A | 81.4 | Confident | 79.8 | Confident | 4 Ų | 4 | 73.5 Ų | 73.5 | 3% | 0.033 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.6 | -36.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R132 V138 L159 | R132-A134 PolarHBondContact O-N 3.48Å; R132-A134 VanDerWaalsContact O-N 3.08Å; A134-V138 WeakPolarHBondContact O-CB 3.46Å; A134-V138 VanDerWaalsContact O-CG2 3.22Å; A134-V138 WeakPolarHBondContact O-CG2 3.48Å; A134-V138 PolarHBondContact O-N 3.36Å; A134-L159 HydrophobicContact CB-CD2 3.69Å |
| 135 | I | 81.3 | Confident | 79.5 | Confident | 34 Ų | 34 | 73.3 Ų | 73.3 | 17% | 0.174 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.8 | -46.5 | 176.3 | -60 | 177.2 | 0 | 0 | 0 | 110.4 | N133 D137 V138 T139 D189 I190 | N133-I135 VanDerWaalsContact C-N 3.28Å; N133-I135 PolarHBondContact O-N 2.98Å; N133-I135 VanDerWaalsContact O-N 3.16Å; I135-D137 VanDerWaalsContact C-N 3.32Å; I135-D137 PolarHBondContact O-N 3.4Å; I135-V138 PolarHBondContact O-N 3.37Å; I135-T139 WeakPolarHBondContact O-CB 3.48Å; I135-T139 PolarHBondContact O-N 2.88Å; I135-T139 PolarHBondContact O-OG1 3.24Å; I135-D189 HydrophobicContact CD1-CB 3.63Å; I135-I190 HydrophobicContact CD1-CD1 4.48Å; I135-I190 HydrophobicContact CD1-CG1 3.75Å; I135-I190 HydrophobicContact CG1-CD1 4.4Å; I135-I190 HydrophobicContact CG1-CG1 3.86Å |
| 136 | T | 83.3 | Confident | 79.5 | Confident | 89 Ų | 89 | 72 Ų | 72 | 55% | 0.546 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 178.3 | -47.5 | 0 | 0 | 0 | 0 | 111.3 | N133 T139 | N133-T136 WeakPolarHBondContact O-CB 3.31Å; N133-T136 PolarHBondContact O-N 2.84Å; T136-T139 PolarHBondContact O-N 3.47Å |
| 137 | D | 81.6 | Confident | 79.6 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 178.9 | -67.6 | -26 | 0 | 0 | 0 | 111.5 | L92 N133 I135 | L92-D137 HydrophobicContact CD1-CB 4.01Å; N133-D137 PolarHBondContact O-N 3.44Å; I135-D137 VanDerWaalsContact C-N 3.32Å; I135-D137 PolarHBondContact O-N 3.4Å |
| 138 | V | 83.1 | Confident | 80.1 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -74.5 | -29 | 179 | 172.3 | 0 | 0 | 0 | 0 | 112.6 | A134 I135 R140 F141 L142 G152 I155 L156 | A134-V138 WeakPolarHBondContact O-CB 3.46Å; A134-V138 VanDerWaalsContact O-CG2 3.22Å; A134-V138 WeakPolarHBondContact O-CG2 3.48Å; A134-V138 PolarHBondContact O-N 3.36Å; I135-V138 PolarHBondContact O-N 3.37Å; V138-R140 PolarHBondContact O-N 2.97Å; V138-F141 WeakPolarHBondContact O-CB 3.29Å; V138-F141 PolarHBondContact O-N 3.46Å; V138-L142 HydrophobicContact CG1-CD1 4.45Å; V138-L142 HydrophobicContact CG1-CG 4.34Å; V138-L142 PolarHBondContact O-N 3.17Å; V138-G152 WeakPolarHBondContact CG1-O 3.39Å; V138-I155 HydrophobicContact CG2-CB 4.15Å; V138-I155 HydrophobicContact CG2-CG2 3.65Å; V138-L156 HydrophobicContact CB-CD2 4.35Å; V138-L156 HydrophobicContact CB-CG 4.37Å; V138-L156 HydrophobicContact CG1-CD1 3.97Å; V138-L156 HydrophobicContact CG1-CG 4Å; V138-L156 HydrophobicContact CG2-CD2 4.11Å; V138-L156 HydrophobicContact CG2-CG 4.27Å |
| 139 | T | 80.4 | Confident | 80.4 | Confident | 52 Ų | 52 | 57.9 Ų | 57.9 | 32% | 0.319 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.3 | -30.3 | -177.3 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | I135 T136 F141 L142 | I135-T139 WeakPolarHBondContact O-CB 3.48Å; I135-T139 PolarHBondContact O-N 2.88Å; I135-T139 PolarHBondContact O-OG1 3.24Å; T136-T139 PolarHBondContact O-N 3.47Å; T139-F141 PolarHBondContact O-N 3.06Å; T139-L142 WeakPolarHBondContact O-CB 3.49Å; T139-L142 PolarHBondContact O-N 3.07Å; T139-L142 VanDerWaalsContact O-N 3.17Å |
| 140 | R | 80.8 | Confident | 80.5 | Confident | 172 Ų | 172 | 55.3 Ų | 55.3 | 65% | 0.649 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -63.8 | -38.4 | 175.5 | -62.2 | -179.2 | -174.4 | 162.3 | 4.5 | 112.7 | V138 L142 Q143 | V138-R140 PolarHBondContact O-N 2.97Å; R140-L142 PolarHBondContact O-N 3.32Å; R140-Q143 PolarHBondContact O-N 2.94Å |
| 141 | F | 79.3 | Confident | 80.6 | Confident | 14 Ų | 14 | 55 Ų | 55 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -67.2 | -23.5 | 175.7 | -70.2 | -95.9 | 0 | 0 | 0 | 112.8 | L92 L95 A96 V138 T139 Y148 C149 I151 | L92-F141 HydrophobicContact CD2-CE2 4.36Å; L95-F141 HydrophobicContact CB-CE1 4.44Å; L95-F141 HydrophobicContact CB-CZ 4.46Å; A96-F141 HydrophobicContact CB-CE1 3.79Å; A96-F141 HydrophobicContact CB-CZ 3.65Å; V138-F141 WeakPolarHBondContact O-CB 3.29Å; V138-F141 PolarHBondContact O-N 3.46Å; T139-F141 PolarHBondContact O-N 3.06Å; F141-Y148 HydrophobicContact CD1-CD1 4.17Å; F141-Y148 CarbonylContact O-C 3.23Å; F141-Y148 VanDerWaalsContact O-C 3.23Å; F141-Y148 WeakPolarHBondContact O-CB 3.2Å; F141-C149 PolarHBondContact O-N 3.18Å; F141-I151 HydrophobicContact CD1-CG2 4.21Å; F141-I151 HydrophobicContact CE1-CG2 4.11Å |
| 142 | L | 76 | Confident | 80.8 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -83 | -13.3 | -176.4 | -56.8 | 175.9 | 0 | 0 | 0 | 113.6 | V138 T139 R140 V153 L193 L197 | V138-L142 HydrophobicContact CG1-CD1 4.45Å; V138-L142 HydrophobicContact CG1-CG 4.34Å; V138-L142 PolarHBondContact O-N 3.17Å; T139-L142 WeakPolarHBondContact O-CB 3.49Å; T139-L142 PolarHBondContact O-N 3.07Å; T139-L142 VanDerWaalsContact O-N 3.17Å; R140-L142 PolarHBondContact O-N 3.32Å; L142-V153 HydrophobicContact CD2-CG2 4.19Å; L142-L193 HydrophobicContact CD1-CD1 4.08Å; L142-L193 HydrophobicContact CD1-CD2 3.76Å; L142-L193 HydrophobicContact CD1-CG 4.3Å; L142-L197 HydrophobicContact CD1-CD1 4.31Å; L142-L197 HydrophobicContact CD2-CD1 4.11Å |
| 143 | Q | 70.1 | Confident | 80.9 | Confident | 150 Ų | 150 | 52.4 Ų | 52.4 | 70% | 0.701 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -92.2 | -13.9 | -175.6 | -68.4 | 178.9 | -7.2 | 0 | 0 | 114 | R140 | R140-Q143 PolarHBondContact O-N 2.94Š|
| 144 | D | 67.6 | Low | 81.3 | Confident | 120 Ų | 120 | 50.1 Ų | 50.1 | 64% | 0.642 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -97.3 | -131 | -173.1 | -69.2 | -39.1 | 0 | 0 | 0 | 112.6 | Y148 | D144-Y148 HydrophobicContact CB-CD2 3.79Å; D144-Y148 HydrophobicContact CB-CG 4.33Å |
| 145 | S | 76.9 | Confident | 81.8 | Confident | 53 Ų | 53 | 49.9 Ų | 49.9 | 37% | 0.371 | 25% | 0.254 | S | S | . | . | trans | -82.1 | 164.7 | -178.8 | 74.9 | 0 | 0 | 0 | 0 | 112.8 | E147 Y148 C149 | S145-E147 PolarHBondContact O-N 3.31Å; S145-Y148 PolarHBondContact O-N 2.81Å; S145-Y148 VanDerWaalsContact O-N 3.13Å; S145-Y148 WeakPolarHBondContact OG-CD2 3.37Å; S145-C149 PolarHBondContact O-N 2.77Å | ||
| 146 | V | 77.8 | Confident | 82.4 | Confident | 52 Ų | 52 | 48.4 Ų | 48.4 | 32% | 0.315 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -54.8 | -36.5 | 175.2 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | C149 I150 L216 | V146-C149 PolarHBondContact O-N 2.75Å; V146-I150 HydrophobicContact CG1-CD1 4.15Å; V146-I150 VanDerWaalsContact O-CG1 3.32Å; V146-I150 WeakPolarHBondContact O-CG1 3.48Å; V146-I150 PolarHBondContact O-N 2.89Å; V146-L216 HydrophobicContact CG1-CB 4.13Å; V146-L216 HydrophobicContact CG1-CD2 4.2Å |
| 147 | E | 78.9 | Confident | 82.8 | Confident | 95 Ų | 95 | 44.3 Ų | 44.3 | 44% | 0.444 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.9 | -44 | 177.7 | -64.2 | -179.4 | 172.5 | 0 | 0 | 112.3 | S145 I150 I151 | S145-E147 PolarHBondContact O-N 3.31Å; E147-I150 PolarHBondContact O-N 3.19Å; E147-I151 WeakPolarHBondContact O-CG1 3.19Å; E147-I151 PolarHBondContact O-N 3.36Å |
| 148 | Y | 82.9 | Confident | 83.4 | Confident | 56 Ų | 56 | 44.9 Ų | 44.9 | 22% | 0.22 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.9 | -38.1 | 176.1 | -69.2 | -66.2 | 0 | 0 | 0 | 111.6 | A96 P99 F141 D144 S145 I150 I151 G152 | A96-Y148 VanDerWaalsContact O-CE1 3.22Å; A96-Y148 WeakPolarHBondContact O-CE1 3.36Å; A96-Y148 PolarHBondContact O-OH 3.43Å; P99-Y148 HydrophobicContact CB-CD1 4.31Å; P99-Y148 HydrophobicContact CB-CE1 3.75Å; P99-Y148 HydrophobicContact CG-CE1 3.9Å; P99-Y148 WeakPolarHBondContact CG-OH 3.42Å; F141-Y148 HydrophobicContact CD1-CD1 4.17Å; F141-Y148 CarbonylContact O-C 3.23Å; F141-Y148 VanDerWaalsContact O-C 3.23Å; F141-Y148 WeakPolarHBondContact O-CB 3.2Å; D144-Y148 HydrophobicContact CB-CD2 3.79Å; D144-Y148 HydrophobicContact CB-CG 4.33Å; S145-Y148 PolarHBondContact O-N 2.81Å; S145-Y148 VanDerWaalsContact O-N 3.13Å; S145-Y148 WeakPolarHBondContact OG-CD2 3.37Å; Y148-I150 VanDerWaalsContact C-N 3.33Å; Y148-I150 PolarHBondContact O-N 2.92Å; Y148-I151 PolarHBondContact O-N 3.35Å; Y148-G152 PolarHBondContact O-N 3.47Å |
| 149 | C | 84.6 | Confident | 83.9 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 8% | 0.081 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | 176.2 | -168.5 | 0 | 0 | 0 | 0 | 111.4 | F141 S145 V146 I151 G152 V153 L216 | F141-C149 PolarHBondContact O-N 3.18Å; S145-C149 PolarHBondContact O-N 2.77Å; V146-C149 PolarHBondContact O-N 2.75Å; C149-I151 PolarHBondContact O-N 3.39Å; C149-G152 PolarHBondContact O-N 2.85Å; C149-V153 VanDerWaalsContact O-CG2 3.28Å; C149-V153 WeakPolarHBondContact O-CG2 3.43Å; C149-V153 PolarHBondContact O-N 3.33Å; C149-L216 HydrophobicContact CB-CD1 4.12Å |
| 150 | I | 85.6 | Confident | 84.5 | Confident | 44 Ų | 44 | 42.4 Ų | 42.4 | 23% | 0.226 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.4 | -49.8 | 173.8 | -72.6 | 166.7 | 0 | 0 | 0 | 110.9 | V146 E147 Y148 G152 V153 T154 L216 Q219 | V146-I150 HydrophobicContact CG1-CD1 4.15Å; V146-I150 VanDerWaalsContact O-CG1 3.32Å; V146-I150 WeakPolarHBondContact O-CG1 3.48Å; V146-I150 PolarHBondContact O-N 2.89Å; E147-I150 PolarHBondContact O-N 3.19Å; Y148-I150 VanDerWaalsContact C-N 3.33Å; Y148-I150 PolarHBondContact O-N 2.92Å; I150-G152 VanDerWaalsContact C-N 3.34Å; I150-G152 PolarHBondContact O-N 3.16Å; I150-V153 PolarHBondContact O-N 3.29Å; I150-T154 WeakPolarHBondContact O-CB 3.49Å; I150-T154 PolarHBondContact O-N 3.4Å; I150-T154 PolarHBondContact O-OG1 3.29Å; I150-L216 HydrophobicContact CD1-CB 4.33Å; I150-L216 HydrophobicContact CG1-CB 3.89Å; I150-L216 HydrophobicContact CG1-CD1 4.01Å; I150-Q219 HydrophobicContact CG2-CG 4.23Å |
| 151 | I | 86.8 | Confident | 85.1 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.2 | -46.6 | 179.2 | -66 | 169.1 | 0 | 0 | 0 | 110.6 | L95 P99 F141 E147 Y148 C149 V153 T154 I155 | L95-I151 HydrophobicContact CB-CG2 4.32Å; P99-I151 HydrophobicContact CB-CD1 4.2Å; F141-I151 HydrophobicContact CD1-CG2 4.21Å; F141-I151 HydrophobicContact CE1-CG2 4.11Å; E147-I151 WeakPolarHBondContact O-CG1 3.19Å; E147-I151 PolarHBondContact O-N 3.36Å; Y148-I151 PolarHBondContact O-N 3.35Å; C149-I151 PolarHBondContact O-N 3.39Å; I151-V153 PolarHBondContact O-N 3.24Å; I151-T154 PolarHBondContact O-N 2.91Å; I151-I155 HydrophobicContact CG2-CD1 3.97Å; I151-I155 VanDerWaalsContact O-CG1 3.31Å; I151-I155 WeakPolarHBondContact O-CG1 3.38Å; I151-I155 PolarHBondContact O-N 2.97Å |
| 152 | G | 88.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | V138 Y148 C149 I150 I155 L156 | V138-G152 WeakPolarHBondContact CG1-O 3.39Å; Y148-G152 PolarHBondContact O-N 3.47Å; C149-G152 PolarHBondContact O-N 2.85Å; I150-G152 VanDerWaalsContact C-N 3.34Å; I150-G152 PolarHBondContact O-N 3.16Å; G152-I155 WeakPolarHBondContact O-CB 3.3Å; G152-I155 PolarHBondContact O-N 2.79Å; G152-L156 PolarHBondContact O-N 3.17Å; G152-L156 VanDerWaalsContact O-N 3.16Å |
| 153 | V | 89.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.8 | -41 | 177.4 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | L142 C149 I150 I151 I155 L156 S157 L197 L216 Q219 L220 L223 | L142-V153 HydrophobicContact CD2-CG2 4.19Å; C149-V153 VanDerWaalsContact O-CG2 3.28Å; C149-V153 WeakPolarHBondContact O-CG2 3.43Å; C149-V153 PolarHBondContact O-N 3.33Å; I150-V153 PolarHBondContact O-N 3.29Å; I151-V153 PolarHBondContact O-N 3.24Å; V153-I155 VanDerWaalsContact C-N 3.33Å; V153-I155 PolarHBondContact O-N 3.43Å; V153-L156 PolarHBondContact O-N 2.94Å; V153-S157 WeakPolarHBondContact O-CB 3.26Å; V153-S157 PolarHBondContact O-N 3.18Å; V153-L197 HydrophobicContact CG2-CD1 4.36Å; V153-L216 HydrophobicContact CG2-CD1 4.32Å; V153-Q219 HydrophobicContact CB-CB 4.33Å; V153-Q219 VanDerWaalsContact CG1-C 3.42Å; V153-Q219 HydrophobicContact CG1-CB 3.72Å; V153-Q219 WeakPolarHBondContact CG1-O 3.4Å; V153-L220 HydrophobicContact CB-CD2 4.42Å; V153-L220 HydrophobicContact CG1-CD2 3.89Å; V153-L220 HydrophobicContact CG1-CG 4.19Å; V153-L220 HydrophobicContact CG2-CD2 3.55Å; V153-L220 HydrophobicContact CG2-CG 4.2Å; V153-L223 HydrophobicContact CG1-CB 4.01Å; V153-L223 HydrophobicContact CG1-CD2 3.95Å |
| 154 | T | 90.2 | Very high | 87.2 | Confident | 28 Ų | 28 | 29 Ų | 29 | 17% | 0.172 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.3 | -35.8 | 176.3 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | I110 I150 I151 S157 Q158 Q219 | I110-T154 HydrophobicContact CD1-CG2 3.63Å; I150-T154 WeakPolarHBondContact O-CB 3.49Å; I150-T154 PolarHBondContact O-N 3.4Å; I150-T154 PolarHBondContact O-OG1 3.29Å; I151-T154 PolarHBondContact O-N 2.91Å; T154-S157 PolarHBondContact O-N 3.33Å; T154-Q158 WeakPolarHBondContact O-CB 3.4Å; T154-Q158 PolarHBondContact O-N 3.14Å; T154-Q219 PolarHBondContact OG1-OE1 3.49Å |
| 155 | I | 92.1 | Very high | 88 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.8 | -51.5 | 172.8 | -71.6 | 164.5 | 0 | 0 | 0 | 110.7 | L92 L95 I110 Y113 V138 I151 G152 V153 S157 Q158 L159 | L92-I155 HydrophobicContact CD2-CD1 4.19Å; L95-I155 HydrophobicContact CD1-CD1 4.17Å; I110-I155 HydrophobicContact CD1-CG1 4.09Å; I110-I155 HydrophobicContact CG1-CG1 3.82Å; I110-I155 HydrophobicContact CG2-CG1 4.21Å; Y113-I155 HydrophobicContact CD1-CG2 3.64Å; Y113-I155 HydrophobicContact CE1-CG2 3.5Å; Y113-I155 VanDerWaalsContact CE1-CG2 3.5Å; V138-I155 HydrophobicContact CG2-CB 4.15Å; V138-I155 HydrophobicContact CG2-CG2 3.65Å; I151-I155 HydrophobicContact CG2-CD1 3.97Å; I151-I155 VanDerWaalsContact O-CG1 3.31Å; I151-I155 WeakPolarHBondContact O-CG1 3.38Å; I151-I155 PolarHBondContact O-N 2.97Å; G152-I155 WeakPolarHBondContact O-CB 3.3Å; G152-I155 PolarHBondContact O-N 2.79Å; V153-I155 VanDerWaalsContact C-N 3.33Å; V153-I155 PolarHBondContact O-N 3.43Å; I155-S157 VanDerWaalsContact C-N 3.33Å; I155-S157 PolarHBondContact O-N 3.14Å; I155-Q158 PolarHBondContact O-N 3.03Å; I155-L159 VanDerWaalsContact O-CB 3.28Å; I155-L159 WeakPolarHBondContact O-CB 3.49Å; I155-L159 PolarHBondContact O-N 3.36Å |
| 156 | L | 93.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.1 | -39.8 | 179 | -65.3 | 175.6 | 0 | 0 | 0 | 111.5 | V138 G152 V153 L159 T160 I190 L193 L223 | V138-L156 HydrophobicContact CB-CD2 4.35Å; V138-L156 HydrophobicContact CB-CG 4.37Å; V138-L156 HydrophobicContact CG1-CD1 3.97Å; V138-L156 HydrophobicContact CG1-CG 4Å; V138-L156 HydrophobicContact CG2-CD2 4.11Å; V138-L156 HydrophobicContact CG2-CG 4.27Å; G152-L156 PolarHBondContact O-N 3.17Å; G152-L156 VanDerWaalsContact O-N 3.16Å; V153-L156 PolarHBondContact O-N 2.94Å; L156-L159 PolarHBondContact O-N 3.04Å; L156-T160 PolarHBondContact O-N 3.47Å; L156-T160 PolarHBondContact O-OG1 3.38Å; L156-T160 VanDerWaalsContact O-OG1 3.08Å; L156-I190 HydrophobicContact CB-CG2 4.27Å; L156-I190 HydrophobicContact CD1-CG2 4.47Å; L156-I190 HydrophobicContact CD2-CD1 4.25Å; L156-I190 HydrophobicContact CD2-CG1 4.31Å; L156-L193 HydrophobicContact CD1-CD2 4Å; L156-L223 HydrophobicContact CB-CD1 3.78Å; L156-L223 HydrophobicContact CB-CD2 4.08Å; L156-L223 HydrophobicContact CD1-CD2 4.35Å |
| 157 | S | 93.3 | Very high | 87.5 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 3% | 0.028 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | -178.7 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | V153 T154 I155 N161 N226 | V153-S157 WeakPolarHBondContact O-CB 3.26Å; V153-S157 PolarHBondContact O-N 3.18Å; T154-S157 PolarHBondContact O-N 3.33Å; I155-S157 VanDerWaalsContact C-N 3.33Å; I155-S157 PolarHBondContact O-N 3.14Å; S157-N161 PolarHBondContact O-N 3.08Å; S157-N226 PolarHBondContact O-ND2 2.82Å; S157-N226 PolarHBondContact OG-ND2 3.26Å |
| 158 | Q | 93.3 | Very high | 86.6 | Confident | 45 Ų | 45 | 29.4 Ų | 29.4 | 21% | 0.21 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.8 | -40.6 | 176.1 | -174.4 | 61.5 | 29 | 0 | 0 | 111.3 | I110 A114 T154 I155 T160 N161 E162 | I110-Q158 HydrophobicContact CG2-CB 3.57Å; I110-Q158 HydrophobicContact CG2-CG 3.97Å; A114-Q158 HydrophobicContact CB-CB 4.49Å; A114-Q158 HydrophobicContact CB-CG 3.87Å; T154-Q158 WeakPolarHBondContact O-CB 3.4Å; T154-Q158 PolarHBondContact O-N 3.14Å; I155-Q158 PolarHBondContact O-N 3.03Å; Q158-T160 PolarHBondContact O-N 3.26Å; Q158-N161 PolarHBondContact O-N 3.26Å; Q158-E162 PolarHBondContact NE2-OE2 3.44Å; Q158-E162 VanDerWaalsContact NE2-OE2 3.08Å; Q158-E162 WeakPolarHBondContact O-CB 3.43Å; Q158-E162 PolarHBondContact O-N 3.47Å |
| 159 | L | 93.7 | Very high | 85.5 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.3 | -48.1 | 177.4 | 179.6 | 64 | 0 | 0 | 0 | 111.7 | A114 T117 A134 I155 L156 N161 E162 I163 F182 | A114-L159 HydrophobicContact CB-CB 4.48Å; A114-L159 HydrophobicContact CB-CD1 4.4Å; T117-L159 HydrophobicContact CG2-CD1 3.71Å; T117-L159 HydrophobicContact CG2-CD2 4.39Å; A134-L159 HydrophobicContact CB-CD2 3.69Å; I155-L159 VanDerWaalsContact O-CB 3.28Å; I155-L159 WeakPolarHBondContact O-CB 3.49Å; I155-L159 PolarHBondContact O-N 3.36Å; L156-L159 PolarHBondContact O-N 3.04Å; L159-N161 VanDerWaalsContact C-N 3.32Å; L159-N161 PolarHBondContact O-N 3.41Å; L159-E162 PolarHBondContact O-N 2.94Å; L159-I163 HydrophobicContact CD1-CD1 3.76Å; L159-I163 HydrophobicContact CD1-CG1 4.17Å; L159-I163 HydrophobicContact CG-CD1 4Å; L159-I163 WeakPolarHBondContact O-CG1 3.48Å; L159-I163 PolarHBondContact O-N 2.95Å; L159-F182 HydrophobicContact CD2-CE2 4.4Å |
| 160 | T | 93.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.2 | -45.6 | 177.3 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | L156 Q158 N164 F182 L187 N226 F230 | L156-T160 PolarHBondContact O-N 3.47Å; L156-T160 PolarHBondContact O-OG1 3.38Å; L156-T160 VanDerWaalsContact O-OG1 3.08Å; Q158-T160 PolarHBondContact O-N 3.26Å; T160-N164 WeakPolarHBondContact O-CB 3.46Å; T160-N164 PolarHBondContact O-N 3.45Å; T160-N164 VanDerWaalsContact O-N 3.11Å; T160-F182 HydrophobicContact CG2-CE1 4.31Å; T160-L187 HydrophobicContact CG2-CD1 3.71Å; T160-N226 HydrophobicContact CG2-CB 4.06Å; T160-F230 HydrophobicContact CG2-CD2 4.07Å |
| 161 | N | 91.9 | Very high | 83.7 | Confident | 46 Ų | 46 | 33.5 Ų | 33.5 | 25% | 0.246 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67 | -43.6 | 178.8 | -173.8 | 45.6 | 0 | 0 | 0 | 112.4 | S157 Q158 L159 I163 N164 Q165 | S157-N161 PolarHBondContact O-N 3.08Å; Q158-N161 PolarHBondContact O-N 3.26Å; L159-N161 VanDerWaalsContact C-N 3.32Å; L159-N161 PolarHBondContact O-N 3.41Å; N161-I163 VanDerWaalsContact C-N 3.33Å; N161-I163 PolarHBondContact O-N 3.04Å; N161-N164 PolarHBondContact O-N 3.37Å; N161-N164 VanDerWaalsContact O-N 3.16Å; N161-Q165 PolarHBondContact ND2-NE2 3.31Å; N161-Q165 VanDerWaalsContact ND2-NE2 3.12Å; N161-Q165 WeakPolarHBondContact O-CG 3.41Å; N161-Q165 PolarHBondContact O-N 3.05Å; N161-Q165 PolarHBondContact OD1-NE2 2.91Å; N161-Q165 VanDerWaalsContact OD1-NE2 3.14Å |
| 162 | E | 91 | Very high | 82.7 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 179.9 | -165.5 | 72 | -152.9 | 0 | 0 | 112 | A114 R115 K118 Q158 L159 | A114-E162 HydrophobicContact CB-CB 3.8Å; A114-E162 HydrophobicContact CB-CG 3.91Å; R115-E162 IonicContact CZ-OE1 3.58Å; R115-E162 IonicContact NE-OE1 3.99Å; R115-E162 PolarHBondContact NE-OE1 2.83Å; R115-E162 IonicContact NH2-OE1 2.96Å; R115-E162 PolarHBondContact NH2-OE1 3.45Å; K118-E162 HydrophobicContact CD-CG 4.21Å; K118-E162 VanDerWaalsContact CD-O 3.3Å; K118-E162 WeakPolarHBondContact CD-O 3.27Å; K118-E162 WeakPolarHBondContact CE-O 3.31Å; K118-E162 PolarHBondContact NZ-O 3.42Å; Q158-E162 PolarHBondContact NE2-OE2 3.44Å; Q158-E162 VanDerWaalsContact NE2-OE2 3.08Å; Q158-E162 WeakPolarHBondContact O-CB 3.43Å; Q158-E162 PolarHBondContact O-N 3.47Å; L159-E162 PolarHBondContact O-N 2.94Å |
| 163 | I | 90.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.5 | -36.1 | 176 | -70.4 | 175.4 | 0 | 0 | 0 | 111.2 | K118 W121 L159 N161 H175 I178 A179 F182 F230 | K118-I163 HydrophobicContact CB-CG1 4.23Å; K118-I163 HydrophobicContact CG-CG1 4.3Å; W121-I163 HydrophobicContact CE3-CD1 4.35Å; W121-I163 HydrophobicContact CZ3-CD1 4.37Å; L159-I163 HydrophobicContact CD1-CD1 3.76Å; L159-I163 HydrophobicContact CD1-CG1 4.17Å; L159-I163 HydrophobicContact CG-CD1 4Å; L159-I163 WeakPolarHBondContact O-CG1 3.48Å; L159-I163 PolarHBondContact O-N 2.95Å; N161-I163 VanDerWaalsContact C-N 3.33Å; N161-I163 PolarHBondContact O-N 3.04Å; I163-H175 PolarHBondContact O-CE1 2.92Å; I163-H175 PolarHBondContact O-ND1 3.43Å; I163-I178 HydrophobicContact CG2-CG2 4.24Å; I163-A179 HydrophobicContact CG2-CB 4.33Å; I163-F182 HydrophobicContact CB-CD1 4.14Å; I163-F182 HydrophobicContact CB-CE1 4.43Å; I163-F182 HydrophobicContact CB-CG 4.49Å; I163-F182 HydrophobicContact CD1-CB 4.09Å; I163-F182 HydrophobicContact CD1-CD1 3.9Å; I163-F182 HydrophobicContact CD1-CD2 3.45Å; I163-F182 VanDerWaalsContact CD1-CD2 3.45Å; I163-F182 HydrophobicContact CD1-CE1 4.1Å; I163-F182 HydrophobicContact CD1-CE2 3.7Å; I163-F182 HydrophobicContact CD1-CG 3.54Å; I163-F182 HydrophobicContact CD1-CZ 4.02Å; I163-F182 HydrophobicContact CG2-CB 3.83Å; I163-F182 HydrophobicContact CG2-CD1 3.66Å; I163-F182 HydrophobicContact CG2-CE1 4.41Å; I163-F182 HydrophobicContact CG2-CG 3.88Å; I163-F230 HydrophobicContact CG2-CE2 4.12Å; I163-F230 HydrophobicContact CG2-CZ 4.11Å |
| 164 | N | 87.9 | Confident | 80.5 | Confident | 37 Ų | 37 | 43 Ų | 43 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.3 | -31.5 | 179.5 | -161.7 | 34.9 | 0 | 0 | 0 | 113 | T160 N161 H175 N229 F230 D231 | T160-N164 WeakPolarHBondContact O-CB 3.46Å; T160-N164 PolarHBondContact O-N 3.45Å; T160-N164 VanDerWaalsContact O-N 3.11Å; N161-N164 PolarHBondContact O-N 3.37Å; N161-N164 VanDerWaalsContact O-N 3.16Å; N164-H175 PolarHBondContact O-CE1 3.23Å; N164-N229 PolarHBondContact ND2-O 3.14Å; N164-F230 HydrophobicContact CB-CD2 3.79Å; N164-F230 HydrophobicContact CB-CE2 3.77Å; N164-D231 WeakPolarHBondContact OD1-CB 3.42Å; N164-D231 PolarHBondContact OD1-N 3.16Å |
| 165 | Q | 84.9 | Confident | 80 | Confident | 98 Ų | 98 | 42.9 Ų | 42.9 | 46% | 0.458 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -79.8 | 129.4 | -179 | -69.9 | -179.3 | 4.4 | 0 | 0 | 112.4 | K118 N161 H175 | K118-Q165 PolarHBondContact NZ-O 3.41Å; N161-Q165 PolarHBondContact ND2-NE2 3.31Å; N161-Q165 VanDerWaalsContact ND2-NE2 3.12Å; N161-Q165 WeakPolarHBondContact O-CG 3.41Å; N161-Q165 PolarHBondContact O-N 3.05Å; N161-Q165 PolarHBondContact OD1-NE2 2.91Å; N161-Q165 VanDerWaalsContact OD1-NE2 3.14Å; Q165-H175 PolarHBondContact O-CE1 2.61Å; Q165-H175 PolarHBondContact O-ND1 3.5Å |
| 166 | A | 74.6 | Confident | 79.2 | Confident | 55 Ų | 55 | 46 Ų | 46 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 133.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L172 | A166-L172 HydrophobicContact CB-CD2 3.85Š|
| 167 | D | 69.3 | Low | 78.4 | Confident | 26 Ų | 26 | 51.6 Ų | 51.6 | 14% | 0.139 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -88.5 | 129.8 | 174.9 | -78.7 | -50.6 | 0 | 0 | 0 | 110.7 | R115 K118 T169 H170 | R115-D167 IonicContact CZ-OD1 2.64Å; R115-D167 IonicContact CZ-OD2 3.9Å; R115-D167 IonicContact NH1-OD1 2.62Å; R115-D167 PolarHBondContact NH1-OD1 2.87Å; R115-D167 IonicContact NH1-OD2 2.76Å; R115-D167 PolarHBondContact NH1-OD2 3.13Å; R115-D167 IonicContact NH2-OD1 3.37Å; R115-D167 PolarHBondContact NH2-OD1 3.36Å; K118-D167 WeakPolarHBondContact CE-OD2 3.31Å; K118-D167 IonicContact NZ-OD1 3.13Å; K118-D167 IonicContact NZ-OD2 3.61Å; K118-D167 PolarHBondContact NZ-OD2 3.43Å; D167-T169 PolarHBondContact O-N 2.93Å; D167-H170 HydrophobicContact CB-CB 4.48Å; D167-H170 PolarHBondContact O-N 3.49Å |
| 168 | T | 60.3 | Low | 77.9 | Confident | 149 Ų | 149 | 51.7 Ų | 51.7 | 91% | 0.914 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -18 | 175.7 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 169 | T | 60.9 | Low | 77.5 | Confident | 83 Ų | 83 | 50 Ų | 50 | 51% | 0.509 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -11.3 | -175 | 56.4 | 0 | 0 | 0 | 0 | 114.2 | D167 | D167-T169 PolarHBondContact O-N 2.93Š|
| 170 | H | 65.2 | Low | 77 | Confident | 34 Ų | 34 | 52.1 Ų | 52.1 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -125.1 | 152.5 | -176.4 | -71.1 | 79 | 0 | 0 | 0 | 110.9 | D167 L172 | D167-H170 HydrophobicContact CB-CB 4.48Å; D167-H170 PolarHBondContact O-N 3.49Å; H170-L172 PolarHBondContact O-N 2.87Å |
| 171 | P | 66.8 | Low | 76.6 | Confident | 81 Ų | 81 | 53.3 Ų | 53.3 | 53% | 0.526 | 29% | 0.294 | S | S | . | . | trans | -56.4 | 132.8 | 175.1 | -24.7 | 34.1 | 0 | 0 | 0 | 111.8 | T173 K174 H175 | P171-T173 PolarHBondContact O-N 3.47Å; P171-K174 PolarHBondContact O-N 3.01Å; P171-K174 VanDerWaalsContact O-N 3.07Å; P171-H175 PolarHBondContact O-N 3.49Å | ||
| 172 | L | 65.6 | Low | 76.5 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 42% | 0.419 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -53.7 | -28.7 | 177.1 | -81.7 | 161.2 | 0 | 0 | 0 | 112.6 | A166 H170 H175 R176 L928 | A166-L172 HydrophobicContact CB-CD2 3.85Å; H170-L172 PolarHBondContact O-N 2.87Å; L172-H175 WeakPolarHBondContact O-CB 3.44Å; L172-H175 PolarHBondContact O-N 2.9Å; L172-R176 WeakPolarHBondContact O-CG 3.47Å; L172-R176 PolarHBondContact O-N 3.35Å; L172-L928 HydrophobicContact CD1-CD2 4.34Å |
| 173 | T | 64.8 | Low | 76.3 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 179.4 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | P171 H175 R176 K177 E994 | P171-T173 PolarHBondContact O-N 3.47Å; T173-H175 VanDerWaalsContact C-N 3.32Å; T173-H175 PolarHBondContact O-N 3.33Å; T173-R176 PolarHBondContact O-N 3.29Å; T173-K177 WeakPolarHBondContact O-CB 3.4Å; T173-K177 PolarHBondContact O-N 2.92Å; T173-E994 HydrophobicContact CG2-CB 4.06Å; T173-E994 HydrophobicContact CG2-CG 3.38Å; T173-E994 WeakPolarHBondContact CG2-OE1 3.47Å |
| 174 | K | 68.2 | Low | 76 | Confident | 90 Ų | 90 | 58.6 Ų | 58.6 | 39% | 0.391 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 173.8 | -172.8 | 179.8 | 179.7 | -176.9 | 0 | 110.1 | P171 K177 I178 | P171-K174 PolarHBondContact O-N 3.01Å; P171-K174 VanDerWaalsContact O-N 3.07Å; K174-K177 PolarHBondContact O-N 3.16Å; K174-I178 HydrophobicContact CG-CD1 4.09Å; K174-I178 WeakPolarHBondContact O-CD1 3.34Å; K174-I178 VanDerWaalsContact O-CG1 3.26Å; K174-I178 WeakPolarHBondContact O-CG1 3.38Å; K174-I178 PolarHBondContact O-N 3.3Å |
| 175 | H | 78.6 | Confident | 75.9 | Confident | 24 Ų | 24 | 59.3 Ų | 59.3 | 11% | 0.111 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.3 | -50.5 | 175.2 | 166.5 | 65.5 | 0 | 0 | 0 | 112 | I163 N164 Q165 P171 L172 T173 K177 I178 A179 | I163-H175 PolarHBondContact O-CE1 2.92Å; I163-H175 PolarHBondContact O-ND1 3.43Å; N164-H175 PolarHBondContact O-CE1 3.23Å; Q165-H175 PolarHBondContact O-CE1 2.61Å; Q165-H175 PolarHBondContact O-ND1 3.5Å; P171-H175 PolarHBondContact O-N 3.49Å; L172-H175 WeakPolarHBondContact O-CB 3.44Å; L172-H175 PolarHBondContact O-N 2.9Å; T173-H175 VanDerWaalsContact C-N 3.32Å; T173-H175 PolarHBondContact O-N 3.33Å; H175-K177 VanDerWaalsContact C-N 3.3Å; H175-K177 PolarHBondContact O-N 3.11Å; H175-I178 PolarHBondContact O-N 3.5Å; H175-I178 VanDerWaalsContact O-N 3.14Å; H175-A179 WeakPolarHBondContact O-CB 3.46Å; H175-A179 PolarHBondContact O-N 3.42Å |
| 176 | R | 75.3 | Confident | 76.1 | Confident | 66 Ų | 66 | 55.1 Ų | 55.1 | 25% | 0.249 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 177.2 | -77.6 | -173.8 | 178.8 | 155.3 | 11.4 | 113 | L172 T173 A179 S180 G234 D995 | L172-R176 WeakPolarHBondContact O-CG 3.47Å; L172-R176 PolarHBondContact O-N 3.35Å; T173-R176 PolarHBondContact O-N 3.29Å; R176-A179 PolarHBondContact O-N 2.98Å; R176-S180 VanDerWaalsContact O-CB 3.28Å; R176-S180 WeakPolarHBondContact O-CB 3.42Å; R176-S180 PolarHBondContact O-N 3.34Å; R176-S180 PolarHBondContact O-OG 2.93Å; R176-G234 VanDerWaalsContact CZ-O 3.3Å; R176-G234 PolarHBondContact NE-O 3.01Å; R176-G234 PolarHBondContact NH2-O 3Å; R176-G234 VanDerWaalsContact NH2-O 3.11Å; R176-D995 IonicContact CZ-OD2 3.03Å; R176-D995 IonicContact NE-OD2 3.44Å; R176-D995 IonicContact NH1-OD2 3.77Å; R176-D995 PolarHBondContact NH1-OD2 3.31Å |
| 177 | K | 77.2 | Confident | 77 | Confident | 119 Ų | 119 | 52.5 Ų | 52.5 | 52% | 0.517 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 176.3 | -166.8 | -176.3 | 178.6 | 178 | 0 | 111.6 | F122 T173 K174 H175 S181 | F122-K177 HydrophobicContact CE2-CB 4.32Å; F122-K177 HydrophobicContact CE2-CD 4.08Å; F122-K177 HydrophobicContact CE2-CG 3.85Å; F122-K177 HydrophobicContact CZ-CD 4.12Å; F122-K177 HydrophobicContact CZ-CG 3.73Å; T173-K177 WeakPolarHBondContact O-CB 3.4Å; T173-K177 PolarHBondContact O-N 2.92Å; K174-K177 PolarHBondContact O-N 3.16Å; H175-K177 VanDerWaalsContact C-N 3.3Å; H175-K177 PolarHBondContact O-N 3.11Å; K177-S181 WeakPolarHBondContact O-CB 3.44Å; K177-S181 PolarHBondContact O-N 3.11Å; K177-S181 VanDerWaalsContact O-N 3.07Å |
| 178 | I | 82.1 | Confident | 78 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.4 | -51.4 | 176 | -66.1 | 162.6 | 0 | 0 | 0 | 110.1 | K118 W121 F122 I163 K174 H175 S180 S181 F182 | K118-I178 HydrophobicContact CG-CG2 4.27Å; K118-I178 WeakPolarHBondContact O-CD1 3.28Å; W121-I178 HydrophobicContact CB-CG1 4.2Å; W121-I178 HydrophobicContact CB-CG2 3.89Å; W121-I178 HydrophobicContact CD2-CG2 4.45Å; W121-I178 HydrophobicContact CG-CG2 3.79Å; F122-I178 HydrophobicContact CD2-CG1 3.96Å; F122-I178 HydrophobicContact CE2-CB 4.37Å; F122-I178 HydrophobicContact CE2-CG1 3.67Å; I163-I178 HydrophobicContact CG2-CG2 4.24Å; K174-I178 HydrophobicContact CG-CD1 4.09Å; K174-I178 WeakPolarHBondContact O-CD1 3.34Å; K174-I178 VanDerWaalsContact O-CG1 3.26Å; K174-I178 WeakPolarHBondContact O-CG1 3.38Å; K174-I178 PolarHBondContact O-N 3.3Å; H175-I178 PolarHBondContact O-N 3.5Å; H175-I178 VanDerWaalsContact O-N 3.14Å; I178-S180 PolarHBondContact O-N 2.95Å; I178-S181 PolarHBondContact O-N 3.33Å; I178-F182 WeakPolarHBondContact O-CB 3.39Å; I178-F182 PolarHBondContact O-N 3.37Å |
| 179 | A | 85.3 | Confident | 79.5 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.6 | -44.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I163 H175 R176 F182 R183 F230 | I163-A179 HydrophobicContact CG2-CB 4.33Å; H175-A179 WeakPolarHBondContact O-CB 3.46Å; H175-A179 PolarHBondContact O-N 3.42Å; R176-A179 PolarHBondContact O-N 2.98Å; A179-F182 PolarHBondContact O-N 2.88Å; A179-R183 WeakPolarHBondContact O-CB 3.45Å; A179-R183 PolarHBondContact O-N 3.32Å; A179-F230 HydrophobicContact CB-CE1 4.44Å; A179-F230 HydrophobicContact CB-CZ 4.02Å |
| 180 | S | 82.6 | Confident | 81.1 | Confident | 46 Ų | 46 | 46.7 Ų | 46.7 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 177.1 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | R176 I178 R183 D184 | R176-S180 VanDerWaalsContact O-CB 3.28Å; R176-S180 WeakPolarHBondContact O-CB 3.42Å; R176-S180 PolarHBondContact O-N 3.34Å; R176-S180 PolarHBondContact O-OG 2.93Å; I178-S180 PolarHBondContact O-N 2.95Å; S180-R183 WeakPolarHBondContact O-CB 3.33Å; S180-R183 PolarHBondContact O-N 2.91Å; S180-D184 VanDerWaalsContact O-CG 3.29Å; S180-D184 PolarHBondContact O-N 3.49Å; S180-D184 VanDerWaalsContact O-N 3.13Å |
| 181 | S | 85.1 | Confident | 82.4 | Confident | 24 Ų | 24 | 45.2 Ų | 45.2 | 17% | 0.168 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 177.1 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | W121 K177 I178 D184 S185 | W121-S181 PolarHBondContact NE1-OG 3.46Å; K177-S181 WeakPolarHBondContact O-CB 3.44Å; K177-S181 PolarHBondContact O-N 3.11Å; K177-S181 VanDerWaalsContact O-N 3.07Å; I178-S181 PolarHBondContact O-N 3.33Å; S181-D184 PolarHBondContact O-N 3.23Å; S181-S185 WeakPolarHBondContact O-CB 3.26Å; S181-S185 PolarHBondContact O-N 2.97Å; S181-S185 PolarHBondContact O-OG 3.18Å |
| 182 | F | 89.8 | Confident | 83.6 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 176.9 | 177.7 | -111 | 0 | 0 | 0 | 112.5 | W121 L159 T160 I163 I178 A179 D184 S185 S186 L187 I190 F230 | W121-F182 HydrophobicContact CH2-CB 4.4Å; W121-F182 AromaticContact CH2-CD2 3.49Å; W121-F182 HydrophobicContact CH2-CD2 3.49Å; W121-F182 VanDerWaalsContact CH2-CD2 3.49Å; W121-F182 HydrophobicContact CH2-CE2 4.28Å; W121-F182 HydrophobicContact CH2-CG 4.42Å; W121-F182 HydrophobicContact CZ2-CB 3.91Å; W121-F182 AromaticContact CZ2-CD2 3.87Å; W121-F182 HydrophobicContact CZ2-CD2 3.87Å; W121-F182 HydrophobicContact CZ2-CG 4.41Å; W121-F182 AromaticContact CZ3-CD2 3.99Å; W121-F182 HydrophobicContact CZ3-CD2 3.99Å; L159-F182 HydrophobicContact CD2-CE2 4.4Å; T160-F182 HydrophobicContact CG2-CE1 4.31Å; I163-F182 HydrophobicContact CB-CD1 4.14Å; I163-F182 HydrophobicContact CB-CE1 4.43Å; I163-F182 HydrophobicContact CB-CG 4.49Å; I163-F182 HydrophobicContact CD1-CB 4.09Å; I163-F182 HydrophobicContact CD1-CD1 3.9Å; I163-F182 HydrophobicContact CD1-CD2 3.45Å; I163-F182 VanDerWaalsContact CD1-CD2 3.45Å; I163-F182 HydrophobicContact CD1-CE1 4.1Å; I163-F182 HydrophobicContact CD1-CE2 3.7Å; I163-F182 HydrophobicContact CD1-CG 3.54Å; I163-F182 HydrophobicContact CD1-CZ 4.02Å; I163-F182 HydrophobicContact CG2-CB 3.83Å; I163-F182 HydrophobicContact CG2-CD1 3.66Å; I163-F182 HydrophobicContact CG2-CE1 4.41Å; I163-F182 HydrophobicContact CG2-CG 3.88Å; I178-F182 WeakPolarHBondContact O-CB 3.39Å; I178-F182 PolarHBondContact O-N 3.37Å; A179-F182 PolarHBondContact O-N 2.88Å; F182-D184 VanDerWaalsContact C-N 3.29Å; F182-D184 PolarHBondContact O-N 3.21Å; F182-S185 PolarHBondContact O-N 3.38Å; F182-S186 PolarHBondContact O-N 3.11Å; F182-L187 HydrophobicContact CD1-CB 4.38Å; F182-L187 HydrophobicContact CD1-CD1 4.44Å; F182-L187 HydrophobicContact CE1-CB 4.28Å; F182-L187 HydrophobicContact CE1-CD1 3.73Å; F182-L187 HydrophobicContact CZ-CD1 4.34Å; F182-L187 PolarHBondContact O-N 3.08Å; F182-I190 HydrophobicContact CE2-CD1 3.83Å; F182-I190 HydrophobicContact CZ-CD1 3.6Å; F182-F230 AromaticContact CD1-CE2 3.76Å; F182-F230 HydrophobicContact CD1-CE2 3.76Å; F182-F230 AromaticContact CD1-CZ 3.95Å; F182-F230 HydrophobicContact CD1-CZ 3.95Å; F182-F230 HydrophobicContact CE1-CE2 4.04Å |
| 183 | R | 87.9 | Confident | 84.8 | Confident | 52 Ų | 52 | 41.8 Ų | 41.8 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -52.8 | -47 | 174 | -179.3 | -163.8 | 69 | -155.8 | -9.8 | 111.7 | A179 S180 L187 F230 F232 P250 | A179-R183 WeakPolarHBondContact O-CB 3.45Å; A179-R183 PolarHBondContact O-N 3.32Å; S180-R183 WeakPolarHBondContact O-CB 3.33Å; S180-R183 PolarHBondContact O-N 2.91Å; R183-L187 HydrophobicContact CB-CD2 4.49Å; R183-L187 HydrophobicContact CG-CD2 4.37Å; R183-F230 HydrophobicContact CB-CE1 3.99Å; R183-F230 HydrophobicContact CG-CE1 4.5Å; R183-F232 HydrophobicContact CG-CD1 3.81Å; R183-F232 HydrophobicContact CG-CE1 4.29Å; R183-F232 PolarHBondContact NH1-O 3.26Å; R183-P250 HydrophobicContact CG-CG 4.12Å |
| 184 | D | 84 | Confident | 86 | Confident | 106 Ų | 106 | 39.8 Ų | 39.8 | 57% | 0.567 | 20% | 0.204 | S | C | * | . | I | π-helix | trans | -83.5 | -23.2 | -172.6 | -63.1 | -21.1 | 0 | 0 | 0 | 113.4 | S180 S181 F182 | S180-D184 VanDerWaalsContact O-CG 3.29Å; S180-D184 PolarHBondContact O-N 3.49Å; S180-D184 VanDerWaalsContact O-N 3.13Å; S181-D184 PolarHBondContact O-N 3.23Å; F182-D184 VanDerWaalsContact C-N 3.29Å; F182-D184 PolarHBondContact O-N 3.21Å |
| 185 | S | 85.7 | Confident | 87.1 | Confident | 52 Ų | 52 | 35.9 Ų | 35.9 | 36% | 0.364 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -110.5 | -22.6 | -172.4 | 61.8 | 0 | 0 | 0 | 0 | 116.2 | S181 F182 | S181-S185 WeakPolarHBondContact O-CB 3.26Å; S181-S185 PolarHBondContact O-N 2.97Å; S181-S185 PolarHBondContact O-OG 3.18Å; F182-S185 PolarHBondContact O-N 3.38Å |
| 186 | S | 89.2 | Confident | 87.6 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 8% | 0.077 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -141.1 | -29.6 | -172.6 | -55.2 | 0 | 0 | 0 | 0 | 114.6 | F182 F188 D189 I190 | F182-S186 PolarHBondContact O-N 3.11Å; S186-F188 VanDerWaalsContact C-N 3.31Å; S186-F188 PolarHBondContact O-N 3.34Å; S186-D189 PolarHBondContact O-N 3.42Å; S186-I190 WeakPolarHBondContact O-CG1 3.41Å; S186-I190 PolarHBondContact O-N 3.39Å; S186-I190 VanDerWaalsContact O-N 3.1Å |
| 187 | L | 92.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -60.9 | -37.8 | -172.3 | -174.2 | 65.6 | 0 | 0 | 0 | 113.2 | T160 F182 R183 I190 F191 C227 F230 F232 W253 | T160-L187 HydrophobicContact CG2-CD1 3.71Å; F182-L187 HydrophobicContact CD1-CB 4.38Å; F182-L187 HydrophobicContact CD1-CD1 4.44Å; F182-L187 HydrophobicContact CE1-CB 4.28Å; F182-L187 HydrophobicContact CE1-CD1 3.73Å; F182-L187 HydrophobicContact CZ-CD1 4.34Å; F182-L187 PolarHBondContact O-N 3.08Å; R183-L187 HydrophobicContact CB-CD2 4.49Å; R183-L187 HydrophobicContact CG-CD2 4.37Å; L187-I190 PolarHBondContact O-N 2.96Å; L187-F191 PolarHBondContact O-N 2.83Å; L187-C227 HydrophobicContact CD1-CB 4.17Å; L187-F230 HydrophobicContact CD1-CD2 4.28Å; L187-F230 HydrophobicContact CD2-CB 3.77Å; L187-F230 HydrophobicContact CD2-CD1 3.69Å; L187-F230 HydrophobicContact CD2-CD2 4Å; L187-F230 HydrophobicContact CD2-CE1 4.28Å; L187-F230 HydrophobicContact CD2-CG 3.53Å; L187-F232 HydrophobicContact CD2-CE1 3.83Å; L187-F232 HydrophobicContact CD2-CZ 4.33Å; L187-W253 HydrophobicContact CB-CZ2 4.07Å; L187-W253 HydrophobicContact CD2-CH2 4.13Å; L187-W253 HydrophobicContact CD2-CZ2 3.89Å; L187-W253 HydrophobicContact CG-CH2 3.82Å; L187-W253 HydrophobicContact CG-CZ2 3.63Å |
| 188 | F | 91.8 | Very high | 88.7 | Confident | 49 Ų | 49 | 30.8 Ų | 30.8 | 22% | 0.215 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66 | -39.8 | 178.8 | -173.6 | -128.5 | 0 | 0 | 0 | 112.9 | S186 I190 F191 T192 W253 A256 | S186-F188 VanDerWaalsContact C-N 3.31Å; S186-F188 PolarHBondContact O-N 3.34Å; F188-I190 VanDerWaalsContact C-N 3.35Å; F188-F191 HydrophobicContact CD2-CD1 4.43Å; F188-F191 HydrophobicContact CE2-CD1 4.45Å; F188-F191 PolarHBondContact O-N 3.09Å; F188-T192 WeakPolarHBondContact O-CB 3.39Å; F188-T192 PolarHBondContact O-N 3.41Å; F188-T192 PolarHBondContact O-OG1 3.49Å; F188-W253 VanDerWaalsContact CA-CZ2 3.49Å; F188-W253 HydrophobicContact CB-CD2 4.45Å; F188-W253 HydrophobicContact CB-CZ2 4.02Å; F188-W253 HydrophobicContact CD2-CB 4.01Å; F188-W253 AromaticContact CD2-CD1 3.45Å; F188-W253 VanDerWaalsContact CD2-CD1 3.45Å; F188-W253 AromaticContact CD2-CD2 3.39Å; F188-W253 HydrophobicContact CD2-CD2 3.39Å; F188-W253 AromaticContact CD2-CE2 3.54Å; F188-W253 HydrophobicContact CD2-CE3 4.02Å; F188-W253 AromaticContact CD2-CG 3.35Å; F188-W253 HydrophobicContact CD2-CG 3.35Å; F188-W253 HydrophobicContact CD2-CZ2 4.26Å; F188-W253 AromaticContact CD2-NE1 3.58Å; F188-W253 HydrophobicContact CE2-CB 3.86Å; F188-W253 HydrophobicContact CE2-CD2 4.06Å; F188-W253 AromaticContact CE2-CG 3.75Å; F188-W253 HydrophobicContact CE2-CG 3.75Å; F188-W253 AromaticContact CG-CD1 3.77Å; F188-W253 HydrophobicContact CG-CD2 4.29Å; F188-W253 HydrophobicContact CG-CG 4.15Å; F188-W253 AromaticContact CG-NE1 3.71Å; F188-A256 HydrophobicContact CE2-CB 4.02Å; F188-A256 HydrophobicContact CZ-CB 4.37Å |
| 189 | D | 91.8 | Very high | 88.9 | Confident | 86 Ų | 86 | 33.6 Ų | 33.6 | 46% | 0.46 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67.8 | -39.6 | 179 | -63.3 | -29.6 | 0 | 0 | 0 | 110.5 | I135 S186 T192 L193 | I135-D189 HydrophobicContact CD1-CB 3.63Å; S186-D189 PolarHBondContact O-N 3.42Å; D189-T192 PolarHBondContact O-N 3.13Å; D189-L193 VanDerWaalsContact O-CB 3.24Å; D189-L193 WeakPolarHBondContact O-CB 3.45Å; D189-L193 PolarHBondContact O-N 2.97Å |
| 190 | I | 93.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -45.2 | 173.9 | -65.1 | 170.1 | 0 | 0 | 0 | 110.9 | I135 L156 F182 S186 L187 F188 L193 S194 L223 | I135-I190 HydrophobicContact CD1-CD1 4.48Å; I135-I190 HydrophobicContact CD1-CG1 3.75Å; I135-I190 HydrophobicContact CG1-CD1 4.4Å; I135-I190 HydrophobicContact CG1-CG1 3.86Å; L156-I190 HydrophobicContact CB-CG2 4.27Å; L156-I190 HydrophobicContact CD1-CG2 4.47Å; L156-I190 HydrophobicContact CD2-CD1 4.25Å; L156-I190 HydrophobicContact CD2-CG1 4.31Å; F182-I190 HydrophobicContact CE2-CD1 3.83Å; F182-I190 HydrophobicContact CZ-CD1 3.6Å; S186-I190 WeakPolarHBondContact O-CG1 3.41Å; S186-I190 PolarHBondContact O-N 3.39Å; S186-I190 VanDerWaalsContact O-N 3.1Å; L187-I190 PolarHBondContact O-N 2.96Å; F188-I190 VanDerWaalsContact C-N 3.35Å; I190-L193 PolarHBondContact O-N 3.06Å; I190-S194 PolarHBondContact O-N 3.4Å; I190-L223 HydrophobicContact CG2-CD1 3.64Å; I190-L223 HydrophobicContact CG2-CD2 4.27Å; I190-L223 HydrophobicContact CG2-CG 4.23Å |
| 191 | F | 92.9 | Very high | 88.5 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.5 | 172.7 | -103.3 | 0 | 0 | 0 | 112.6 | L187 F188 S194 C195 T224 C227 L228 W253 A256 F257 | L187-F191 PolarHBondContact O-N 2.83Å; F188-F191 HydrophobicContact CD2-CD1 4.43Å; F188-F191 HydrophobicContact CE2-CD1 4.45Å; F188-F191 PolarHBondContact O-N 3.09Å; F191-S194 PolarHBondContact O-N 3.07Å; F191-S194 PolarHBondContact O-OG 3.16Å; F191-C195 PolarHBondContact O-N 2.95Å; F191-C195 PolarHBondContact O-SG 3.39Å; F191-C195 VanDerWaalsContact O-SG 3.41Å; F191-T224 HydrophobicContact CD2-CG2 4.2Å; F191-T224 HydrophobicContact CE2-CG2 3.88Å; F191-C227 HydrophobicContact CB-CB 4.08Å; F191-C227 HydrophobicContact CD2-CB 4.12Å; F191-L228 HydrophobicContact CD2-CD2 4.41Å; F191-L228 HydrophobicContact CD2-CG 4.46Å; F191-L228 HydrophobicContact CE2-CD1 4.36Å; F191-L228 HydrophobicContact CE2-CD2 3.77Å; F191-L228 HydrophobicContact CE2-CG 3.98Å; F191-L228 HydrophobicContact CZ-CD2 4.24Å; F191-W253 HydrophobicContact CB-CH2 3.72Å; F191-W253 HydrophobicContact CB-CZ3 3.75Å; F191-W253 AromaticContact CD1-CE3 3.92Å; F191-W253 HydrophobicContact CD1-CE3 3.92Å; F191-W253 AromaticContact CD1-CZ3 3.74Å; F191-W253 HydrophobicContact CD1-CZ3 3.74Å; F191-W253 HydrophobicContact CD2-CZ3 4.01Å; F191-W253 HydrophobicContact CE1-CE3 4.31Å; F191-W253 HydrophobicContact CE1-CZ3 4.35Å; F191-W253 HydrophobicContact CG-CE3 4.21Å; F191-W253 HydrophobicContact CG-CH2 4.05Å; F191-W253 AromaticContact CG-CZ3 3.54Å; F191-W253 HydrophobicContact CG-CZ3 3.54Å; F191-A256 HydrophobicContact CE1-CB 4Å; F191-F257 HydrophobicContact CZ-CZ 4.32Å |
| 192 | T | 91.4 | Very high | 87.9 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 30% | 0.301 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.8 | -41.7 | 178.3 | -57.2 | 0 | 0 | 0 | 0 | 111 | F188 D189 C195 N196 | F188-T192 WeakPolarHBondContact O-CB 3.39Å; F188-T192 PolarHBondContact O-N 3.41Å; F188-T192 PolarHBondContact O-OG1 3.49Å; D189-T192 PolarHBondContact O-N 3.13Å; T192-C195 PolarHBondContact O-N 3.06Å; T192-N196 WeakPolarHBondContact O-CB 3.3Å; T192-N196 VanDerWaalsContact O-CG 3.27Å; T192-N196 PolarHBondContact O-N 2.85Å; T192-N196 PolarHBondContact O-ND2 2.79Å |
| 193 | L | 90.6 | Very high | 86.6 | Confident | 41 Ų | 41 | 41.9 Ų | 41.9 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 174.8 | 178.7 | 62.7 | 0 | 0 | 0 | 111.7 | L142 L156 D189 I190 C195 N196 L197 | L142-L193 HydrophobicContact CD1-CD1 4.08Å; L142-L193 HydrophobicContact CD1-CD2 3.76Å; L142-L193 HydrophobicContact CD1-CG 4.3Å; L156-L193 HydrophobicContact CD1-CD2 4Å; D189-L193 VanDerWaalsContact O-CB 3.24Å; D189-L193 WeakPolarHBondContact O-CB 3.45Å; D189-L193 PolarHBondContact O-N 2.97Å; I190-L193 PolarHBondContact O-N 3.06Å; L193-C195 PolarHBondContact O-N 3.42Å; L193-N196 PolarHBondContact O-N 3.24Å; L193-L197 HydrophobicContact CD1-CD1 4.15Å; L193-L197 HydrophobicContact CD1-CG 4.29Å; L193-L197 HydrophobicContact CG-CD1 4.13Å; L193-L197 WeakPolarHBondContact O-CG 3.4Å; L193-L197 PolarHBondContact O-N 3.14Å |
| 194 | S | 91.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -43.5 | 179.1 | 76.6 | 0 | 0 | 0 | 0 | 111.8 | I190 F191 N196 L197 L198 T224 | I190-S194 PolarHBondContact O-N 3.4Å; F191-S194 PolarHBondContact O-N 3.07Å; F191-S194 PolarHBondContact O-OG 3.16Å; S194-N196 PolarHBondContact O-N 3.32Å; S194-L197 PolarHBondContact O-N 3.4Å; S194-L198 WeakPolarHBondContact O-CB 3.45Å; S194-L198 WeakPolarHBondContact O-CG 3.47Å; S194-L198 PolarHBondContact O-N 2.92Å; S194-T224 WeakPolarHBondContact CB-OG1 3.28Å; S194-T224 PolarHBondContact OG-OG1 3.04Å |
| 195 | C | 90 | Very high | 83.7 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 5% | 0.054 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 175.4 | -74.3 | 0 | 0 | 0 | 0 | 112.4 | F191 T192 L193 L198 K199 | F191-C195 PolarHBondContact O-N 2.95Å; F191-C195 PolarHBondContact O-SG 3.39Å; F191-C195 VanDerWaalsContact O-SG 3.41Å; T192-C195 PolarHBondContact O-N 3.06Å; L193-C195 PolarHBondContact O-N 3.42Å; C195-L198 PolarHBondContact O-N 3.3Å; C195-K199 WeakPolarHBondContact O-CG 3.17Å; C195-K199 PolarHBondContact O-N 3.26Å |
| 196 | N | 89.3 | Confident | 82.4 | Confident | 76 Ų | 76 | 50 Ų | 50 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 178.5 | -73.5 | -25.6 | 0 | 0 | 0 | 112.1 | T192 L193 S194 L198 K199 Q200 | T192-N196 WeakPolarHBondContact O-CB 3.3Å; T192-N196 VanDerWaalsContact O-CG 3.27Å; T192-N196 PolarHBondContact O-N 2.85Å; T192-N196 PolarHBondContact O-ND2 2.79Å; L193-N196 PolarHBondContact O-N 3.24Å; S194-N196 PolarHBondContact O-N 3.32Å; N196-L198 VanDerWaalsContact C-N 3.35Å; N196-K199 PolarHBondContact O-N 2.86Å; N196-Q200 WeakPolarHBondContact O-CG 3.45Å; N196-Q200 PolarHBondContact O-N 3.47Å |
| 197 | L | 87.4 | Confident | 81.1 | Confident | 26 Ų | 26 | 53.5 Ų | 53.5 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -38.1 | 175.2 | -69.9 | 173.5 | 0 | 0 | 0 | 111.7 | L142 V153 L193 S194 Q200 A201 L220 | L142-L197 HydrophobicContact CD1-CD1 4.31Å; L142-L197 HydrophobicContact CD2-CD1 4.11Å; V153-L197 HydrophobicContact CG2-CD1 4.36Å; L193-L197 HydrophobicContact CD1-CD1 4.15Å; L193-L197 HydrophobicContact CD1-CG 4.29Å; L193-L197 HydrophobicContact CG-CD1 4.13Å; L193-L197 WeakPolarHBondContact O-CG 3.4Å; L193-L197 PolarHBondContact O-N 3.14Å; S194-L197 PolarHBondContact O-N 3.4Å; L197-Q200 PolarHBondContact O-N 3Å; L197-A201 VanDerWaalsContact O-CB 3.32Å; L197-A201 WeakPolarHBondContact O-CB 3.35Å; L197-A201 PolarHBondContact O-N 3.42Å; L197-L220 HydrophobicContact CB-CD1 3.95Å; L197-L220 HydrophobicContact CB-CD2 3.61Å; L197-L220 HydrophobicContact CB-CG 4.47Å; L197-L220 HydrophobicContact CD1-CD2 3.82Å; L197-L220 HydrophobicContact CG-CD2 4.39Å |
| 198 | L | 87.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 172.5 | -77.8 | 170.3 | 0 | 0 | 0 | 112 | S194 C195 N196 Q200 A201 S202 L217 L220 L221 T224 L265 F266 L269 | S194-L198 WeakPolarHBondContact O-CB 3.45Å; S194-L198 WeakPolarHBondContact O-CG 3.47Å; S194-L198 PolarHBondContact O-N 2.92Å; C195-L198 PolarHBondContact O-N 3.3Å; N196-L198 VanDerWaalsContact C-N 3.35Å; L198-Q200 VanDerWaalsContact C-N 3.33Å; L198-Q200 PolarHBondContact O-N 3.5Å; L198-A201 PolarHBondContact O-N 3.5Å; L198-S202 VanDerWaalsContact O-CB 3.23Å; L198-S202 WeakPolarHBondContact O-CB 3.33Å; L198-S202 PolarHBondContact O-N 2.91Å; L198-L217 HydrophobicContact CD2-CG 4.33Å; L198-L220 HydrophobicContact CD2-CB 3.55Å; L198-L220 HydrophobicContact CD2-CD1 4.18Å; L198-L220 HydrophobicContact CD2-CG 4.5Å; L198-L220 HydrophobicContact CG-CB 3.86Å; L198-L220 HydrophobicContact CG-CD1 4.42Å; L198-L221 HydrophobicContact CD1-CD2 4.23Å; L198-L221 HydrophobicContact CD2-CD2 4.21Å; L198-L221 HydrophobicContact CD2-CG 4.22Å; L198-T224 WeakPolarHBondContact CD1-OG1 3.26Å; L198-L265 HydrophobicContact CB-CD2 4.1Å; L198-F266 HydrophobicContact CD1-CE1 4.21Å; L198-F266 HydrophobicContact CD1-CZ 4.44Å; L198-L269 HydrophobicContact CD2-CD1 4.33Å |
| 199 | K | 85.9 | Confident | 77.9 | Confident | 66 Ų | 66 | 62.3 Ų | 62.3 | 29% | 0.287 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 175 | -72.6 | 176.8 | 179.7 | -178.6 | 0 | 111.5 | C195 N196 S202 G203 D259 S261 L265 | C195-K199 WeakPolarHBondContact O-CG 3.17Å; C195-K199 PolarHBondContact O-N 3.26Å; N196-K199 PolarHBondContact O-N 2.86Å; K199-S202 PolarHBondContact O-N 3.19Å; K199-G203 PolarHBondContact O-N 3.12Å; K199-D259 IonicContact NZ-OD2 3.96Å; K199-S261 PolarHBondContact NZ-OG 3.42Å; K199-L265 HydrophobicContact CG-CD1 3.9Å; K199-L265 HydrophobicContact CG-CD2 3.7Å; K199-L265 HydrophobicContact CG-CG 4.34Å |
| 200 | Q | 82.9 | Confident | 76.9 | Confident | 127 Ų | 127 | 60.8 Ų | 60.8 | 59% | 0.593 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -67.9 | -40.6 | 178.4 | -71.2 | 177.6 | 10.9 | 0 | 0 | 113 | N196 L197 L198 S202 | N196-Q200 WeakPolarHBondContact O-CG 3.45Å; N196-Q200 PolarHBondContact O-N 3.47Å; L197-Q200 PolarHBondContact O-N 3Å; L198-Q200 VanDerWaalsContact C-N 3.33Å; L198-Q200 PolarHBondContact O-N 3.5Å; Q200-S202 VanDerWaalsContact C-N 3.34Å |
| 201 | A | 77.6 | Confident | 75.7 | Confident | 30 Ų | 30 | 69.1 Ų | 69.1 | 25% | 0.248 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.7 | -33.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | L197 L198 | L197-A201 VanDerWaalsContact O-CB 3.32Å; L197-A201 WeakPolarHBondContact O-CB 3.35Å; L197-A201 PolarHBondContact O-N 3.42Å; L198-A201 PolarHBondContact O-N 3.5Å |
| 202 | S | 73.3 | Confident | 74.7 | Confident | 29 Ų | 29 | 71.3 Ų | 71.3 | 20% | 0.203 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -78.8 | -37.6 | 178.6 | -171.1 | 0 | 0 | 0 | 0 | 113.6 | L198 K199 Q200 K204 | L198-S202 VanDerWaalsContact O-CB 3.23Å; L198-S202 WeakPolarHBondContact O-CB 3.33Å; L198-S202 PolarHBondContact O-N 2.91Å; K199-S202 PolarHBondContact O-N 3.19Å; Q200-S202 VanDerWaalsContact C-N 3.34Å; S202-K204 PolarHBondContact O-N 3.2Å |
| 203 | G | 62.6 | Low | 73.8 | Confident | 69 Ų | 69 | 72.5 Ų | 72.5 | 71% | 0.711 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -75.9 | -12.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | K199 | K199-G203 PolarHBondContact O-N 3.12Å |
| 204 | K | 57.3 | Low | 73 | Confident | 169 Ų | 169 | 72.2 Ų | 72.2 | 74% | 0.735 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -99.6 | 110.5 | 172.6 | -67.7 | -179.6 | -178.9 | 176.9 | 0 | 107.6 | S202 L206 | S202-K204 PolarHBondContact O-N 3.2Å; K204-L206 PolarHBondContact O-N 3.06Å |
| 205 | N | 52.5 | Low | 72.4 | Confident | 162 Ų | 162 | 73.4 Ų | 73.4 | 87% | 0.866 | 40% | 0.4 | S | S | * | . | trans | -9 | 89.1 | 176.7 | -77.6 | -23.2 | 0 | 0 | 0 | 113.2 | N207 | N205-N207 PolarHBondContact O-N 2.84Š| ||
| 206 | L | 58.4 | Low | 72.2 | Confident | 48 Ų | 48 | 74 Ų | 74 | 25% | 0.251 | 40% | 0.403 | S | S | . | . | trans | -51.7 | 107.8 | -175.4 | -102.7 | 144.9 | 0 | 0 | 0 | 108.9 | K204 L208 L217 | K204-L206 PolarHBondContact O-N 3.06Å; L206-L208 VanDerWaalsContact C-N 3.34Å; L206-L208 HydrophobicContact CB-CD2 4.38Å; L206-L208 HydrophobicContact CD2-CD2 4.28Å; L206-L208 PolarHBondContact O-N 2.8Å; L206-L217 HydrophobicContact CD2-CD1 4.36Å | ||
| 207 | N | 62.3 | Low | 71.9 | Confident | 85 Ų | 85 | 70.6 Ų | 70.6 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | trans | -82.2 | 89.6 | 173.6 | -170.6 | 0.5 | 0 | 0 | 0 | 107.7 | N205 N209 D210 | N205-N207 PolarHBondContact O-N 2.84Å; N207-N209 PolarHBondContact O-N 2.88Å; N207-N209 PolarHBondContact OD1-N 3.14Å; N207-D210 HydrophobicContact CB-CB 4.4Å; N207-D210 PolarHBondContact O-N 3.03Å | ||
| 208 | L | 57.8 | Low | 71.8 | Confident | 84 Ų | 84 | 71.4 Ų | 71.4 | 44% | 0.44 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -10.2 | -178.5 | -63.4 | 176.5 | 0 | 0 | 0 | 114 | L206 P274 | L206-L208 VanDerWaalsContact C-N 3.34Å; L206-L208 HydrophobicContact CB-CD2 4.38Å; L206-L208 HydrophobicContact CD2-CD2 4.28Å; L206-L208 PolarHBondContact O-N 2.8Å; L208-P274 HydrophobicContact CD2-CG 4.46Å |
| 209 | N | 59 | Low | 71.8 | Confident | 150 Ų | 150 | 73.8 Ų | 73.8 | 80% | 0.802 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -5.8 | 176.2 | -63.4 | -24.3 | 0 | 0 | 0 | 113.8 | N207 | N207-N209 PolarHBondContact O-N 2.88Å; N207-N209 PolarHBondContact OD1-N 3.14Å |
| 210 | D | 70.9 | Confident | 72 | Confident | 54 Ų | 54 | 70.7 Ų | 70.7 | 29% | 0.289 | 39% | 0.386 | S | S | . | . | trans | -92.6 | 102.3 | 177.4 | -172.6 | -14.1 | 0 | 0 | 0 | 110.5 | N207 S212 Q213 H214 | N207-D210 HydrophobicContact CB-CB 4.4Å; N207-D210 PolarHBondContact O-N 3.03Å; D210-S212 PolarHBondContact O-N 2.82Å; D210-S212 VanDerWaalsContact O-N 3.11Å; D210-S212 WeakPolarHBondContact OD1-CB 3.35Å; D210-S212 PolarHBondContact OD1-N 3.48Å; D210-S212 PolarHBondContact OD1-OG 3.16Å; D210-S212 PolarHBondContact OD2-OG 3.29Å; D210-Q213 HydrophobicContact CB-CB 4.27Å; D210-Q213 HydrophobicContact CB-CG 4.17Å; D210-Q213 PolarHBondContact O-N 3.18Å; D210-H214 PolarHBondContact O-N 3.26Å; D210-H214 VanDerWaalsContact O-N 3.13Å | ||
| 211 | E | 68.4 | Low | 72.4 | Confident | 177 Ų | 177 | 64.7 Ų | 64.7 | 83% | 0.827 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -54.8 | -29.2 | 178.9 | -70.4 | -173.2 | 164.1 | 0 | 0 | 113 | G215 | E211-G215 PolarHBondContact O-N 3.16Å |
| 212 | S | 70.4 | Confident | 73.1 | Confident | 47 Ų | 47 | 67.7 Ų | 67.7 | 33% | 0.329 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.4 | -41.5 | -178.2 | 74 | 0 | 0 | 0 | 0 | 112.4 | D210 H214 G215 L216 | D210-S212 PolarHBondContact O-N 2.82Å; D210-S212 VanDerWaalsContact O-N 3.11Å; D210-S212 WeakPolarHBondContact OD1-CB 3.35Å; D210-S212 PolarHBondContact OD1-N 3.48Å; D210-S212 PolarHBondContact OD1-OG 3.16Å; D210-S212 PolarHBondContact OD2-OG 3.29Å; S212-H214 VanDerWaalsContact C-N 3.29Å; S212-H214 PolarHBondContact O-N 3.07Å; S212-G215 PolarHBondContact O-N 3.18Å; S212-L216 PolarHBondContact O-N 2.75Å; S212-L216 VanDerWaalsContact O-N 3.11Å |
| 213 | Q | 73 | Confident | 74 | Confident | 75 Ų | 75 | 66.4 Ų | 66.4 | 35% | 0.35 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 173.9 | -69.1 | -172.6 | -1.1 | 0 | 0 | 110.8 | D210 L216 L217 | D210-Q213 HydrophobicContact CB-CB 4.27Å; D210-Q213 HydrophobicContact CB-CG 4.17Å; D210-Q213 PolarHBondContact O-N 3.18Å; Q213-L216 PolarHBondContact O-N 2.98Å; Q213-L217 PolarHBondContact O-N 3.38Å; Q213-L217 VanDerWaalsContact O-N 3.11Å |
| 214 | H | 74.8 | Confident | 75.5 | Confident | 34 Ų | 34 | 63.1 Ų | 63.1 | 16% | 0.157 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.7 | -48 | 176 | -167.9 | 71.3 | 0 | 0 | 0 | 112.1 | D210 S212 L216 L217 M218 F277 | D210-H214 PolarHBondContact O-N 3.26Å; D210-H214 VanDerWaalsContact O-N 3.13Å; S212-H214 VanDerWaalsContact C-N 3.29Å; S212-H214 PolarHBondContact O-N 3.07Å; H214-L216 VanDerWaalsContact C-N 3.29Å; H214-L216 PolarHBondContact O-N 2.75Å; H214-L217 PolarHBondContact O-N 3.28Å; H214-M218 WeakPolarHBondContact NE2-CG 3.25Å; H214-M218 PolarHBondContact O-N 3.25Å; H214-M218 VanDerWaalsContact O-N 3.09Å; H214-F277 AromaticContact CD2-CE1 3.74Å; H214-F277 AromaticContact CD2-CE2 3.76Å; H214-F277 AromaticContact CD2-CZ 3.51Å; H214-F277 AromaticContact CE1-CD1 3.7Å; H214-F277 AromaticContact CE1-CD2 2.96Å; H214-F277 WeakPolarHBondContact CE1-CD2 3.47Å; H214-F277 AromaticContact CE1-CE1 3.95Å; H214-F277 AromaticContact CE1-CE2 3.26Å; H214-F277 WeakPolarHBondContact CE1-CE2 3.18Å; H214-F277 AromaticContact CE1-CG 3.17Å; H214-F277 WeakPolarHBondContact CE1-CG 3.38Å; H214-F277 AromaticContact CE1-CZ 3.74Å; H214-F277 AromaticContact ND1-CD2 3.94Å; H214-F277 AromaticContact ND1-CE2 3.95Å; H214-F277 AromaticContact NE2-CD1 3.04Å; H214-F277 WeakPolarHBondContact NE2-CD1 3.41Å; H214-F277 AromaticContact NE2-CD2 3.13Å; H214-F277 WeakPolarHBondContact NE2-CD2 3.48Å; H214-F277 AromaticContact NE2-CE1 3.04Å; H214-F277 WeakPolarHBondContact NE2-CE1 3.31Å; H214-F277 AromaticContact NE2-CE2 3.12Å; H214-F277 WeakPolarHBondContact NE2-CE2 3.44Å; H214-F277 AromaticContact NE2-CG 3.06Å; H214-F277 WeakPolarHBondContact NE2-CG 3.44Å; H214-F277 AromaticContact NE2-CZ 3.06Å; H214-F277 WeakPolarHBondContact NE2-CZ 3.15Å |
| 215 | G | 79.5 | Confident | 77.2 | Confident | 25 Ų | 25 | 56.5 Ų | 56.5 | 26% | 0.258 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.8 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E211 S212 Q219 | E211-G215 PolarHBondContact O-N 3.16Å; S212-G215 PolarHBondContact O-N 3.18Å; G215-Q219 WeakPolarHBondContact O-CG 3.37Å; G215-Q219 PolarHBondContact O-N 2.74Å |
| 216 | L | 84.1 | Confident | 79.1 | Confident | 22 Ų | 22 | 50 Ų | 50 | 12% | 0.115 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 174.9 | 176.9 | 61.7 | 0 | 0 | 0 | 112.2 | V146 C149 I150 V153 S212 Q213 H214 M218 Q219 L220 | V146-L216 HydrophobicContact CG1-CB 4.13Å; V146-L216 HydrophobicContact CG1-CD2 4.2Å; C149-L216 HydrophobicContact CB-CD1 4.12Å; I150-L216 HydrophobicContact CD1-CB 4.33Å; I150-L216 HydrophobicContact CG1-CB 3.89Å; I150-L216 HydrophobicContact CG1-CD1 4.01Å; V153-L216 HydrophobicContact CG2-CD1 4.32Å; S212-L216 PolarHBondContact O-N 2.75Å; S212-L216 VanDerWaalsContact O-N 3.11Å; Q213-L216 PolarHBondContact O-N 2.98Å; H214-L216 VanDerWaalsContact C-N 3.29Å; H214-L216 PolarHBondContact O-N 2.75Å; L216-M218 VanDerWaalsContact C-N 3.3Å; L216-M218 PolarHBondContact O-N 3.02Å; L216-Q219 PolarHBondContact O-N 3.37Å; L216-L220 HydrophobicContact CD1-CD1 4.11Å; L216-L220 HydrophobicContact CD1-CG 4.2Å; L216-L220 HydrophobicContact CG-CD1 3.94Å; L216-L220 HydrophobicContact CG-CG 4.46Å; L216-L220 WeakPolarHBondContact O-CG 3.31Å; L216-L220 PolarHBondContact O-N 3.31Å |
| 217 | L | 84.4 | Confident | 80.7 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.8 | -39.5 | -178.8 | -168.8 | 127.5 | 0 | 0 | 0 | 111.9 | L198 L206 Q213 H214 L220 L221 L269 I273 | L198-L217 HydrophobicContact CD2-CG 4.33Å; L206-L217 HydrophobicContact CD2-CD1 4.36Å; Q213-L217 PolarHBondContact O-N 3.38Å; Q213-L217 VanDerWaalsContact O-N 3.11Å; H214-L217 PolarHBondContact O-N 3.28Å; L217-L220 PolarHBondContact O-N 3.15Å; L217-L221 HydrophobicContact CD2-CD1 3.68Å; L217-L221 HydrophobicContact CD2-CG 4.35Å; L217-L221 WeakPolarHBondContact O-CG 3.01Å; L217-L221 PolarHBondContact O-N 3.26Å; L217-L269 HydrophobicContact CD1-CD2 4.1Å; L217-I273 HydrophobicContact CD1-CD1 4.43Å; L217-I273 HydrophobicContact CD2-CD1 3.34Å; L217-I273 HydrophobicContact CD2-CG1 4.01Å; L217-I273 HydrophobicContact CG-CD1 4.47Å |
| 218 | M | 85 | Confident | 82.1 | Confident | 42 Ų | 42 | 43.7 Ų | 43.7 | 21% | 0.207 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 175.3 | -75.8 | -62.6 | -72.4 | 0 | 0 | 113.1 | H214 L216 L220 K222 F277 L280 | H214-M218 WeakPolarHBondContact NE2-CG 3.25Å; H214-M218 PolarHBondContact O-N 3.25Å; H214-M218 VanDerWaalsContact O-N 3.09Å; L216-M218 VanDerWaalsContact C-N 3.3Å; L216-M218 PolarHBondContact O-N 3.02Å; M218-L220 VanDerWaalsContact C-N 3.33Å; M218-K222 WeakPolarHBondContact O-CB 3.26Å; M218-K222 PolarHBondContact O-N 3.23Å; M218-F277 HydrophobicContact CE-CD1 3.73Å; M218-F277 HydrophobicContact CE-CE1 4.46Å; M218-F277 HydrophobicContact CG-CD1 3.9Å; M218-F277 HydrophobicContact CG-CE1 4.38Å; M218-F277 HydrophobicContact SD-CB 3.68Å; M218-F277 HydrophobicContact SD-CD1 3.46Å; M218-F277 WeakPolarHBondContact SD-CD1 3.09Å; M218-F277 HydrophobicContact SD-CE1 4.42Å; M218-F277 HydrophobicContact SD-CG 3.94Å; M218-L280 HydrophobicContact CE-CD1 3.38Å; M218-L280 HydrophobicContact CE-CG 4.43Å; M218-L280 HydrophobicContact SD-CD1 4Å |
| 219 | Q | 88.1 | Confident | 83.6 | Confident | 51 Ų | 51 | 42.7 Ų | 42.7 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.3 | -36.3 | 176.5 | -64.8 | -55 | -43.1 | 0 | 0 | 111.9 | I150 V153 T154 G215 L216 K222 L223 | I150-Q219 HydrophobicContact CG2-CG 4.23Å; V153-Q219 HydrophobicContact CB-CB 4.33Å; V153-Q219 VanDerWaalsContact CG1-C 3.42Å; V153-Q219 HydrophobicContact CG1-CB 3.72Å; V153-Q219 WeakPolarHBondContact CG1-O 3.4Å; T154-Q219 PolarHBondContact OG1-OE1 3.49Å; G215-Q219 WeakPolarHBondContact O-CG 3.37Å; G215-Q219 PolarHBondContact O-N 2.74Å; L216-Q219 PolarHBondContact O-N 3.37Å; Q219-K222 PolarHBondContact O-N 3.37Å; Q219-L223 WeakPolarHBondContact O-CB 3.47Å; Q219-L223 PolarHBondContact O-N 3.42Å |
| 220 | L | 90.4 | Very high | 85 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.1 | -42.2 | 177 | -75.6 | 171.1 | 0 | 0 | 0 | 112.4 | V153 L197 L198 L216 L217 M218 L223 T224 | V153-L220 HydrophobicContact CB-CD2 4.42Å; V153-L220 HydrophobicContact CG1-CD2 3.89Å; V153-L220 HydrophobicContact CG1-CG 4.19Å; V153-L220 HydrophobicContact CG2-CD2 3.55Å; V153-L220 HydrophobicContact CG2-CG 4.2Å; L197-L220 HydrophobicContact CB-CD1 3.95Å; L197-L220 HydrophobicContact CB-CD2 3.61Å; L197-L220 HydrophobicContact CB-CG 4.47Å; L197-L220 HydrophobicContact CD1-CD2 3.82Å; L197-L220 HydrophobicContact CG-CD2 4.39Å; L198-L220 HydrophobicContact CD2-CB 3.55Å; L198-L220 HydrophobicContact CD2-CD1 4.18Å; L198-L220 HydrophobicContact CD2-CG 4.5Å; L198-L220 HydrophobicContact CG-CB 3.86Å; L198-L220 HydrophobicContact CG-CD1 4.42Å; L216-L220 HydrophobicContact CD1-CD1 4.11Å; L216-L220 HydrophobicContact CD1-CG 4.2Å; L216-L220 HydrophobicContact CG-CD1 3.94Å; L216-L220 HydrophobicContact CG-CG 4.46Å; L216-L220 WeakPolarHBondContact O-CG 3.31Å; L216-L220 PolarHBondContact O-N 3.31Å; L217-L220 PolarHBondContact O-N 3.15Å; M218-L220 VanDerWaalsContact C-N 3.33Å; L220-L223 PolarHBondContact O-N 3.01Å; L220-T224 WeakPolarHBondContact O-CB 3.36Å; L220-T224 PolarHBondContact O-N 3.48Å; L220-T224 PolarHBondContact O-OG1 2.98Å |
| 221 | L | 90.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63 | -43.7 | 173.3 | -73.5 | 173 | 0 | 0 | 0 | 111.1 | L198 L217 L223 T224 H225 F266 L269 L280 V281 | L198-L221 HydrophobicContact CD1-CD2 4.23Å; L198-L221 HydrophobicContact CD2-CD2 4.21Å; L198-L221 HydrophobicContact CD2-CG 4.22Å; L217-L221 HydrophobicContact CD2-CD1 3.68Å; L217-L221 HydrophobicContact CD2-CG 4.35Å; L217-L221 WeakPolarHBondContact O-CG 3.01Å; L217-L221 PolarHBondContact O-N 3.26Å; L221-L223 PolarHBondContact O-N 3.36Å; L221-T224 PolarHBondContact O-N 3.16Å; L221-H225 WeakPolarHBondContact O-CB 3.44Å; L221-H225 PolarHBondContact O-N 3.32Å; L221-F266 HydrophobicContact CD2-CD1 4.47Å; L221-F266 HydrophobicContact CD2-CE1 4.28Å; L221-L269 HydrophobicContact CD2-CD1 4.46Å; L221-L280 HydrophobicContact CB-CB 4.22Å; L221-L280 HydrophobicContact CD1-CB 4.41Å; L221-V281 HydrophobicContact CD1-CG2 3.53Å; L221-V281 HydrophobicContact CD2-CG2 3.97Å; L221-V281 HydrophobicContact CG-CG2 4.42Å |
| 222 | K | 91.5 | Very high | 85.9 | Confident | 94 Ų | 94 | 27.2 Ų | 27.2 | 41% | 0.409 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 175.5 | -171.2 | 177.3 | -179.8 | 177.4 | 0 | 112.3 | M218 Q219 H225 N226 | M218-K222 WeakPolarHBondContact O-CB 3.26Å; M218-K222 PolarHBondContact O-N 3.23Å; Q219-K222 PolarHBondContact O-N 3.37Å; K222-H225 PolarHBondContact O-N 3.02Å; K222-N226 WeakPolarHBondContact O-CB 3.3Å; K222-N226 PolarHBondContact O-N 3.25Å; K222-N226 PolarHBondContact O-OD1 2.97Å |
| 223 | L | 93.7 | Very high | 85.7 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.5 | -48.7 | 174.3 | 174.3 | 58.3 | 0 | 0 | 0 | 111.1 | V153 L156 I190 Q219 L220 L221 N226 C227 | V153-L223 HydrophobicContact CG1-CB 4.01Å; V153-L223 HydrophobicContact CG1-CD2 3.95Å; L156-L223 HydrophobicContact CB-CD1 3.78Å; L156-L223 HydrophobicContact CB-CD2 4.08Å; L156-L223 HydrophobicContact CD1-CD2 4.35Å; I190-L223 HydrophobicContact CG2-CD1 3.64Å; I190-L223 HydrophobicContact CG2-CD2 4.27Å; I190-L223 HydrophobicContact CG2-CG 4.23Å; Q219-L223 WeakPolarHBondContact O-CB 3.47Å; Q219-L223 PolarHBondContact O-N 3.42Å; L220-L223 PolarHBondContact O-N 3.01Å; L221-L223 PolarHBondContact O-N 3.36Å; L223-N226 PolarHBondContact O-N 3.32Å; L223-C227 PolarHBondContact O-N 3.3Å; L223-C227 PolarHBondContact O-SG 3.08Å |
| 224 | T | 93.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | -179.1 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | F191 S194 L198 L220 L221 N226 C227 L228 F266 | F191-T224 HydrophobicContact CD2-CG2 4.2Å; F191-T224 HydrophobicContact CE2-CG2 3.88Å; S194-T224 WeakPolarHBondContact CB-OG1 3.28Å; S194-T224 PolarHBondContact OG-OG1 3.04Å; L198-T224 WeakPolarHBondContact CD1-OG1 3.26Å; L220-T224 WeakPolarHBondContact O-CB 3.36Å; L220-T224 PolarHBondContact O-N 3.48Å; L220-T224 PolarHBondContact O-OG1 2.98Å; L221-T224 PolarHBondContact O-N 3.16Å; T224-N226 PolarHBondContact O-N 3.32Å; T224-C227 WeakPolarHBondContact O-CB 3.46Å; T224-C227 PolarHBondContact O-N 3.36Å; T224-C227 VanDerWaalsContact O-N 3.16Å; T224-L228 HydrophobicContact CG2-CD1 4.2Å; T224-L228 WeakPolarHBondContact O-CG 3.45Å; T224-L228 PolarHBondContact O-N 3.13Å; T224-F266 HydrophobicContact CG2-CE1 4.02Å; T224-F266 HydrophobicContact CG2-CZ 3.69Å |
| 225 | H | 92.1 | Very high | 84.2 | Confident | 31 Ų | 31 | 27.1 Ų | 27.1 | 14% | 0.144 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 176.3 | -174.3 | 64.7 | 0 | 0 | 0 | 111.8 | L221 K222 C227 L228 N229 | L221-H225 WeakPolarHBondContact O-CB 3.44Å; L221-H225 PolarHBondContact O-N 3.32Å; K222-H225 PolarHBondContact O-N 3.02Å; H225-C227 PolarHBondContact O-N 2.83Å; H225-L228 PolarHBondContact O-N 3.31Å; H225-L228 VanDerWaalsContact O-N 3.14Å; H225-N229 VanDerWaalsContact O-CB 3.3Å; H225-N229 WeakPolarHBondContact O-CB 3.46Å; H225-N229 PolarHBondContact O-N 3.29Å |
| 226 | N | 92.8 | Very high | 82.8 | Confident | 25 Ų | 25 | 31.2 Ų | 31.2 | 13% | 0.134 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.7 | -33.5 | 176.6 | -71.7 | -2.1 | 0 | 0 | 0 | 112.5 | S157 T160 K222 L223 T224 F230 | S157-N226 PolarHBondContact O-ND2 2.82Å; S157-N226 PolarHBondContact OG-ND2 3.26Å; T160-N226 HydrophobicContact CG2-CB 4.06Å; K222-N226 WeakPolarHBondContact O-CB 3.3Å; K222-N226 PolarHBondContact O-N 3.25Å; K222-N226 PolarHBondContact O-OD1 2.97Å; L223-N226 PolarHBondContact O-N 3.32Å; T224-N226 PolarHBondContact O-N 3.32Å; N226-F230 PolarHBondContact O-N 3.06Å |
| 227 | C | 93.1 | Very high | 80.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.1 | -40 | 175.7 | -63.3 | 0 | 0 | 0 | 0 | 112 | L187 F191 L223 T224 H225 F230 W253 | L187-C227 HydrophobicContact CD1-CB 4.17Å; F191-C227 HydrophobicContact CB-CB 4.08Å; F191-C227 HydrophobicContact CD2-CB 4.12Å; L223-C227 PolarHBondContact O-N 3.3Å; L223-C227 PolarHBondContact O-SG 3.08Å; T224-C227 WeakPolarHBondContact O-CB 3.46Å; T224-C227 PolarHBondContact O-N 3.36Å; T224-C227 VanDerWaalsContact O-N 3.16Å; H225-C227 PolarHBondContact O-N 2.83Å; C227-F230 WeakPolarHBondContact O-CB 3.33Å; C227-W253 HydrophobicContact CB-CH2 4.42Å |
| 228 | L | 90.3 | Very high | 78.8 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.2 | -31 | 178.6 | -68.2 | 170.6 | 0 | 0 | 0 | 112.8 | F191 T224 H225 F230 I249 F257 C284 Q287 I288 | F191-L228 HydrophobicContact CD2-CD2 4.41Å; F191-L228 HydrophobicContact CD2-CG 4.46Å; F191-L228 HydrophobicContact CE2-CD1 4.36Å; F191-L228 HydrophobicContact CE2-CD2 3.77Å; F191-L228 HydrophobicContact CE2-CG 3.98Å; F191-L228 HydrophobicContact CZ-CD2 4.24Å; T224-L228 HydrophobicContact CG2-CD1 4.2Å; T224-L228 WeakPolarHBondContact O-CG 3.45Å; T224-L228 PolarHBondContact O-N 3.13Å; H225-L228 PolarHBondContact O-N 3.31Å; H225-L228 VanDerWaalsContact O-N 3.14Å; L228-F230 VanDerWaalsContact C-N 3.28Å; L228-I249 HydrophobicContact CD2-CD1 4.37Å; L228-F257 HydrophobicContact CD2-CE1 4.18Å; L228-F257 HydrophobicContact CD2-CZ 3.8Å; L228-C284 HydrophobicContact CD1-CB 4.22Å; L228-Q287 HydrophobicContact CB-CB 3.74Å; L228-Q287 HydrophobicContact CB-CG 4.21Å; L228-Q287 HydrophobicContact CD1-CB 4.28Å; L228-I288 HydrophobicContact CD1-CD1 4.27Å; L228-I288 HydrophobicContact CD1-CG1 3.87Å; L228-I288 HydrophobicContact CD2-CG1 4.44Å |
| 229 | N | 89.4 | Confident | 76.6 | Confident | 63 Ų | 63 | 45 Ų | 45 | 34% | 0.337 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 11.3 | 178.8 | -158.1 | 40.4 | 0 | 0 | 0 | 113.3 | N164 H225 Q287 | N164-N229 PolarHBondContact ND2-O 3.14Å; H225-N229 VanDerWaalsContact O-CB 3.3Å; H225-N229 WeakPolarHBondContact O-CB 3.46Å; H225-N229 PolarHBondContact O-N 3.29Å; N229-Q287 PolarHBondContact OD1-NE2 3.05Å; N229-Q287 VanDerWaalsContact OD1-NE2 3.12Å |
| 230 | F | 88.7 | Confident | 74.2 | Confident | 7 Ų | 7 | 47 Ų | 47 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -68 | 140.4 | 178.2 | -165.7 | -89.5 | 0 | 0 | 0 | 110.7 | T160 I163 N164 A179 F182 R183 L187 N226 C227 L228 F232 | T160-F230 HydrophobicContact CG2-CD2 4.07Å; I163-F230 HydrophobicContact CG2-CE2 4.12Å; I163-F230 HydrophobicContact CG2-CZ 4.11Å; N164-F230 HydrophobicContact CB-CD2 3.79Å; N164-F230 HydrophobicContact CB-CE2 3.77Å; A179-F230 HydrophobicContact CB-CE1 4.44Å; A179-F230 HydrophobicContact CB-CZ 4.02Å; F182-F230 AromaticContact CD1-CE2 3.76Å; F182-F230 HydrophobicContact CD1-CE2 3.76Å; F182-F230 AromaticContact CD1-CZ 3.95Å; F182-F230 HydrophobicContact CD1-CZ 3.95Å; F182-F230 HydrophobicContact CE1-CE2 4.04Å; R183-F230 HydrophobicContact CB-CE1 3.99Å; R183-F230 HydrophobicContact CG-CE1 4.5Å; L187-F230 HydrophobicContact CD1-CD2 4.28Å; L187-F230 HydrophobicContact CD2-CB 3.77Å; L187-F230 HydrophobicContact CD2-CD1 3.69Å; L187-F230 HydrophobicContact CD2-CD2 4Å; L187-F230 HydrophobicContact CD2-CE1 4.28Å; L187-F230 HydrophobicContact CD2-CG 3.53Å; N226-F230 PolarHBondContact O-N 3.06Å; C227-F230 WeakPolarHBondContact O-CB 3.33Å; L228-F230 VanDerWaalsContact C-N 3.28Å; F230-F232 HydrophobicContact CB-CE2 4.3Å; F230-F232 HydrophobicContact CB-CZ 4.18Å; F230-F232 HydrophobicContact CD1-CD1 4.47Å; F230-F232 WeakPolarHBondContact O-CD2 3.4Å; F230-F232 VanDerWaalsContact O-CE2 3.31Å; F230-F232 WeakPolarHBondContact O-CE2 3.21Å; F230-F232 PolarHBondContact O-N 3.11Å |
| 231 | D | 81.6 | Confident | 71.8 | Confident | 38 Ų | 38 | 49.7 Ų | 49.7 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | trans | -74.7 | 92.7 | 175 | 179.4 | 7.6 | 0 | 0 | 0 | 109.9 | N164 I233 G234 T235 S236 | N164-D231 WeakPolarHBondContact OD1-CB 3.42Å; N164-D231 PolarHBondContact OD1-N 3.16Å; D231-I233 PolarHBondContact O-N 3.23Å; D231-I233 PolarHBondContact OD1-N 2.94Å; D231-G234 VanDerWaalsContact CG-N 3.29Å; D231-G234 PolarHBondContact OD1-N 3.49Å; D231-G234 WeakPolarHBondContact OD2-CA 3.26Å; D231-G234 PolarHBondContact OD2-N 2.72Å; D231-T235 PolarHBondContact OD1-N 3.3Å; D231-T235 PolarHBondContact OD2-N 3.42Å; D231-T235 VanDerWaalsContact OD2-O 3.1Å; D231-S236 PolarHBondContact OD2-N 3.18Å | ||
| 232 | F | 76.8 | Confident | 69.4 | Low | 11 Ų | 11 | 54.8 Ų | 54.8 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -70.4 | -14.9 | -179.6 | -64.1 | -79.5 | 0 | 0 | 0 | 113.7 | R183 L187 F230 V247 Q248 I249 P250 W253 | R183-F232 HydrophobicContact CG-CD1 3.81Å; R183-F232 HydrophobicContact CG-CE1 4.29Å; R183-F232 PolarHBondContact NH1-O 3.26Å; L187-F232 HydrophobicContact CD2-CE1 3.83Å; L187-F232 HydrophobicContact CD2-CZ 4.33Å; F230-F232 HydrophobicContact CB-CE2 4.3Å; F230-F232 HydrophobicContact CB-CZ 4.18Å; F230-F232 HydrophobicContact CD1-CD1 4.47Å; F230-F232 WeakPolarHBondContact O-CD2 3.4Å; F230-F232 VanDerWaalsContact O-CE2 3.31Å; F230-F232 WeakPolarHBondContact O-CE2 3.21Å; F230-F232 PolarHBondContact O-N 3.11Å; F232-V247 HydrophobicContact CD2-CG1 3.88Å; F232-V247 HydrophobicContact CE2-CG1 3.73Å; F232-Q248 WeakPolarHBondContact CB-O 3.21Å; F232-I249 HydrophobicContact CD2-CG1 4.48Å; F232-I249 HydrophobicContact CE2-CG1 4.01Å; F232-I249 HydrophobicContact CZ-CG1 4.21Å; F232-P250 HydrophobicContact CD1-CG 3.96Å; F232-P250 HydrophobicContact CE1-CG 4.37Å; F232-W253 HydrophobicContact CE1-CH2 4.37Å; F232-W253 HydrophobicContact CE1-CZ2 4.18Å; F232-W253 HydrophobicContact CZ-CH2 4.27Å; F232-W253 HydrophobicContact CZ-CZ3 4.47Å |
| 233 | I | 67.8 | Low | 67.4 | Low | 79 Ų | 79 | 56.2 Ų | 56.2 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -111.8 | -21.3 | -169.9 | -50.2 | 164.8 | 0 | 0 | 0 | 111.8 | D231 T235 Q248 | D231-I233 PolarHBondContact O-N 3.23Å; D231-I233 PolarHBondContact OD1-N 2.94Å; I233-T235 VanDerWaalsContact C-N 3.33Å; I233-T235 HydrophobicContact CG2-CG2 4.2Å; I233-Q248 HydrophobicContact CD1-CB 3.77Å; I233-Q248 HydrophobicContact CD1-CG 3.56Å; I233-Q248 VanDerWaalsContact CD1-NE2 3.25Å; I233-Q248 HydrophobicContact CG1-CB 3.81Å; I233-Q248 HydrophobicContact CG1-CG 4.15Å |
| 234 | G | 60.4 | Low | 65.6 | Low | 17 Ų | 17 | 57.5 Ų | 57.5 | 18% | 0.175 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 82.2 | 14.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R176 D231 | R176-G234 VanDerWaalsContact CZ-O 3.3Å; R176-G234 PolarHBondContact NE-O 3.01Å; R176-G234 PolarHBondContact NH2-O 3Å; R176-G234 VanDerWaalsContact NH2-O 3.11Å; D231-G234 VanDerWaalsContact CG-N 3.29Å; D231-G234 PolarHBondContact OD1-N 3.49Å; D231-G234 WeakPolarHBondContact OD2-CA 3.26Å; D231-G234 PolarHBondContact OD2-N 2.72Å |
| 235 | T | 55.5 | Low | 64 | Low | 58 Ų | 58 | 60.5 Ų | 60.5 | 36% | 0.356 | 35% | 0.349 | S | S | . | . | trans | -98.8 | 105.5 | 168.6 | 52.9 | 0 | 0 | 0 | 0 | 106.5 | D231 I233 T237 | D231-T235 PolarHBondContact OD1-N 3.3Å; D231-T235 PolarHBondContact OD2-N 3.42Å; D231-T235 VanDerWaalsContact OD2-O 3.1Å; I233-T235 VanDerWaalsContact C-N 3.33Å; I233-T235 HydrophobicContact CG2-CG2 4.2Å; T235-T237 PolarHBondContact O-N 3.28Å | ||
| 236 | S | 49.9 | Very low | 63 | Low | 110 Ų | 110 | 61.4 Ų | 61.4 | 77% | 0.769 | 36% | 0.357 | S | S | * | . | trans | -54.6 | 97.3 | 167 | 53.6 | 0 | 0 | 0 | 0 | 107.3 | D231 D238 | D231-S236 PolarHBondContact OD2-N 3.18Å; S236-D238 PolarHBondContact O-N 3.39Å; S236-D238 VanDerWaalsContact O-N 3.15Å | ||
| 237 | T | 43.6 | Very low | 62.3 | Low | 82 Ų | 82 | 61 Ų | 61 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | trans | -68 | 115.6 | -179.8 | 44.5 | 0 | 0 | 0 | 0 | 105.7 | T235 E239 | T235-T237 PolarHBondContact O-N 3.28Å; T237-E239 PolarHBondContact O-N 2.92Å; T237-E239 VanDerWaalsContact O-N 3.08Å | ||
| 238 | D | 41.4 | Very low | 61.5 | Low | 99 Ų | 99 | 65 Ų | 65 | 53% | 0.529 | 37% | 0.374 | S | S | . | . | trans | -62.7 | 110.8 | 171.3 | -170.5 | -9.5 | 0 | 0 | 0 | 107.2 | S236 S240 S241 | S236-D238 PolarHBondContact O-N 3.39Å; S236-D238 VanDerWaalsContact O-N 3.15Å; D238-S240 PolarHBondContact O-N 3Å; D238-S240 VanDerWaalsContact O-N 3.08Å; D238-S240 WeakPolarHBondContact OD1-CB 3.39Å; D238-S240 PolarHBondContact OD1-N 3.04Å; D238-S240 PolarHBondContact OD1-OG 3.13Å; D238-S240 PolarHBondContact OD2-OG 3.48Å; D238-S240 VanDerWaalsContact OD2-OG 3.09Å; D238-S241 WeakPolarHBondContact O-CB 3.46Å; D238-S241 PolarHBondContact O-N 3.43Å; D238-S241 PolarHBondContact O-OG 2.99Å | ||
| 239 | E | 37.1 | Very low | 61.2 | Low | 176 Ų | 176 | 65.7 Ų | 65.7 | 82% | 0.822 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.7 | 177.7 | -69.4 | -171.5 | 159.1 | 0 | 0 | 111.7 | T237 | T237-E239 PolarHBondContact O-N 2.92Å; T237-E239 VanDerWaalsContact O-N 3.08Å |
| 240 | S | 38.3 | Very low | 60.9 | Low | 95 Ų | 95 | 63.9 Ų | 63.9 | 66% | 0.664 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -3.9 | 174.7 | 75.8 | 0 | 0 | 0 | 0 | 114.7 | D238 | D238-S240 PolarHBondContact O-N 3Å; D238-S240 VanDerWaalsContact O-N 3.08Å; D238-S240 WeakPolarHBondContact OD1-CB 3.39Å; D238-S240 PolarHBondContact OD1-N 3.04Å; D238-S240 PolarHBondContact OD1-OG 3.13Å; D238-S240 PolarHBondContact OD2-OG 3.48Å; D238-S240 VanDerWaalsContact OD2-OG 3.09Å |
| 241 | S | 40 | Very low | 60.5 | Low | 56 Ų | 56 | 69.2 Ų | 69.2 | 39% | 0.392 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -79.2 | 129.3 | 177 | 63.1 | 0 | 0 | 0 | 0 | 111.8 | D238 D243 | D238-S241 WeakPolarHBondContact O-CB 3.46Å; D238-S241 PolarHBondContact O-N 3.43Å; D238-S241 PolarHBondContact O-OG 2.99Å; S241-D243 PolarHBondContact O-N 3.08Å |
| 242 | D | 40.7 | Very low | 60.6 | Low | 108 Ų | 108 | 71 Ų | 71 | 58% | 0.578 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -59.2 | -13 | -177.4 | -87 | -37.1 | 0 | 0 | 0 | 114.5 | L244 Q442 | D242-L244 PolarHBondContact O-N 3.5Å; D242-Q442 PolarHBondContact OD1-NE2 3.23Å |
| 243 | D | 48.2 | Very low | 61.2 | Low | 124 Ų | 124 | 70.5 Ų | 70.5 | 66% | 0.663 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -80 | 100.4 | 176.6 | -81.3 | -26.4 | 0 | 0 | 0 | 110.3 | S241 C245 | S241-D243 PolarHBondContact O-N 3.08Å; D243-C245 PolarHBondContact O-N 2.9Å; D243-C245 PolarHBondContact O-SG 3.41Å |
| 244 | L | 56.2 | Low | 62 | Low | 27 Ų | 27 | 70.3 Ų | 70.3 | 14% | 0.141 | 41% | 0.41 | C | S | . | . | trans | -56.8 | 82.4 | 165 | -86.6 | 83.6 | 0 | 0 | 0 | 109.4 | D242 A336 R337 | D242-L244 PolarHBondContact O-N 3.5Å; L244-A336 HydrophobicContact CD2-CB 3.93Å; L244-R337 PolarHBondContact O-NH1 2.84Å | ||
| 245 | C | 59.5 | Low | 63.3 | Low | 64 Ų | 64 | 73.1 Ų | 73.1 | 43% | 0.432 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 140.7 | -175.1 | -74.9 | 0 | 0 | 0 | 0 | 111.2 | D243 R337 | D243-C245 PolarHBondContact O-N 2.9Å; D243-C245 PolarHBondContact O-SG 3.41Å; C245-R337 PolarHBondContact O-NH1 2.83Å |
| 246 | T | 71.5 | Confident | 64.8 | Low | 49 Ų | 49 | 71.1 Ų | 71.1 | 30% | 0.301 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -76 | 139.7 | 169.3 | 57.6 | 0 | 0 | 0 | 0 | 109.8 | Q248 S290 | T246-Q248 PolarHBondContact O-N 2.64Å; T246-S290 CarbonylContact C-O 3.56Å; T246-S290 WeakPolarHBondContact CA-O 3.39Å |
| 247 | V | 78.2 | Confident | 66.6 | Low | 18 Ų | 18 | 66.2 Ų | 66.2 | 11% | 0.109 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -76 | 119.4 | 175.6 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | F232 I249 S290 R292 | F232-V247 HydrophobicContact CD2-CG1 3.88Å; F232-V247 HydrophobicContact CE2-CG1 3.73Å; V247-I249 HydrophobicContact CB-CG1 4.46Å; V247-I249 HydrophobicContact CG1-CD1 4.19Å; V247-I249 HydrophobicContact CG1-CG1 3.6Å; V247-I249 PolarHBondContact O-N 3.37Å; V247-S290 PolarHBondContact N-O 3.36Å; V247-R292 PolarHBondContact O-N 3.44Å |
| 248 | Q | 77.4 | Confident | 68.5 | Low | 83 Ų | 83 | 65.7 Ų | 65.7 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | trans | -93.4 | 67.4 | -177.3 | -65.3 | -165.9 | 33 | 0 | 0 | 112 | F232 I233 T246 | F232-Q248 WeakPolarHBondContact CB-O 3.21Å; I233-Q248 HydrophobicContact CD1-CB 3.77Å; I233-Q248 HydrophobicContact CD1-CG 3.56Å; I233-Q248 VanDerWaalsContact CD1-NE2 3.25Å; I233-Q248 HydrophobicContact CG1-CB 3.81Å; I233-Q248 HydrophobicContact CG1-CG 4.15Å; T246-Q248 PolarHBondContact O-N 2.64Å | ||
| 249 | I | 83.2 | Confident | 70.5 | Confident | 15 Ų | 15 | 64.2 Ų | 64.2 | 8% | 0.077 | 37% | 0.367 | C | S | . | . | trans | -64.4 | 138.2 | 178.3 | -55.1 | -168.4 | 0 | 0 | 0 | 110.7 | L228 F232 V247 W253 F257 V291 | L228-I249 HydrophobicContact CD2-CD1 4.37Å; F232-I249 HydrophobicContact CD2-CG1 4.48Å; F232-I249 HydrophobicContact CE2-CG1 4.01Å; F232-I249 HydrophobicContact CZ-CG1 4.21Å; V247-I249 HydrophobicContact CB-CG1 4.46Å; V247-I249 HydrophobicContact CG1-CD1 4.19Å; V247-I249 HydrophobicContact CG1-CG1 3.6Å; V247-I249 PolarHBondContact O-N 3.37Å; I249-W253 HydrophobicContact CG2-CB 3.45Å; I249-W253 VanDerWaalsContact CG2-CB 3.45Å; I249-W253 HydrophobicContact CG2-CD2 3.61Å; I249-W253 HydrophobicContact CG2-CE3 3.77Å; I249-W253 HydrophobicContact CG2-CG 3.51Å; I249-F257 HydrophobicContact CD1-CD2 4.48Å; I249-F257 HydrophobicContact CD1-CE1 4.09Å; I249-F257 HydrophobicContact CD1-CE2 3.47Å; I249-F257 VanDerWaalsContact CD1-CE2 3.47Å; I249-F257 HydrophobicContact CD1-CZ 3.23Å; I249-F257 HydrophobicContact CG2-CE2 4.07Å; I249-V291 HydrophobicContact CD1-CG1 4.31Å; I249-V291 HydrophobicContact CD1-CG2 3.49Å; I249-V291 VanDerWaalsContact CD1-CG2 3.49Å; I249-V291 HydrophobicContact CG1-CG1 4.5Å; I249-V291 HydrophobicContact CG1-CG2 4.22Å | ||
| 250 | P | 82.3 | Confident | 72.6 | Confident | 25 Ų | 25 | 59 Ų | 59 | 16% | 0.162 | 35% | 0.35 | C | S | . | . | trans | -55.5 | 148.3 | 172.9 | -26.9 | 34.6 | 0 | 0 | 0 | 113.5 | R183 F232 S252 W253 | R183-P250 HydrophobicContact CG-CG 4.12Å; F232-P250 HydrophobicContact CD1-CG 3.96Å; F232-P250 HydrophobicContact CE1-CG 4.37Å; P250-S252 PolarHBondContact O-N 2.62Å; P250-S252 VanDerWaalsContact O-N 3.16Å; P250-W253 PolarHBondContact O-N 2.76Å; P250-W253 VanDerWaalsContact O-N 3.08Å | ||
| 251 | T | 81.8 | Confident | 74.8 | Confident | 120 Ų | 120 | 56.4 Ų | 56.4 | 74% | 0.736 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -62 | -24 | 179.7 | 47.6 | 0 | 0 | 0 | 0 | 113.6 | W253 R254 | T251-W253 PolarHBondContact O-N 2.76Å; T251-R254 WeakPolarHBondContact O-CB 3.46Å; T251-R254 PolarHBondContact O-N 3.15Å; T251-R254 VanDerWaalsContact O-N 3.15Å |
| 252 | S | 83.3 | Confident | 76.9 | Confident | 76 Ų | 76 | 54.3 Ų | 54.3 | 53% | 0.531 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -61.1 | -26.1 | 174.9 | 48.2 | 0 | 0 | 0 | 0 | 113.2 | P250 R254 | P250-S252 PolarHBondContact O-N 2.62Å; P250-S252 VanDerWaalsContact O-N 3.16Å; S252-R254 VanDerWaalsContact C-N 3.32Å |
| 253 | W | 88.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -85.1 | -6.3 | -179.8 | -65.1 | 38.4 | 0 | 0 | 0 | 113 | L187 F188 F191 C227 F232 I249 P250 T251 S255 A256 F257 | L187-W253 HydrophobicContact CB-CZ2 4.07Å; L187-W253 HydrophobicContact CD2-CH2 4.13Å; L187-W253 HydrophobicContact CD2-CZ2 3.89Å; L187-W253 HydrophobicContact CG-CH2 3.82Å; L187-W253 HydrophobicContact CG-CZ2 3.63Å; F188-W253 VanDerWaalsContact CA-CZ2 3.49Å; F188-W253 HydrophobicContact CB-CD2 4.45Å; F188-W253 HydrophobicContact CB-CZ2 4.02Å; F188-W253 HydrophobicContact CD2-CB 4.01Å; F188-W253 AromaticContact CD2-CD1 3.45Å; F188-W253 VanDerWaalsContact CD2-CD1 3.45Å; F188-W253 AromaticContact CD2-CD2 3.39Å; F188-W253 HydrophobicContact CD2-CD2 3.39Å; F188-W253 AromaticContact CD2-CE2 3.54Å; F188-W253 HydrophobicContact CD2-CE3 4.02Å; F188-W253 AromaticContact CD2-CG 3.35Å; F188-W253 HydrophobicContact CD2-CG 3.35Å; F188-W253 HydrophobicContact CD2-CZ2 4.26Å; F188-W253 AromaticContact CD2-NE1 3.58Å; F188-W253 HydrophobicContact CE2-CB 3.86Å; F188-W253 HydrophobicContact CE2-CD2 4.06Å; F188-W253 AromaticContact CE2-CG 3.75Å; F188-W253 HydrophobicContact CE2-CG 3.75Å; F188-W253 AromaticContact CG-CD1 3.77Å; F188-W253 HydrophobicContact CG-CD2 4.29Å; F188-W253 HydrophobicContact CG-CG 4.15Å; F188-W253 AromaticContact CG-NE1 3.71Å; F191-W253 HydrophobicContact CB-CH2 3.72Å; F191-W253 HydrophobicContact CB-CZ3 3.75Å; F191-W253 AromaticContact CD1-CE3 3.92Å; F191-W253 HydrophobicContact CD1-CE3 3.92Å; F191-W253 AromaticContact CD1-CZ3 3.74Å; F191-W253 HydrophobicContact CD1-CZ3 3.74Å; F191-W253 HydrophobicContact CD2-CZ3 4.01Å; F191-W253 HydrophobicContact CE1-CE3 4.31Å; F191-W253 HydrophobicContact CE1-CZ3 4.35Å; F191-W253 HydrophobicContact CG-CE3 4.21Å; F191-W253 HydrophobicContact CG-CH2 4.05Å; F191-W253 AromaticContact CG-CZ3 3.54Å; F191-W253 HydrophobicContact CG-CZ3 3.54Å; C227-W253 HydrophobicContact CB-CH2 4.42Å; F232-W253 HydrophobicContact CE1-CH2 4.37Å; F232-W253 HydrophobicContact CE1-CZ2 4.18Å; F232-W253 HydrophobicContact CZ-CH2 4.27Å; F232-W253 HydrophobicContact CZ-CZ3 4.47Å; I249-W253 HydrophobicContact CG2-CB 3.45Å; I249-W253 VanDerWaalsContact CG2-CB 3.45Å; I249-W253 HydrophobicContact CG2-CD2 3.61Å; I249-W253 HydrophobicContact CG2-CE3 3.77Å; I249-W253 HydrophobicContact CG2-CG 3.51Å; P250-W253 PolarHBondContact O-N 2.76Å; P250-W253 VanDerWaalsContact O-N 3.08Å; T251-W253 PolarHBondContact O-N 2.76Å; W253-S255 PolarHBondContact O-N 2.95Å; W253-S255 VanDerWaalsContact O-N 3.1Å; W253-A256 WeakPolarHBondContact O-CB 3.44Å; W253-A256 PolarHBondContact O-N 3.11Å; W253-F257 HydrophobicContact CB-CD2 4.4Å; W253-F257 HydrophobicContact CB-CE2 4.07Å; W253-F257 HydrophobicContact CE3-CE2 4.03Å; W253-F257 HydrophobicContact CE3-CZ 4.4Å; W253-F257 WeakPolarHBondContact O-CD2 3.3Å |
| 254 | R | 85.8 | Confident | 81.2 | Confident | 74 Ų | 74 | 46.1 Ų | 46.1 | 28% | 0.279 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -51.5 | -39 | -172.9 | 177.5 | 178.2 | 162.1 | 119.2 | -8.3 | 112.9 | T251 S252 A256 F257 L258 L295 E300 | T251-R254 WeakPolarHBondContact O-CB 3.46Å; T251-R254 PolarHBondContact O-N 3.15Å; T251-R254 VanDerWaalsContact O-N 3.15Å; S252-R254 VanDerWaalsContact C-N 3.32Å; R254-A256 VanDerWaalsContact C-N 3.3Å; R254-A256 PolarHBondContact O-N 3.34Å; R254-F257 PolarHBondContact O-N 3.11Å; R254-L258 HydrophobicContact CG-CD1 3.87Å; R254-L258 HydrophobicContact CG-CG 4.23Å; R254-L258 WeakPolarHBondContact O-CG 3.4Å; R254-L258 PolarHBondContact O-N 3.48Å; R254-L258 VanDerWaalsContact O-N 3.12Å; R254-L295 HydrophobicContact CB-CD1 4.01Å; R254-L295 HydrophobicContact CB-CG 4.33Å; R254-L295 WeakPolarHBondContact CD-O 3.28Å; R254-L295 HydrophobicContact CG-CD1 4.47Å; R254-L295 HydrophobicContact CG-CG 4.41Å; R254-L295 PolarHBondContact NH1-O 3.34Å; R254-E300 IonicContact CZ-OE1 3.74Å; R254-E300 IonicContact CZ-OE2 3.14Å; R254-E300 IonicContact NE-OE2 3.95Å; R254-E300 IonicContact NH1-OE2 3.5Å; R254-E300 PolarHBondContact NH1-OE2 3.14Å; R254-E300 IonicContact NH2-OE1 3.34Å; R254-E300 PolarHBondContact NH2-OE1 2.98Å; R254-E300 IonicContact NH2-OE2 2.66Å; R254-E300 PolarHBondContact NH2-OE2 3.34Å |
| 255 | S | 87.7 | Confident | 82.8 | Confident | 77 Ų | 77 | 45.5 Ų | 45.5 | 54% | 0.538 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.8 | -37.8 | 179.2 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | W253 F257 L258 D259 | W253-S255 PolarHBondContact O-N 2.95Å; W253-S255 VanDerWaalsContact O-N 3.1Å; S255-F257 VanDerWaalsContact C-N 3.33Å; S255-F257 PolarHBondContact O-N 3.46Å; S255-L258 PolarHBondContact O-N 3.31Å; S255-D259 PolarHBondContact O-N 3.19Å |
| 256 | A | 86.8 | Confident | 84.3 | Confident | 16 Ų | 16 | 42.5 Ų | 42.5 | 13% | 0.132 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.5 | -30.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F188 F191 W253 R254 T262 | F188-A256 HydrophobicContact CE2-CB 4.02Å; F188-A256 HydrophobicContact CZ-CB 4.37Å; F191-A256 HydrophobicContact CE1-CB 4Å; W253-A256 WeakPolarHBondContact O-CB 3.44Å; W253-A256 PolarHBondContact O-N 3.11Å; R254-A256 VanDerWaalsContact C-N 3.3Å; R254-A256 PolarHBondContact O-N 3.34Å; A256-T262 VanDerWaalsContact O-CB 3.3Å; A256-T262 WeakPolarHBondContact O-CB 3.42Å; A256-T262 PolarHBondContact O-OG1 3.3Å |
| 257 | F | 86.8 | Confident | 85.2 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -90.7 | -17.3 | 178 | -64.7 | -82.7 | 0 | 0 | 0 | 113.7 | F191 L228 I249 W253 R254 S255 I288 V291 L295 F296 F304 | F191-F257 HydrophobicContact CZ-CZ 4.32Å; L228-F257 HydrophobicContact CD2-CE1 4.18Å; L228-F257 HydrophobicContact CD2-CZ 3.8Å; I249-F257 HydrophobicContact CD1-CD2 4.48Å; I249-F257 HydrophobicContact CD1-CE1 4.09Å; I249-F257 HydrophobicContact CD1-CE2 3.47Å; I249-F257 VanDerWaalsContact CD1-CE2 3.47Å; I249-F257 HydrophobicContact CD1-CZ 3.23Å; I249-F257 HydrophobicContact CG2-CE2 4.07Å; W253-F257 HydrophobicContact CB-CD2 4.4Å; W253-F257 HydrophobicContact CB-CE2 4.07Å; W253-F257 HydrophobicContact CE3-CE2 4.03Å; W253-F257 HydrophobicContact CE3-CZ 4.4Å; W253-F257 WeakPolarHBondContact O-CD2 3.3Å; R254-F257 PolarHBondContact O-N 3.11Å; S255-F257 VanDerWaalsContact C-N 3.33Å; S255-F257 PolarHBondContact O-N 3.46Å; F257-I288 HydrophobicContact CD1-CG2 4.27Å; F257-I288 HydrophobicContact CE1-CG1 4.17Å; F257-I288 HydrophobicContact CE1-CG2 4.33Å; F257-V291 HydrophobicContact CD1-CG2 4.23Å; F257-V291 HydrophobicContact CE1-CG2 3.88Å; F257-V291 HydrophobicContact CZ-CG2 4.24Å; F257-L295 HydrophobicContact CD2-CD2 4.28Å; F257-F296 HydrophobicContact CB-CE1 3.92Å; F257-F296 HydrophobicContact CB-CZ 3.93Å; F257-F304 WeakPolarHBondContact O-CD2 3.38Å |
| 258 | L | 83.9 | Confident | 85.7 | Confident | 70 Ų | 70 | 43 Ų | 43 | 37% | 0.366 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -79 | -25.6 | 171.3 | -73.4 | 178.7 | 0 | 0 | 0 | 112.6 | R254 S255 S260 F296 E300 | R254-L258 HydrophobicContact CG-CD1 3.87Å; R254-L258 HydrophobicContact CG-CG 4.23Å; R254-L258 WeakPolarHBondContact O-CG 3.4Å; R254-L258 PolarHBondContact O-N 3.48Å; R254-L258 VanDerWaalsContact O-N 3.12Å; S255-L258 PolarHBondContact O-N 3.31Å; L258-S260 PolarHBondContact O-N 2.83Å; L258-F296 HydrophobicContact CD2-CD1 3.76Å; L258-F296 HydrophobicContact CD2-CE1 4.12Å; L258-F296 HydrophobicContact CG-CD1 4.49Å; L258-E300 HydrophobicContact CD2-CB 3.62Å; L258-E300 HydrophobicContact CD2-CG 3.62Å |
| 259 | D | 84.1 | Confident | 86.2 | Confident | 69 Ų | 69 | 39.1 Ų | 39.1 | 37% | 0.369 | 23% | 0.23 | S | C | . | . | trans | -69.4 | 110.6 | 172.7 | -177.9 | 6.9 | 0 | 0 | 0 | 110.2 | K199 S255 S261 T262 | K199-D259 IonicContact NZ-OD2 3.96Å; S255-D259 PolarHBondContact O-N 3.19Å; D259-S261 PolarHBondContact O-N 3.23Å; D259-S261 VanDerWaalsContact O-N 3.13Å; D259-S261 VanDerWaalsContact OD1-CB 3.25Å; D259-S261 WeakPolarHBondContact OD1-CB 3.19Å; D259-S261 PolarHBondContact OD1-N 3.06Å; D259-S261 PolarHBondContact OD1-OG 3.4Å; D259-S261 PolarHBondContact OD2-OG 3.35Å; D259-T262 WeakPolarHBondContact O-CB 3.4Å; D259-T262 PolarHBondContact O-N 2.98Å; D259-T262 VanDerWaalsContact O-N 3.09Å | ||
| 260 | S | 80.1 | Confident | 86.4 | Confident | 65 Ų | 65 | 38.5 Ų | 38.5 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.1 | -23.6 | 178.4 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | L258 T262 L263 Q264 | L258-S260 PolarHBondContact O-N 2.83Å; S260-T262 PolarHBondContact O-N 3.36Å; S260-L263 PolarHBondContact O-N 3.11Å; S260-Q264 VanDerWaalsContact O-CB 3.31Å; S260-Q264 WeakPolarHBondContact O-CB 3.48Å; S260-Q264 PolarHBondContact O-N 3.22Å |
| 261 | S | 83.8 | Confident | 86.6 | Confident | 42 Ų | 42 | 41.3 Ų | 41.3 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.1 | -28 | 177.7 | 86.7 | 0 | 0 | 0 | 0 | 112.9 | K199 D259 L265 | K199-S261 PolarHBondContact NZ-OG 3.42Å; D259-S261 PolarHBondContact O-N 3.23Å; D259-S261 VanDerWaalsContact O-N 3.13Å; D259-S261 VanDerWaalsContact OD1-CB 3.25Å; D259-S261 WeakPolarHBondContact OD1-CB 3.19Å; D259-S261 PolarHBondContact OD1-N 3.06Å; D259-S261 PolarHBondContact OD1-OG 3.4Å; D259-S261 PolarHBondContact OD2-OG 3.35Å; S261-L265 WeakPolarHBondContact O-CB 3.4Å; S261-L265 PolarHBondContact O-N 2.95Å |
| 262 | T | 85.6 | Confident | 86.6 | Confident | 11 Ų | 11 | 37.6 Ų | 37.6 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.7 | -48.3 | 179.3 | -55.1 | 0 | 0 | 0 | 0 | 111 | A256 D259 S260 L265 F266 | A256-T262 VanDerWaalsContact O-CB 3.3Å; A256-T262 WeakPolarHBondContact O-CB 3.42Å; A256-T262 PolarHBondContact O-OG1 3.3Å; D259-T262 WeakPolarHBondContact O-CB 3.4Å; D259-T262 PolarHBondContact O-N 2.98Å; D259-T262 VanDerWaalsContact O-N 3.09Å; S260-T262 PolarHBondContact O-N 3.36Å; T262-L265 WeakPolarHBondContact O-CB 3.39Å; T262-L265 PolarHBondContact O-N 3.34Å; T262-F266 HydrophobicContact CG2-CE2 4.23Å; T262-F266 WeakPolarHBondContact O-CD2 3.48Å |
| 263 | L | 88.6 | Confident | 86.4 | Confident | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.6 | -41.3 | 178.5 | -176.8 | 62.7 | 0 | 0 | 0 | 111.1 | S260 L265 F266 F267 L285 I288 F304 H307 L308 | S260-L263 PolarHBondContact O-N 3.11Å; L263-L265 VanDerWaalsContact C-N 3.3Å; L263-L265 PolarHBondContact O-N 3.09Å; L263-F266 PolarHBondContact O-N 2.97Å; L263-F267 HydrophobicContact CD1-CD2 4.23Å; L263-F267 HydrophobicContact CD1-CE2 3.73Å; L263-F267 HydrophobicContact CD2-CE2 4.29Å; L263-F267 HydrophobicContact CG-CD2 4.05Å; L263-F267 HydrophobicContact CG-CE2 3.8Å; L263-F267 WeakPolarHBondContact O-CD2 3.4Å; L263-F267 PolarHBondContact O-N 2.95Å; L263-L285 HydrophobicContact CD1-CD2 3.8Å; L263-I288 HydrophobicContact CD1-CG2 3.87Å; L263-F304 HydrophobicContact CD2-CE2 4.24Å; L263-H307 HydrophobicContact CD2-CB 3.89Å; L263-L308 HydrophobicContact CD1-CD1 4.27Å; L263-L308 HydrophobicContact CD2-CB 4.15Å |
| 264 | Q | 88.9 | Confident | 85.8 | Confident | 55 Ų | 55 | 36.3 Ų | 36.3 | 26% | 0.257 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.4 | -40.6 | 178 | -169.6 | 64.4 | 38.4 | 0 | 0 | 111.7 | S260 F266 F267 D268 | S260-Q264 VanDerWaalsContact O-CB 3.31Å; S260-Q264 WeakPolarHBondContact O-CB 3.48Å; S260-Q264 PolarHBondContact O-N 3.22Å; Q264-F266 VanDerWaalsContact C-N 3.32Å; Q264-F266 PolarHBondContact O-N 3.12Å; Q264-F267 PolarHBondContact O-N 3.28Å; Q264-D268 WeakPolarHBondContact CG-OD2 3.25Å; Q264-D268 PolarHBondContact NE2-OD1 3.42Å; Q264-D268 WeakPolarHBondContact O-CB 3.47Å; Q264-D268 VanDerWaalsContact O-CG 3.24Å; Q264-D268 PolarHBondContact O-N 2.89Å |
| 265 | L | 89.9 | Confident | 85.3 | Confident | 14 Ų | 14 | 35.4 Ų | 35.4 | 7% | 0.073 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -51.5 | -48.3 | 176.6 | 174.1 | 66.7 | 0 | 0 | 0 | 112.4 | L198 K199 S261 T262 L263 D268 L269 | L198-L265 HydrophobicContact CB-CD2 4.1Å; K199-L265 HydrophobicContact CG-CD1 3.9Å; K199-L265 HydrophobicContact CG-CD2 3.7Å; K199-L265 HydrophobicContact CG-CG 4.34Å; S261-L265 WeakPolarHBondContact O-CB 3.4Å; S261-L265 PolarHBondContact O-N 2.95Å; T262-L265 WeakPolarHBondContact O-CB 3.39Å; T262-L265 PolarHBondContact O-N 3.34Å; L263-L265 VanDerWaalsContact C-N 3.3Å; L263-L265 PolarHBondContact O-N 3.09Å; L265-D268 PolarHBondContact O-N 3.39Å; L265-L269 HydrophobicContact CD1-CD1 3.99Å; L265-L269 HydrophobicContact CD1-CG 4.14Å; L265-L269 HydrophobicContact CG-CD1 3.93Å; L265-L269 HydrophobicContact CG-CG 4.44Å; L265-L269 WeakPolarHBondContact O-CB 3.44Å; L265-L269 WeakPolarHBondContact O-CG 3.28Å; L265-L269 PolarHBondContact O-N 2.97Å |
| 266 | F | 91.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.5 | -36 | -177.6 | -66.7 | -79.5 | 0 | 0 | 0 | 112.3 | L198 L221 T224 T262 L263 Q264 Y270 V281 C284 L285 I288 | L198-F266 HydrophobicContact CD1-CE1 4.21Å; L198-F266 HydrophobicContact CD1-CZ 4.44Å; L221-F266 HydrophobicContact CD2-CD1 4.47Å; L221-F266 HydrophobicContact CD2-CE1 4.28Å; T224-F266 HydrophobicContact CG2-CE1 4.02Å; T224-F266 HydrophobicContact CG2-CZ 3.69Å; T262-F266 HydrophobicContact CG2-CE2 4.23Å; T262-F266 WeakPolarHBondContact O-CD2 3.48Å; L263-F266 PolarHBondContact O-N 2.97Å; Q264-F266 VanDerWaalsContact C-N 3.32Å; Q264-F266 PolarHBondContact O-N 3.12Å; F266-Y270 PolarHBondContact O-N 2.96Å; F266-V281 HydrophobicContact CB-CG1 4.24Å; F266-V281 HydrophobicContact CD1-CG1 4.46Å; F266-V281 WeakPolarHBondContact O-CG1 3.39Å; F266-C284 HydrophobicContact CD1-CB 3.89Å; F266-C284 HydrophobicContact CE1-CB 3.88Å; F266-L285 HydrophobicContact CB-CD1 4.43Å; F266-L285 HydrophobicContact CB-CD2 3.67Å; F266-L285 HydrophobicContact CB-CG 3.89Å; F266-I288 HydrophobicContact CD2-CD1 3.53Å; F266-I288 HydrophobicContact CE2-CD1 3.66Å; F266-I288 HydrophobicContact CG-CD1 4.17Å; F266-I288 HydrophobicContact CZ-CD1 4.38Å |
| 267 | F | 91.3 | Very high | 83.8 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 1% | 0.013 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.8 | -41.2 | 173 | -76.4 | -63.5 | 0 | 0 | 0 | 111.9 | L263 Q264 Y270 H271 L285 L308 I315 | L263-F267 HydrophobicContact CD1-CD2 4.23Å; L263-F267 HydrophobicContact CD1-CE2 3.73Å; L263-F267 HydrophobicContact CD2-CE2 4.29Å; L263-F267 HydrophobicContact CG-CD2 4.05Å; L263-F267 HydrophobicContact CG-CE2 3.8Å; L263-F267 WeakPolarHBondContact O-CD2 3.4Å; L263-F267 PolarHBondContact O-N 2.95Å; Q264-F267 PolarHBondContact O-N 3.28Å; F267-Y270 PolarHBondContact O-N 3.46Å; F267-H271 PolarHBondContact O-N 3.47Å; F267-H271 PolarHBondContact O-ND1 3.19Å; F267-L285 HydrophobicContact CD1-CD1 3.95Å; F267-L285 HydrophobicContact CD1-CD2 4.45Å; F267-L285 HydrophobicContact CD2-CD2 4.16Å; F267-L285 HydrophobicContact CE1-CD1 3.81Å; F267-L285 HydrophobicContact CE1-CD2 4.17Å; F267-L285 HydrophobicContact CE2-CD2 3.88Å; F267-L285 HydrophobicContact CG-CD2 4.44Å; F267-L285 HydrophobicContact CZ-CD1 4.32Å; F267-L285 HydrophobicContact CZ-CD2 3.88Å; F267-L308 HydrophobicContact CE2-CD1 4.37Å; F267-L308 HydrophobicContact CZ-CD1 4.15Å; F267-I315 HydrophobicContact CD1-CD1 3.96Å; F267-I315 HydrophobicContact CD1-CG1 4.5Å; F267-I315 HydrophobicContact CE1-CD1 3.8Å |
| 268 | D | 88.4 | Confident | 83.6 | Confident | 76 Ų | 76 | 36.8 Ų | 36.8 | 41% | 0.406 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.9 | -38.1 | 177.3 | -65.4 | -14.6 | 0 | 0 | 0 | 111.6 | Q264 L265 H271 S272 | Q264-D268 WeakPolarHBondContact CG-OD2 3.25Å; Q264-D268 PolarHBondContact NE2-OD1 3.42Å; Q264-D268 WeakPolarHBondContact O-CB 3.47Å; Q264-D268 VanDerWaalsContact O-CG 3.24Å; Q264-D268 PolarHBondContact O-N 2.89Å; L265-D268 PolarHBondContact O-N 3.39Å; D268-H271 PolarHBondContact O-N 2.9Å; D268-S272 WeakPolarHBondContact O-CB 3.39Å; D268-S272 PolarHBondContact O-N 3.37Å; D268-S272 PolarHBondContact O-OG 3.44Å |
| 269 | L | 87.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 173.1 | -75.9 | 174 | 0 | 0 | 0 | 111.5 | L198 L217 L221 L265 H271 S272 I273 V281 | L198-L269 HydrophobicContact CD2-CD1 4.33Å; L217-L269 HydrophobicContact CD1-CD2 4.1Å; L221-L269 HydrophobicContact CD2-CD1 4.46Å; L265-L269 HydrophobicContact CD1-CD1 3.99Å; L265-L269 HydrophobicContact CD1-CG 4.14Å; L265-L269 HydrophobicContact CG-CD1 3.93Å; L265-L269 HydrophobicContact CG-CG 4.44Å; L265-L269 WeakPolarHBondContact O-CB 3.44Å; L265-L269 WeakPolarHBondContact O-CG 3.28Å; L265-L269 PolarHBondContact O-N 2.97Å; L269-H271 VanDerWaalsContact C-N 3.26Å; L269-H271 PolarHBondContact O-N 3.44Å; L269-S272 WeakPolarHBondContact CA-OG 3.39Å; L269-S272 PolarHBondContact O-N 3.03Å; L269-S272 VanDerWaalsContact O-N 3.16Å; L269-S272 PolarHBondContact O-OG 3.46Å; L269-I273 HydrophobicContact CB-CD1 3.84Å; L269-I273 HydrophobicContact CD2-CD1 4.03Å; L269-I273 HydrophobicContact CG-CD1 4.47Å; L269-I273 WeakPolarHBondContact O-CB 3.43Å; L269-I273 VanDerWaalsContact O-CD1 3.26Å; L269-I273 WeakPolarHBondContact O-CD1 3.47Å; L269-I273 WeakPolarHBondContact O-CG1 3.42Å; L269-I273 PolarHBondContact O-N 3.47Å; L269-V281 HydrophobicContact CB-CG1 4.31Å |
| 270 | Y | 88.3 | Confident | 84 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.1 | -37.7 | 178.9 | 177.5 | -97.6 | 0 | 0 | 0 | 113 | F266 F267 L282 I315 S321 L322 | F266-Y270 PolarHBondContact O-N 2.96Å; F267-Y270 PolarHBondContact O-N 3.46Å; Y270-L282 HydrophobicContact CD2-CD1 4.31Å; Y270-L282 HydrophobicContact CD2-CD2 4.01Å; Y270-L282 HydrophobicContact CD2-CG 3.86Å; Y270-L282 HydrophobicContact CE2-CD1 3.65Å; Y270-L282 HydrophobicContact CE2-CD2 3.92Å; Y270-L282 HydrophobicContact CE2-CG 3.71Å; Y270-I315 HydrophobicContact CD1-CD1 3.96Å; Y270-I315 HydrophobicContact CD1-CG1 3.84Å; Y270-I315 HydrophobicContact CE1-CB 4.34Å; Y270-I315 HydrophobicContact CE1-CD1 3.98Å; Y270-I315 HydrophobicContact CE1-CG1 3.71Å; Y270-I315 HydrophobicContact CE1-CG2 3.89Å; Y270-I315 HydrophobicContact CG-CD1 4.44Å; Y270-S321 WeakPolarHBondContact OH-CB 3.42Å; Y270-L322 WeakPolarHBondContact OH-CD2 3.21Å |
| 271 | H | 85.2 | Confident | 84.5 | Confident | 85 Ų | 85 | 30.3 Ų | 30.3 | 39% | 0.394 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -82.9 | -17.3 | -179.5 | -65.1 | 91.2 | 0 | 0 | 0 | 113.8 | F267 D268 L269 | F267-H271 PolarHBondContact O-N 3.47Å; F267-H271 PolarHBondContact O-ND1 3.19Å; D268-H271 PolarHBondContact O-N 2.9Å; L269-H271 VanDerWaalsContact C-N 3.26Å; L269-H271 PolarHBondContact O-N 3.44Å |
| 272 | S | 82.3 | Confident | 84.9 | Confident | 42 Ų | 42 | 28.3 Ų | 28.3 | 29% | 0.294 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -100.7 | -18.8 | -176.1 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | D268 L269 | D268-S272 WeakPolarHBondContact O-CB 3.39Å; D268-S272 PolarHBondContact O-N 3.37Å; D268-S272 PolarHBondContact O-OG 3.44Å; L269-S272 WeakPolarHBondContact CA-OG 3.39Å; L269-S272 PolarHBondContact O-N 3.03Å; L269-S272 VanDerWaalsContact O-N 3.16Å; L269-S272 PolarHBondContact O-OG 3.46Å |
| 273 | I | 80.1 | Confident | 85.2 | Confident | 9 Ų | 9 | 28.3 Ų | 28.3 | 5% | 0.046 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -96.6 | 149.2 | -177 | -61.7 | 162.9 | 0 | 0 | 0 | 111 | L217 L269 F277 V281 | L217-I273 HydrophobicContact CD1-CD1 4.43Å; L217-I273 HydrophobicContact CD2-CD1 3.34Å; L217-I273 HydrophobicContact CD2-CG1 4.01Å; L217-I273 HydrophobicContact CG-CD1 4.47Å; L269-I273 HydrophobicContact CB-CD1 3.84Å; L269-I273 HydrophobicContact CD2-CD1 4.03Å; L269-I273 HydrophobicContact CG-CD1 4.47Å; L269-I273 WeakPolarHBondContact O-CB 3.43Å; L269-I273 VanDerWaalsContact O-CD1 3.26Å; L269-I273 WeakPolarHBondContact O-CD1 3.47Å; L269-I273 WeakPolarHBondContact O-CG1 3.42Å; L269-I273 PolarHBondContact O-N 3.47Å; I273-F277 HydrophobicContact CG2-CB 3.6Å; I273-F277 HydrophobicContact CG2-CD2 4.47Å; I273-V281 HydrophobicContact CD1-CG2 3.97Å |
| 274 | P | 76 | Confident | 85.3 | Confident | 39 Ų | 39 | 28 Ų | 28 | 25% | 0.253 | 16% | 0.158 | S | C | . | . | trans | -60.1 | 147.2 | 174.1 | -22.6 | 33.3 | 0 | 0 | 0 | 113.1 | L208 S276 F277 S278 | L208-P274 HydrophobicContact CD2-CG 4.46Å; P274-S276 PolarHBondContact O-N 3.1Å; P274-F277 HydrophobicContact CB-CD2 4.09Å; P274-F277 HydrophobicContact CB-CE2 4.49Å; P274-F277 HydrophobicContact CG-CD2 4.34Å; P274-F277 PolarHBondContact O-N 3.44Å; P274-S278 PolarHBondContact O-N 3.26Å; P274-S278 PolarHBondContact O-OG 3.43Å | ||
| 275 | P | 74.4 | Confident | 85.6 | Confident | 56 Ų | 56 | 25.4 Ų | 25.4 | 36% | 0.364 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -29.1 | -175 | -29.1 | 35.1 | 0 | 0 | 0 | 115.6 | F277 N327 | P275-F277 PolarHBondContact O-N 2.9Å; P275-F277 VanDerWaalsContact O-N 3.15Å; P275-N327 PolarHBondContact O-ND2 3.15Å |
| 276 | S | 71.2 | Confident | 85.7 | Confident | 72 Ų | 72 | 24.7 Ų | 24.7 | 50% | 0.503 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -16.7 | 178.9 | 49.9 | 0 | 0 | 0 | 0 | 114.4 | P274 | P274-S276 PolarHBondContact O-N 3.1Š|
| 277 | F | 72.2 | Confident | 85.6 | Confident | 57 Ų | 57 | 25.5 Ų | 25.5 | 25% | 0.25 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -12.8 | -173.2 | -54.9 | -68.4 | 0 | 0 | 0 | 113.4 | H214 M218 I273 P274 P275 P279 | H214-F277 AromaticContact CD2-CE1 3.74Å; H214-F277 AromaticContact CD2-CE2 3.76Å; H214-F277 AromaticContact CD2-CZ 3.51Å; H214-F277 AromaticContact CE1-CD1 3.7Å; H214-F277 AromaticContact CE1-CD2 2.96Å; H214-F277 WeakPolarHBondContact CE1-CD2 3.47Å; H214-F277 AromaticContact CE1-CE1 3.95Å; H214-F277 AromaticContact CE1-CE2 3.26Å; H214-F277 WeakPolarHBondContact CE1-CE2 3.18Å; H214-F277 AromaticContact CE1-CG 3.17Å; H214-F277 WeakPolarHBondContact CE1-CG 3.38Å; H214-F277 AromaticContact CE1-CZ 3.74Å; H214-F277 AromaticContact ND1-CD2 3.94Å; H214-F277 AromaticContact ND1-CE2 3.95Å; H214-F277 AromaticContact NE2-CD1 3.04Å; H214-F277 WeakPolarHBondContact NE2-CD1 3.41Å; H214-F277 AromaticContact NE2-CD2 3.13Å; H214-F277 WeakPolarHBondContact NE2-CD2 3.48Å; H214-F277 AromaticContact NE2-CE1 3.04Å; H214-F277 WeakPolarHBondContact NE2-CE1 3.31Å; H214-F277 AromaticContact NE2-CE2 3.12Å; H214-F277 WeakPolarHBondContact NE2-CE2 3.44Å; H214-F277 AromaticContact NE2-CG 3.06Å; H214-F277 WeakPolarHBondContact NE2-CG 3.44Å; H214-F277 AromaticContact NE2-CZ 3.06Å; H214-F277 WeakPolarHBondContact NE2-CZ 3.15Å; M218-F277 HydrophobicContact CE-CD1 3.73Å; M218-F277 HydrophobicContact CE-CE1 4.46Å; M218-F277 HydrophobicContact CG-CD1 3.9Å; M218-F277 HydrophobicContact CG-CE1 4.38Å; M218-F277 HydrophobicContact SD-CB 3.68Å; M218-F277 HydrophobicContact SD-CD1 3.46Å; M218-F277 WeakPolarHBondContact SD-CD1 3.09Å; M218-F277 HydrophobicContact SD-CE1 4.42Å; M218-F277 HydrophobicContact SD-CG 3.94Å; I273-F277 HydrophobicContact CG2-CB 3.6Å; I273-F277 HydrophobicContact CG2-CD2 4.47Å; P274-F277 HydrophobicContact CB-CD2 4.09Å; P274-F277 HydrophobicContact CB-CE2 4.49Å; P274-F277 HydrophobicContact CG-CD2 4.34Å; P274-F277 PolarHBondContact O-N 3.44Å; P275-F277 PolarHBondContact O-N 2.9Å; P275-F277 VanDerWaalsContact O-N 3.15Å; F277-P279 VanDerWaalsContact C-N 3.3Å |
| 278 | S | 83.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.8 | -22.2 | 171.3 | -56.9 | 0 | 0 | 0 | 0 | 116 | P274 L280 V281 L282 N327 | P274-S278 PolarHBondContact O-N 3.26Å; P274-S278 PolarHBondContact O-OG 3.43Å; S278-L280 PolarHBondContact O-N 3.44Å; S278-V281 WeakPolarHBondContact O-CB 3.29Å; S278-V281 PolarHBondContact O-N 3.48Å; S278-V281 VanDerWaalsContact O-N 3.15Å; S278-L282 PolarHBondContact O-N 2.7Å; S278-L282 VanDerWaalsContact O-N 3.07Å; S278-N327 WeakPolarHBondContact CB-OD1 3.45Å |
| 279 | P | 87.9 | Confident | 85.7 | Confident | 21 Ų | 21 | 21.9 Ų | 21.9 | 14% | 0.136 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.9 | -40.7 | -178.7 | -24.8 | 33.6 | 0 | 0 | 0 | 112.4 | F277 V281 L282 S283 N326 N327 E330 | F277-P279 VanDerWaalsContact C-N 3.3Å; P279-V281 VanDerWaalsContact C-N 3.29Å; P279-V281 PolarHBondContact O-N 3.35Å; P279-L282 CarbonylContact O-C 3.56Å; P279-L282 PolarHBondContact O-N 2.96Å; P279-S283 PolarHBondContact O-N 3.45Å; P279-S283 PolarHBondContact O-OG 3.23Å; P279-S283 VanDerWaalsContact O-OG 3.07Å; P279-N326 HydrophobicContact CB-CB 3.97Å; P279-N326 HydrophobicContact CG-CB 3.61Å; P279-N327 WeakPolarHBondContact CA-OD1 3.1Å; P279-N327 WeakPolarHBondContact CD-OD1 3.45Å; P279-N327 WeakPolarHBondContact CG-OD1 3.4Å; P279-E330 HydrophobicContact CB-CG 4.46Å |
| 280 | L | 87.2 | Confident | 85.7 | Confident | 46 Ų | 46 | 22 Ų | 22 | 24% | 0.241 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66 | -31.7 | 178.3 | -74.5 | 177.7 | 0 | 0 | 0 | 112.7 | M218 L221 S278 S283 C284 | M218-L280 HydrophobicContact CE-CD1 3.38Å; M218-L280 HydrophobicContact CE-CG 4.43Å; M218-L280 HydrophobicContact SD-CD1 4Å; L221-L280 HydrophobicContact CB-CB 4.22Å; L221-L280 HydrophobicContact CD1-CB 4.41Å; S278-L280 PolarHBondContact O-N 3.44Å; L280-S283 PolarHBondContact O-N 3.33Å; L280-C284 PolarHBondContact O-N 2.93Å; L280-C284 PolarHBondContact O-SG 2.69Å |
| 281 | V | 91.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.8 | -46.5 | 174.1 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | L221 F266 L269 I273 S278 P279 S283 C284 L285 | L221-V281 HydrophobicContact CD1-CG2 3.53Å; L221-V281 HydrophobicContact CD2-CG2 3.97Å; L221-V281 HydrophobicContact CG-CG2 4.42Å; F266-V281 HydrophobicContact CB-CG1 4.24Å; F266-V281 HydrophobicContact CD1-CG1 4.46Å; F266-V281 WeakPolarHBondContact O-CG1 3.39Å; L269-V281 HydrophobicContact CB-CG1 4.31Å; I273-V281 HydrophobicContact CD1-CG2 3.97Å; S278-V281 WeakPolarHBondContact O-CB 3.29Å; S278-V281 PolarHBondContact O-N 3.48Å; S278-V281 VanDerWaalsContact O-N 3.15Å; P279-V281 VanDerWaalsContact C-N 3.29Å; P279-V281 PolarHBondContact O-N 3.35Å; V281-S283 PolarHBondContact O-N 3.46Å; V281-C284 WeakPolarHBondContact O-CB 3.25Å; V281-C284 PolarHBondContact O-N 2.88Å; V281-L285 HydrophobicContact CG1-CD1 4.5Å; V281-L285 PolarHBondContact O-N 2.88Å |
| 282 | L | 91.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 174.8 | -70.4 | 171.9 | 0 | 0 | 0 | 111.6 | Y270 S278 P279 C284 L285 V286 I315 N327 E330 F331 L334 | Y270-L282 HydrophobicContact CD2-CD1 4.31Å; Y270-L282 HydrophobicContact CD2-CD2 4.01Å; Y270-L282 HydrophobicContact CD2-CG 3.86Å; Y270-L282 HydrophobicContact CE2-CD1 3.65Å; Y270-L282 HydrophobicContact CE2-CD2 3.92Å; Y270-L282 HydrophobicContact CE2-CG 3.71Å; S278-L282 PolarHBondContact O-N 2.7Å; S278-L282 VanDerWaalsContact O-N 3.07Å; P279-L282 CarbonylContact O-C 3.56Å; P279-L282 PolarHBondContact O-N 2.96Å; L282-C284 VanDerWaalsContact C-N 3.28Å; L282-C284 PolarHBondContact O-N 3.44Å; L282-L285 HydrophobicContact CD2-CD1 4.18Å; L282-L285 CarbonylContact O-C 3.59Å; L282-L285 WeakPolarHBondContact O-CA 3.47Å; L282-L285 WeakPolarHBondContact O-CB 3.47Å; L282-L285 PolarHBondContact O-N 2.79Å; L282-V286 VanDerWaalsContact O-CG2 3.28Å; L282-V286 WeakPolarHBondContact O-CG2 3.38Å; L282-V286 PolarHBondContact O-N 2.97Å; L282-I315 HydrophobicContact CD2-CD1 4.14Å; L282-N327 HydrophobicContact CD1-CB 4.09Å; L282-N327 VanDerWaalsContact CD1-O 3.25Å; L282-N327 WeakPolarHBondContact CD1-O 3.46Å; L282-E330 HydrophobicContact CB-CB 3.53Å; L282-E330 HydrophobicContact CB-CG 4.5Å; L282-E330 HydrophobicContact CD1-CB 4.06Å; L282-E330 HydrophobicContact CG-CB 4.47Å; L282-F331 HydrophobicContact CD1-CB 4.15Å; L282-F331 HydrophobicContact CD2-CD2 4.22Å; L282-L334 HydrophobicContact CD2-CD2 4.39Å |
| 283 | S | 91.4 | Very high | 85.5 | Confident | 11 Ų | 11 | 24.2 Ų | 24.2 | 8% | 0.077 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.8 | -35.9 | 174.8 | -58.3 | 0 | 0 | 0 | 0 | 112.5 | P279 L280 V281 Q287 E330 | P279-S283 PolarHBondContact O-N 3.45Å; P279-S283 PolarHBondContact O-OG 3.23Å; P279-S283 VanDerWaalsContact O-OG 3.07Å; L280-S283 PolarHBondContact O-N 3.33Å; V281-S283 PolarHBondContact O-N 3.46Å; S283-Q287 WeakPolarHBondContact O-CG 3.46Å; S283-Q287 PolarHBondContact O-N 2.81Å; S283-E330 VanDerWaalsContact CA-OE2 3.29Å; S283-E330 WeakPolarHBondContact CA-OE2 3.3Å; S283-E330 WeakPolarHBondContact CB-OE2 3.43Å; S283-E330 PolarHBondContact OG-OE2 3.1Å |
| 284 | C | 92.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65 | -46 | 170.6 | -65.9 | 0 | 0 | 0 | 0 | 111.2 | L228 F266 L280 V281 L282 V286 Q287 I288 | L228-C284 HydrophobicContact CD1-CB 4.22Å; F266-C284 HydrophobicContact CD1-CB 3.89Å; F266-C284 HydrophobicContact CE1-CB 3.88Å; L280-C284 PolarHBondContact O-N 2.93Å; L280-C284 PolarHBondContact O-SG 2.69Å; V281-C284 WeakPolarHBondContact O-CB 3.25Å; V281-C284 PolarHBondContact O-N 2.88Å; L282-C284 VanDerWaalsContact C-N 3.28Å; L282-C284 PolarHBondContact O-N 3.44Å; C284-V286 VanDerWaalsContact C-N 3.32Å; C284-V286 PolarHBondContact O-N 2.94Å; C284-Q287 PolarHBondContact O-N 2.68Å; C284-I288 VanDerWaalsContact O-CG1 3.25Å; C284-I288 WeakPolarHBondContact O-CG1 3.25Å; C284-I288 PolarHBondContact O-N 3.36Å |
| 285 | L | 93.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.1 | -39 | 176.5 | -73.5 | 167.6 | 0 | 0 | 0 | 112.4 | L263 F266 F267 V281 L282 Q287 I288 A289 L334 | L263-L285 HydrophobicContact CD1-CD2 3.8Å; F266-L285 HydrophobicContact CB-CD1 4.43Å; F266-L285 HydrophobicContact CB-CD2 3.67Å; F266-L285 HydrophobicContact CB-CG 3.89Å; F267-L285 HydrophobicContact CD1-CD1 3.95Å; F267-L285 HydrophobicContact CD1-CD2 4.45Å; F267-L285 HydrophobicContact CD2-CD2 4.16Å; F267-L285 HydrophobicContact CE1-CD1 3.81Å; F267-L285 HydrophobicContact CE1-CD2 4.17Å; F267-L285 HydrophobicContact CE2-CD2 3.88Å; F267-L285 HydrophobicContact CG-CD2 4.44Å; F267-L285 HydrophobicContact CZ-CD1 4.32Å; F267-L285 HydrophobicContact CZ-CD2 3.88Å; V281-L285 HydrophobicContact CG1-CD1 4.5Å; V281-L285 PolarHBondContact O-N 2.88Å; L282-L285 HydrophobicContact CD2-CD1 4.18Å; L282-L285 CarbonylContact O-C 3.59Å; L282-L285 WeakPolarHBondContact O-CA 3.47Å; L282-L285 WeakPolarHBondContact O-CB 3.47Å; L282-L285 PolarHBondContact O-N 2.79Å; L285-Q287 VanDerWaalsContact C-N 3.33Å; L285-Q287 PolarHBondContact O-N 3.08Å; L285-I288 PolarHBondContact O-N 3.06Å; L285-A289 VanDerWaalsContact O-CB 3.26Å; L285-A289 WeakPolarHBondContact O-CB 3.41Å; L285-A289 PolarHBondContact O-N 3.42Å; L285-L334 HydrophobicContact CB-CD1 4.19Å; L285-L334 HydrophobicContact CB-CD2 4.18Å |
| 286 | V | 91.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 175.1 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | L282 C284 A289 S290 E330 R333 L334 R337 | L282-V286 VanDerWaalsContact O-CG2 3.28Å; L282-V286 WeakPolarHBondContact O-CG2 3.38Å; L282-V286 PolarHBondContact O-N 2.97Å; C284-V286 VanDerWaalsContact C-N 3.32Å; C284-V286 PolarHBondContact O-N 2.94Å; V286-A289 PolarHBondContact O-N 2.92Å; V286-S290 WeakPolarHBondContact O-CB 3.3Å; V286-S290 PolarHBondContact O-N 3.3Å; V286-S290 VanDerWaalsContact O-N 3.1Å; V286-S290 PolarHBondContact O-OG 3.49Å; V286-E330 WeakPolarHBondContact CG2-O 3.36Å; V286-R333 HydrophobicContact CG1-CB 4.31Å; V286-R333 HydrophobicContact CG2-CB 3.92Å; V286-L334 HydrophobicContact CG2-CB 3.86Å; V286-R337 HydrophobicContact CG1-CG 4.12Å |
| 287 | Q | 90.2 | Very high | 87.1 | Confident | 16 Ų | 16 | 23.7 Ų | 23.7 | 8% | 0.075 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.6 | -41.7 | 178.8 | -62.6 | -61.7 | -12.5 | 0 | 0 | 111.8 | L228 N229 S283 C284 L285 A289 S290 V291 | L228-Q287 HydrophobicContact CB-CB 3.74Å; L228-Q287 HydrophobicContact CB-CG 4.21Å; L228-Q287 HydrophobicContact CD1-CB 4.28Å; N229-Q287 PolarHBondContact OD1-NE2 3.05Å; N229-Q287 VanDerWaalsContact OD1-NE2 3.12Å; S283-Q287 WeakPolarHBondContact O-CG 3.46Å; S283-Q287 PolarHBondContact O-N 2.81Å; C284-Q287 PolarHBondContact O-N 2.68Å; L285-Q287 VanDerWaalsContact C-N 3.33Å; L285-Q287 PolarHBondContact O-N 3.08Å; Q287-A289 PolarHBondContact O-N 2.8Å; Q287-S290 WeakPolarHBondContact O-CA 3.22Å; Q287-S290 WeakPolarHBondContact O-CB 3.2Å; Q287-S290 PolarHBondContact O-N 3.3Å; Q287-V291 PolarHBondContact O-N 3.38Å |
| 288 | I | 91.2 | Very high | 87.6 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.015 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 175.8 | -65.7 | 165 | 0 | 0 | 0 | 111 | L228 F257 L263 F266 C284 L285 S290 V291 F304 | L228-I288 HydrophobicContact CD1-CD1 4.27Å; L228-I288 HydrophobicContact CD1-CG1 3.87Å; L228-I288 HydrophobicContact CD2-CG1 4.44Å; F257-I288 HydrophobicContact CD1-CG2 4.27Å; F257-I288 HydrophobicContact CE1-CG1 4.17Å; F257-I288 HydrophobicContact CE1-CG2 4.33Å; L263-I288 HydrophobicContact CD1-CG2 3.87Å; F266-I288 HydrophobicContact CD2-CD1 3.53Å; F266-I288 HydrophobicContact CE2-CD1 3.66Å; F266-I288 HydrophobicContact CG-CD1 4.17Å; F266-I288 HydrophobicContact CZ-CD1 4.38Å; C284-I288 VanDerWaalsContact O-CG1 3.25Å; C284-I288 WeakPolarHBondContact O-CG1 3.25Å; C284-I288 PolarHBondContact O-N 3.36Å; L285-I288 PolarHBondContact O-N 3.06Å; I288-S290 PolarHBondContact O-N 3.21Å; I288-V291 WeakPolarHBondContact O-CB 3.06Å; I288-V291 VanDerWaalsContact O-CG2 3.26Å; I288-V291 WeakPolarHBondContact O-CG2 3.06Å; I288-V291 PolarHBondContact O-N 3.07Å; I288-F304 HydrophobicContact CG2-CE2 4.32Å; I288-F304 HydrophobicContact CG2-CZ 3.78Å |
| 289 | A | 89.9 | Confident | 87.7 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.3 | -23.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L285 V286 Q287 L308 L334 R337 N341 | L285-A289 VanDerWaalsContact O-CB 3.26Å; L285-A289 WeakPolarHBondContact O-CB 3.41Å; L285-A289 PolarHBondContact O-N 3.42Å; V286-A289 PolarHBondContact O-N 2.92Å; Q287-A289 PolarHBondContact O-N 2.8Å; A289-L308 HydrophobicContact CB-CD1 4.21Å; A289-L308 HydrophobicContact CB-CD2 3.93Å; A289-L334 HydrophobicContact CB-CD1 3.59Å; A289-R337 HydrophobicContact CB-CB 4.03Å; A289-N341 PolarHBondContact O-ND2 3.05Å |
| 290 | S | 88.9 | Confident | 87.7 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -3.9 | -179.8 | -58.7 | 0 | 0 | 0 | 0 | 113.9 | T246 V247 V286 Q287 I288 R292 R337 | T246-S290 CarbonylContact C-O 3.56Å; T246-S290 WeakPolarHBondContact CA-O 3.39Å; V247-S290 PolarHBondContact N-O 3.36Å; V286-S290 WeakPolarHBondContact O-CB 3.3Å; V286-S290 PolarHBondContact O-N 3.3Å; V286-S290 VanDerWaalsContact O-N 3.1Å; V286-S290 PolarHBondContact O-OG 3.49Å; Q287-S290 WeakPolarHBondContact O-CA 3.22Å; Q287-S290 WeakPolarHBondContact O-CB 3.2Å; Q287-S290 PolarHBondContact O-N 3.3Å; I288-S290 PolarHBondContact O-N 3.21Å; S290-R292 PolarHBondContact O-N 3.13Å; S290-R337 WeakPolarHBondContact OG-CD 3.04Å; S290-R337 VanDerWaalsContact OG-CG 3.3Å; S290-R337 WeakPolarHBondContact OG-CG 3.04Å; S290-R337 PolarHBondContact OG-NE 3.3Å |
| 291 | V | 87.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -61.2 | 122.2 | 179.8 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | I249 F257 Q287 I288 R293 L295 F296 N341 | I249-V291 HydrophobicContact CD1-CG1 4.31Å; I249-V291 HydrophobicContact CD1-CG2 3.49Å; I249-V291 VanDerWaalsContact CD1-CG2 3.49Å; I249-V291 HydrophobicContact CG1-CG1 4.5Å; I249-V291 HydrophobicContact CG1-CG2 4.22Å; F257-V291 HydrophobicContact CD1-CG2 4.23Å; F257-V291 HydrophobicContact CE1-CG2 3.88Å; F257-V291 HydrophobicContact CZ-CG2 4.24Å; Q287-V291 PolarHBondContact O-N 3.38Å; I288-V291 WeakPolarHBondContact O-CB 3.06Å; I288-V291 VanDerWaalsContact O-CG2 3.26Å; I288-V291 WeakPolarHBondContact O-CG2 3.06Å; I288-V291 PolarHBondContact O-N 3.07Å; V291-R293 PolarHBondContact O-N 3.45Å; V291-L295 HydrophobicContact CG1-CB 4.3Å; V291-L295 HydrophobicContact CG1-CD2 3.42Å; V291-L295 VanDerWaalsContact CG1-CD2 3.42Å; V291-L295 HydrophobicContact CG1-CG 4.5Å; V291-F296 HydrophobicContact CG1-CE2 4.22Å; V291-F296 HydrophobicContact CG1-CZ 4.3Å; V291-N341 PolarHBondContact O-ND2 2.95Å; V291-N341 PolarHBondContact O-OD1 3.37Å |
| 292 | R | 82.9 | Confident | 87.6 | Confident | 113 Ų | 113 | 32.7 Ų | 32.7 | 43% | 0.426 | 18% | 0.182 | S | C | . | . | trans | -51.7 | 127.1 | -172.4 | -171.9 | -179.2 | 174.7 | -174 | -1.9 | 112.4 | V247 S290 S294 L295 | V247-R292 PolarHBondContact O-N 3.44Å; S290-R292 PolarHBondContact O-N 3.13Å; R292-S294 WeakPolarHBondContact CD-OG 3.13Å; R292-S294 WeakPolarHBondContact CG-OG 3.12Å; R292-S294 PolarHBondContact NE-OG 3.4Å; R292-S294 VanDerWaalsContact NE-OG 3.11Å; R292-S294 PolarHBondContact O-N 3.05Å; R292-L295 VanDerWaalsContact O-CB 3.29Å; R292-L295 WeakPolarHBondContact O-CB 3.3Å; R292-L295 PolarHBondContact O-N 3.08Å | ||
| 293 | R | 81.3 | Confident | 87.5 | Confident | 63 Ų | 63 | 39.8 Ų | 39.8 | 24% | 0.238 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -51.8 | -25.1 | 179.9 | 72.3 | -177.2 | -68.4 | -153.5 | 6.7 | 116.3 | V291 L295 F296 N341 Q343 E346 | V291-R293 PolarHBondContact O-N 3.45Å; R293-L295 PolarHBondContact O-N 3.2Å; R293-F296 PolarHBondContact O-N 2.99Å; R293-N341 PolarHBondContact N-OD1 3.48Å; R293-Q343 VanDerWaalsContact NH2-OE1 3.08Å; R293-E346 IonicContact CZ-OE1 2.82Å; R293-E346 IonicContact CZ-OE2 2.85Å; R293-E346 VanDerWaalsContact NH2-CD 3.33Å; R293-E346 IonicContact NH2-OE1 2.75Å; R293-E346 PolarHBondContact NH2-OE1 3.15Å; R293-E346 IonicContact NH2-OE2 3.01Å; R293-E346 PolarHBondContact NH2-OE2 3.07Å |
| 294 | S | 81.3 | Confident | 87.4 | Confident | 75 Ų | 75 | 40 Ų | 40 | 52% | 0.524 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -71.5 | -12.1 | 178.2 | 60.7 | 0 | 0 | 0 | 0 | 113.2 | R292 F296 | R292-S294 WeakPolarHBondContact CD-OG 3.13Å; R292-S294 WeakPolarHBondContact CG-OG 3.12Å; R292-S294 PolarHBondContact NE-OG 3.4Å; R292-S294 VanDerWaalsContact NE-OG 3.11Å; R292-S294 PolarHBondContact O-N 3.05Å; S294-F296 PolarHBondContact O-N 3.33Å |
| 295 | L | 83.3 | Confident | 87.4 | Confident | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -66.6 | -21.2 | 171.8 | -171.3 | 65.9 | 0 | 0 | 0 | 111.8 | R254 F257 V291 R292 R293 | R254-L295 HydrophobicContact CB-CD1 4.01Å; R254-L295 HydrophobicContact CB-CG 4.33Å; R254-L295 WeakPolarHBondContact CD-O 3.28Å; R254-L295 HydrophobicContact CG-CD1 4.47Å; R254-L295 HydrophobicContact CG-CG 4.41Å; R254-L295 PolarHBondContact NH1-O 3.34Å; F257-L295 HydrophobicContact CD2-CD2 4.28Å; V291-L295 HydrophobicContact CG1-CB 4.3Å; V291-L295 HydrophobicContact CG1-CD2 3.42Å; V291-L295 VanDerWaalsContact CG1-CD2 3.42Å; V291-L295 HydrophobicContact CG1-CG 4.5Å; R292-L295 VanDerWaalsContact O-CB 3.29Å; R292-L295 WeakPolarHBondContact O-CB 3.3Å; R292-L295 PolarHBondContact O-N 3.08Å; R293-L295 PolarHBondContact O-N 3.2Å |
| 296 | F | 84.4 | Confident | 87.3 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -114.8 | 148.1 | -176.4 | -51.4 | -69.7 | 0 | 0 | 0 | 111.6 | F257 L258 V291 R293 S294 E300 R301 F304 | F257-F296 HydrophobicContact CB-CE1 3.92Å; F257-F296 HydrophobicContact CB-CZ 3.93Å; L258-F296 HydrophobicContact CD2-CD1 3.76Å; L258-F296 HydrophobicContact CD2-CE1 4.12Å; L258-F296 HydrophobicContact CG-CD1 4.49Å; V291-F296 HydrophobicContact CG1-CE2 4.22Å; V291-F296 HydrophobicContact CG1-CZ 4.3Å; R293-F296 PolarHBondContact O-N 2.99Å; S294-F296 PolarHBondContact O-N 3.33Å; F296-E300 HydrophobicContact CB-CB 4.27Å; F296-R301 HydrophobicContact CB-CB 3.94Å; F296-F304 HydrophobicContact CE2-CD1 4.29Å; F296-F304 HydrophobicContact CE2-CE1 4.49Å; F296-F304 HydrophobicContact CE2-CG 4.47Å; F296-F304 HydrophobicContact CZ-CD1 4.42Å; F296-F304 HydrophobicContact CZ-CD2 4.21Å; F296-F304 HydrophobicContact CZ-CE2 4.34Å; F296-F304 HydrophobicContact CZ-CG 4.24Å |
| 297 | N | 85.4 | Confident | 87.2 | Confident | 71 Ų | 71 | 46 Ų | 46 | 38% | 0.38 | 25% | 0.246 | S | C | . | . | trans | -76.9 | 172.9 | 164.7 | 71.9 | 38.3 | 0 | 0 | 0 | 110.6 | A299 E300 R301 | N297-A299 VanDerWaalsContact C-N 3.35Å; N297-A299 PolarHBondContact O-N 3.16Å; N297-A299 PolarHBondContact OD1-N 3.41Å; N297-A299 VanDerWaalsContact OD1-N 3.11Å; N297-E300 PolarHBondContact N-OE2 2.86Å; N297-E300 PolarHBondContact ND2-OE1 3.43Å; N297-E300 VanDerWaalsContact ND2-OE1 3.08Å; N297-E300 PolarHBondContact ND2-OE2 2.88Å; N297-E300 PolarHBondContact O-N 3.11Å; N297-E300 WeakPolarHBondContact OD1-CB 3.47Å; N297-E300 VanDerWaalsContact OD1-CG 3.29Å; N297-E300 WeakPolarHBondContact OD1-CG 3.45Å; N297-E300 PolarHBondContact OD1-N 3.14Å; N297-E300 PolarHBondContact OD1-OE2 3.35Å; N297-R301 WeakPolarHBondContact O-CB 3.38Å; N297-R301 PolarHBondContact O-N 3.11Å | ||
| 298 | N | 83.4 | Confident | 87.3 | Confident | 118 Ų | 118 | 45.3 Ų | 45.3 | 63% | 0.631 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.1 | -38.5 | -174.3 | -70.2 | -22.5 | 0 | 0 | 0 | 113.8 | R301 A302 | N298-R301 PolarHBondContact OD1-NH1 3.35Å; N298-R301 PolarHBondContact OD1-NH2 3.49Å; N298-A302 PolarHBondContact O-N 3.3Å |
| 299 | A | 85.4 | Confident | 87.4 | Confident | 67 Ų | 67 | 45.4 Ų | 45.4 | 55% | 0.554 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -74.8 | -43.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N297 A302 K303 | N297-A299 VanDerWaalsContact C-N 3.35Å; N297-A299 PolarHBondContact O-N 3.16Å; N297-A299 PolarHBondContact OD1-N 3.41Å; N297-A299 VanDerWaalsContact OD1-N 3.11Å; A299-A302 PolarHBondContact O-N 2.96Å; A299-K303 PolarHBondContact O-N 2.98Å |
| 300 | E | 88.1 | Confident | 87.6 | Confident | 43 Ų | 43 | 47.2 Ų | 47.2 | 20% | 0.201 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 174.8 | -68.6 | 161.8 | 173.2 | 0 | 0 | 111.8 | R254 L258 F296 N297 A302 K303 F304 | R254-E300 IonicContact CZ-OE1 3.74Å; R254-E300 IonicContact CZ-OE2 3.14Å; R254-E300 IonicContact NE-OE2 3.95Å; R254-E300 IonicContact NH1-OE2 3.5Å; R254-E300 PolarHBondContact NH1-OE2 3.14Å; R254-E300 IonicContact NH2-OE1 3.34Å; R254-E300 PolarHBondContact NH2-OE1 2.98Å; R254-E300 IonicContact NH2-OE2 2.66Å; R254-E300 PolarHBondContact NH2-OE2 3.34Å; L258-E300 HydrophobicContact CD2-CB 3.62Å; L258-E300 HydrophobicContact CD2-CG 3.62Å; F296-E300 HydrophobicContact CB-CB 4.27Å; N297-E300 PolarHBondContact N-OE2 2.86Å; N297-E300 PolarHBondContact ND2-OE1 3.43Å; N297-E300 VanDerWaalsContact ND2-OE1 3.08Å; N297-E300 PolarHBondContact ND2-OE2 2.88Å; N297-E300 PolarHBondContact O-N 3.11Å; N297-E300 WeakPolarHBondContact OD1-CB 3.47Å; N297-E300 VanDerWaalsContact OD1-CG 3.29Å; N297-E300 WeakPolarHBondContact OD1-CG 3.45Å; N297-E300 PolarHBondContact OD1-N 3.14Å; N297-E300 PolarHBondContact OD1-OE2 3.35Å; E300-A302 VanDerWaalsContact C-N 3.29Å; E300-A302 PolarHBondContact O-N 2.85Å; E300-K303 PolarHBondContact O-N 3.09Å; E300-K303 VanDerWaalsContact O-N 3.16Å; E300-F304 WeakPolarHBondContact O-CB 3.37Å; E300-F304 PolarHBondContact O-N 3.5Å |
| 301 | R | 87.9 | Confident | 87.7 | Confident | 27 Ų | 27 | 47.2 Ų | 47.2 | 10% | 0.102 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 177.4 | -174.4 | 168.2 | 66.6 | -123.6 | -6.8 | 111.2 | F296 N297 N298 F304 L305 Y342 E346 | F296-R301 HydrophobicContact CB-CB 3.94Å; N297-R301 WeakPolarHBondContact O-CB 3.38Å; N297-R301 PolarHBondContact O-N 3.11Å; N298-R301 PolarHBondContact OD1-NH1 3.35Å; N298-R301 PolarHBondContact OD1-NH2 3.49Å; R301-F304 PolarHBondContact O-N 3.41Å; R301-L305 WeakPolarHBondContact O-CB 3.48Å; R301-L305 PolarHBondContact O-N 3.43Å; R301-Y342 HydrophobicContact CG-CD1 4.11Å; R301-Y342 HydrophobicContact CG-CE1 3.82Å; R301-E346 IonicContact CZ-OE1 3.76Å; R301-E346 IonicContact NE-OE1 2.81Å; R301-E346 PolarHBondContact NE-OE1 3Å; R301-E346 IonicContact NE-OE2 3.27Å; R301-E346 IonicContact NH2-OE1 3.88Å; R301-E346 PolarHBondContact NH2-OE1 2.94Å |
| 302 | A | 87.7 | Confident | 88 | Confident | 58 Ų | 58 | 47.2 Ų | 47.2 | 48% | 0.479 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N298 A299 E300 S306 | N298-A302 PolarHBondContact O-N 3.3Å; A299-A302 PolarHBondContact O-N 2.96Å; E300-A302 VanDerWaalsContact C-N 3.29Å; E300-A302 PolarHBondContact O-N 2.85Å; A302-S306 WeakPolarHBondContact O-CB 3.38Å; A302-S306 PolarHBondContact O-N 2.96Å |
| 303 | K | 89.1 | Confident | 88.6 | Confident | 148 Ų | 148 | 43.1 Ų | 43.1 | 64% | 0.643 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -62.8 | -49.2 | 176.3 | -70.1 | -178.6 | -179.6 | -175.9 | 0 | 112.1 | A299 E300 L305 S306 H307 | A299-K303 PolarHBondContact O-N 2.98Å; E300-K303 PolarHBondContact O-N 3.09Å; E300-K303 VanDerWaalsContact O-N 3.16Å; K303-L305 PolarHBondContact O-N 2.84Å; K303-S306 PolarHBondContact O-N 3.39Å; K303-H307 PolarHBondContact O-N 3.25Å; K303-H307 VanDerWaalsContact O-N 3.17Å; K303-H307 PolarHBondContact O-ND1 3.37Å |
| 304 | F | 90.9 | Very high | 89.1 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 7% | 0.066 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.1 | -46.4 | 179 | -178.5 | -93.3 | 0 | 0 | 0 | 111.5 | F257 L263 I288 F296 E300 R301 S306 H307 L308 Y342 | F257-F304 WeakPolarHBondContact O-CD2 3.38Å; L263-F304 HydrophobicContact CD2-CE2 4.24Å; I288-F304 HydrophobicContact CG2-CE2 4.32Å; I288-F304 HydrophobicContact CG2-CZ 3.78Å; F296-F304 HydrophobicContact CE2-CD1 4.29Å; F296-F304 HydrophobicContact CE2-CE1 4.49Å; F296-F304 HydrophobicContact CE2-CG 4.47Å; F296-F304 HydrophobicContact CZ-CD1 4.42Å; F296-F304 HydrophobicContact CZ-CD2 4.21Å; F296-F304 HydrophobicContact CZ-CE2 4.34Å; F296-F304 HydrophobicContact CZ-CG 4.24Å; E300-F304 WeakPolarHBondContact O-CB 3.37Å; E300-F304 PolarHBondContact O-N 3.5Å; R301-F304 PolarHBondContact O-N 3.41Å; F304-S306 VanDerWaalsContact C-N 3.33Å; F304-S306 PolarHBondContact O-N 3.36Å; F304-H307 PolarHBondContact O-N 2.83Å; F304-L308 HydrophobicContact CE1-CD2 4.46Å; F304-L308 PolarHBondContact O-N 3.15Å; F304-Y342 VanDerWaalsContact CD1-OH 3.26Å; F304-Y342 WeakPolarHBondContact CD1-OH 3.48Å; F304-Y342 WeakPolarHBondContact CE1-OH 3.48Å |
| 305 | L | 90.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.4 | -40.6 | 177.9 | -175.9 | 59.4 | 0 | 0 | 0 | 112.1 | R301 K303 L308 V309 Y342 E346 L347 V350 | R301-L305 WeakPolarHBondContact O-CB 3.48Å; R301-L305 PolarHBondContact O-N 3.43Å; K303-L305 PolarHBondContact O-N 2.84Å; L305-L308 PolarHBondContact O-N 3.03Å; L305-V309 HydrophobicContact CD1-CG2 4.13Å; L305-V309 HydrophobicContact CG-CG2 4.38Å; L305-V309 WeakPolarHBondContact O-CB 3.37Å; L305-V309 VanDerWaalsContact O-CG2 3.28Å; L305-V309 WeakPolarHBondContact O-CG2 3.43Å; L305-V309 PolarHBondContact O-N 3.37Å; L305-Y342 HydrophobicContact CD1-CD1 4.17Å; L305-Y342 HydrophobicContact CD1-CD2 3.66Å; L305-Y342 HydrophobicContact CD1-CE1 4.47Å; L305-Y342 HydrophobicContact CD1-CE2 4Å; L305-Y342 HydrophobicContact CD1-CG 3.76Å; L305-Y342 HydrophobicContact CD2-CD1 4.26Å; L305-Y342 HydrophobicContact CD2-CG 4.24Å; L305-E346 HydrophobicContact CD2-CB 4.09Å; L305-L347 HydrophobicContact CD1-CD2 3.85Å; L305-L347 HydrophobicContact CD2-CD2 4.11Å; L305-L347 HydrophobicContact CG-CD2 4.35Å; L305-V350 HydrophobicContact CD2-CG2 4.07Å; L305-V350 HydrophobicContact CG-CG2 4Å |
| 306 | S | 91.6 | Very high | 90 | Very high | 48 Ų | 48 | 41.3 Ų | 41.3 | 34% | 0.336 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 176.6 | 173.8 | 0 | 0 | 0 | 0 | 112.3 | A302 K303 F304 V309 D310 | A302-S306 WeakPolarHBondContact O-CB 3.38Å; A302-S306 PolarHBondContact O-N 2.96Å; K303-S306 PolarHBondContact O-N 3.39Å; F304-S306 VanDerWaalsContact C-N 3.33Å; F304-S306 PolarHBondContact O-N 3.36Å; S306-V309 PolarHBondContact O-N 3.07Å; S306-D310 WeakPolarHBondContact O-CB 2.96Å; S306-D310 PolarHBondContact O-N 3.33Å |
| 307 | H | 91 | Very high | 90.3 | Very high | 78 Ų | 78 | 45.9 Ų | 45.9 | 36% | 0.361 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67 | -38.5 | 176.4 | -69.1 | 75.9 | 0 | 0 | 0 | 112.1 | L263 K303 F304 D310 G311 | L263-H307 HydrophobicContact CD2-CB 3.89Å; K303-H307 PolarHBondContact O-N 3.25Å; K303-H307 VanDerWaalsContact O-N 3.17Å; K303-H307 PolarHBondContact O-ND1 3.37Å; F304-H307 PolarHBondContact O-N 2.83Å; H307-D310 PolarHBondContact O-N 3.49Å; H307-G311 PolarHBondContact O-N 3.39Å |
| 308 | L | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 177.2 | -177.2 | 65.4 | 0 | 0 | 0 | 111.7 | L263 F267 A289 F304 L305 G311 V312 L338 Y342 | L263-L308 HydrophobicContact CD1-CD1 4.27Å; L263-L308 HydrophobicContact CD2-CB 4.15Å; F267-L308 HydrophobicContact CE2-CD1 4.37Å; F267-L308 HydrophobicContact CZ-CD1 4.15Å; A289-L308 HydrophobicContact CB-CD1 4.21Å; A289-L308 HydrophobicContact CB-CD2 3.93Å; F304-L308 HydrophobicContact CE1-CD2 4.46Å; F304-L308 PolarHBondContact O-N 3.15Å; L305-L308 PolarHBondContact O-N 3.03Å; L308-G311 PolarHBondContact O-N 3.01Å; L308-V312 WeakPolarHBondContact O-CG2 3.17Å; L308-V312 PolarHBondContact O-N 3.45Å; L308-L338 HydrophobicContact CD2-CD2 3.68Å; L308-L338 HydrophobicContact CG-CD2 3.95Å; L308-Y342 HydrophobicContact CD2-CE2 4.2Å |
| 309 | V | 93.2 | Very high | 90.3 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -38.7 | 177.8 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | L305 S306 V312 K313 L347 V350 V356 | L305-V309 HydrophobicContact CD1-CG2 4.13Å; L305-V309 HydrophobicContact CG-CG2 4.38Å; L305-V309 WeakPolarHBondContact O-CB 3.37Å; L305-V309 VanDerWaalsContact O-CG2 3.28Å; L305-V309 WeakPolarHBondContact O-CG2 3.43Å; L305-V309 PolarHBondContact O-N 3.37Å; S306-V309 PolarHBondContact O-N 3.07Å; V309-V312 PolarHBondContact O-N 2.95Å; V309-K313 WeakPolarHBondContact O-CB 3.46Å; V309-K313 PolarHBondContact O-N 3.35Å; V309-L347 HydrophobicContact CG2-CD2 4.48Å; V309-V350 HydrophobicContact CB-CG1 4.13Å; V309-V350 HydrophobicContact CG1-CG1 3.98Å; V309-V356 HydrophobicContact CG1-CB 4.18Å; V309-V356 HydrophobicContact CG1-CG1 4.18Å; V309-V356 HydrophobicContact CG1-CG2 3.79Å |
| 310 | D | 92.6 | Very high | 90 | Very high | 39 Ų | 39 | 47.9 Ų | 47.9 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -42.2 | 175.1 | -165.8 | 62.8 | 0 | 0 | 0 | 112.2 | S306 H307 V312 K313 R314 N352 | S306-D310 WeakPolarHBondContact O-CB 2.96Å; S306-D310 PolarHBondContact O-N 3.33Å; H307-D310 PolarHBondContact O-N 3.49Å; D310-V312 PolarHBondContact O-N 3.3Å; D310-K313 VanDerWaalsContact O-CB 3.3Å; D310-K313 WeakPolarHBondContact O-CB 3.26Å; D310-K313 PolarHBondContact O-N 3.43Å; D310-R314 WeakPolarHBondContact O-CG 3.22Å; D310-R314 PolarHBondContact O-N 3.04Å; D310-R314 VanDerWaalsContact O-N 3.08Å; D310-R314 IonicContact OD2-CZ 2.82Å; D310-R314 VanDerWaalsContact OD2-CZ 3.32Å; D310-R314 IonicContact OD2-NE 3.32Å; D310-R314 PolarHBondContact OD2-NE 3.11Å; D310-R314 VanDerWaalsContact OD2-NE 3.13Å; D310-R314 IonicContact OD2-NH2 3.67Å; D310-R314 PolarHBondContact OD2-NH2 3.26Å; D310-N352 PolarHBondContact OD1-ND2 3.46Å |
| 311 | G | 91.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H307 L308 K313 R314 I315 | H307-G311 PolarHBondContact O-N 3.39Å; L308-G311 PolarHBondContact O-N 3.01Å; G311-K313 VanDerWaalsContact C-N 3.33Å; G311-K313 PolarHBondContact O-N 3.26Å; G311-R314 PolarHBondContact O-N 3.33Å; G311-I315 WeakPolarHBondContact O-CG1 3.48Å; G311-I315 PolarHBondContact O-N 2.83Å |
| 312 | V | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -40.7 | 173.1 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | L308 V309 D310 R314 I315 L316 F331 L334 L335 L338 | L308-V312 WeakPolarHBondContact O-CG2 3.17Å; L308-V312 PolarHBondContact O-N 3.45Å; V309-V312 PolarHBondContact O-N 2.95Å; D310-V312 PolarHBondContact O-N 3.3Å; V312-R314 PolarHBondContact O-N 2.7Å; V312-I315 PolarHBondContact O-N 3.01Å; V312-L316 HydrophobicContact CG1-CD1 3.92Å; V312-L316 WeakPolarHBondContact O-CG 3.11Å; V312-L316 PolarHBondContact O-N 3.2Å; V312-L316 VanDerWaalsContact O-N 3.1Å; V312-F331 HydrophobicContact CG1-CE2 4.42Å; V312-F331 HydrophobicContact CG1-CZ 4.19Å; V312-L334 HydrophobicContact CG2-CD2 4.2Å; V312-L334 HydrophobicContact CG2-CG 4.48Å; V312-L335 HydrophobicContact CG1-CD2 3.59Å; V312-L338 HydrophobicContact CG1-CD1 4.42Å; V312-L338 HydrophobicContact CG2-CD1 4.41Å |
| 313 | K | 94.3 | Very high | 89.4 | Confident | 27 Ų | 27 | 47.7 Ų | 47.7 | 12% | 0.117 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56 | -50.9 | 175.6 | -172.7 | -178 | 156.5 | 177.9 | 0 | 111.3 | V309 D310 G311 I315 L316 E317 N352 E355 V356 L359 | V309-K313 WeakPolarHBondContact O-CB 3.46Å; V309-K313 PolarHBondContact O-N 3.35Å; D310-K313 VanDerWaalsContact O-CB 3.3Å; D310-K313 WeakPolarHBondContact O-CB 3.26Å; D310-K313 PolarHBondContact O-N 3.43Å; G311-K313 VanDerWaalsContact C-N 3.33Å; G311-K313 PolarHBondContact O-N 3.26Å; K313-I315 VanDerWaalsContact C-N 3.29Å; K313-I315 PolarHBondContact O-N 3.31Å; K313-L316 WeakPolarHBondContact O-CB 3.39Å; K313-L316 PolarHBondContact O-N 3.1Å; K313-E317 WeakPolarHBondContact CE-OE1 3.19Å; K313-E317 HydrophobicContact CG-CG 4.42Å; K313-E317 IonicContact NZ-OE1 3.06Å; K313-E317 WeakPolarHBondContact O-CG 3.26Å; K313-E317 PolarHBondContact O-N 2.87Å; K313-N352 HydrophobicContact CD-CB 4.48Å; K313-E355 VanDerWaalsContact CE-CD 3.5Å; K313-E355 WeakPolarHBondContact CE-OE2 3.21Å; K313-E355 IonicContact NZ-OE1 2.75Å; K313-E355 PolarHBondContact NZ-OE1 3.38Å; K313-E355 IonicContact NZ-OE2 3.25Å; K313-E355 PolarHBondContact NZ-OE2 3.13Å; K313-V356 HydrophobicContact CB-CG2 3.61Å; K313-V356 HydrophobicContact CD-CG2 4.05Å; K313-V356 HydrophobicContact CG-CG2 3.82Å; K313-L359 HydrophobicContact CG-CD1 4.12Å |
| 314 | R | 92.1 | Very high | 89.2 | Confident | 95 Ų | 95 | 42.5 Ų | 42.5 | 36% | 0.358 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.1 | -39.1 | -178.7 | -67.1 | 179.3 | -163 | -176.2 | 5.6 | 112.6 | D310 G311 V312 E317 N318 | D310-R314 WeakPolarHBondContact O-CG 3.22Å; D310-R314 PolarHBondContact O-N 3.04Å; D310-R314 VanDerWaalsContact O-N 3.08Å; D310-R314 IonicContact OD2-CZ 2.82Å; D310-R314 VanDerWaalsContact OD2-CZ 3.32Å; D310-R314 IonicContact OD2-NE 3.32Å; D310-R314 PolarHBondContact OD2-NE 3.11Å; D310-R314 VanDerWaalsContact OD2-NE 3.13Å; D310-R314 IonicContact OD2-NH2 3.67Å; D310-R314 PolarHBondContact OD2-NH2 3.26Å; G311-R314 PolarHBondContact O-N 3.33Å; V312-R314 PolarHBondContact O-N 2.7Å; R314-E317 PolarHBondContact O-N 2.99Å; R314-N318 PolarHBondContact O-N 3.4Å |
| 315 | I | 92.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.2 | -41.2 | 175.9 | -63 | 176.7 | 0 | 0 | 0 | 111 | F267 Y270 L282 G311 V312 K313 N318 L322 F331 | F267-I315 HydrophobicContact CD1-CD1 3.96Å; F267-I315 HydrophobicContact CD1-CG1 4.5Å; F267-I315 HydrophobicContact CE1-CD1 3.8Å; Y270-I315 HydrophobicContact CD1-CD1 3.96Å; Y270-I315 HydrophobicContact CD1-CG1 3.84Å; Y270-I315 HydrophobicContact CE1-CB 4.34Å; Y270-I315 HydrophobicContact CE1-CD1 3.98Å; Y270-I315 HydrophobicContact CE1-CG1 3.71Å; Y270-I315 HydrophobicContact CE1-CG2 3.89Å; Y270-I315 HydrophobicContact CG-CD1 4.44Å; L282-I315 HydrophobicContact CD2-CD1 4.14Å; G311-I315 WeakPolarHBondContact O-CG1 3.48Å; G311-I315 PolarHBondContact O-N 2.83Å; V312-I315 PolarHBondContact O-N 3.01Å; K313-I315 VanDerWaalsContact C-N 3.29Å; K313-I315 PolarHBondContact O-N 3.31Å; I315-N318 CarbonylContact O-C 3.42Å; I315-N318 VanDerWaalsContact O-C 3.25Å; I315-N318 PolarHBondContact O-N 2.97Å; I315-L322 HydrophobicContact CG2-CD1 4.23Å; I315-L322 HydrophobicContact CG2-CD2 4.38Å; I315-L322 HydrophobicContact CG2-CG 4.48Å; I315-F331 HydrophobicContact CB-CE2 3.91Å; I315-F331 HydrophobicContact CB-CZ 4.29Å; I315-F331 HydrophobicContact CD1-CD2 4.29Å; I315-F331 HydrophobicContact CD1-CE2 4.06Å; I315-F331 HydrophobicContact CG2-CD2 3.86Å; I315-F331 HydrophobicContact CG2-CE1 4.46Å; I315-F331 HydrophobicContact CG2-CE2 3.55Å; I315-F331 HydrophobicContact CG2-CG 4.46Å; I315-F331 HydrophobicContact CG2-CZ 3.89Å |
| 316 | L | 91.8 | Very high | 88.8 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.8 | -31.6 | 178.4 | -71.3 | 166.6 | 0 | 0 | 0 | 113.2 | V312 K313 N318 F331 L359 I360 F363 | V312-L316 HydrophobicContact CG1-CD1 3.92Å; V312-L316 WeakPolarHBondContact O-CG 3.11Å; V312-L316 PolarHBondContact O-N 3.2Å; V312-L316 VanDerWaalsContact O-N 3.1Å; K313-L316 WeakPolarHBondContact O-CB 3.39Å; K313-L316 PolarHBondContact O-N 3.1Å; L316-N318 VanDerWaalsContact C-N 3.3Å; L316-F331 HydrophobicContact CD2-CE1 3.64Å; L316-F331 HydrophobicContact CD2-CZ 3.83Å; L316-F331 HydrophobicContact CG-CE1 4.2Å; L316-F331 HydrophobicContact CG-CZ 3.84Å; L316-L359 HydrophobicContact CB-CB 3.98Å; L316-L359 HydrophobicContact CB-CD1 4.09Å; L316-L359 HydrophobicContact CD1-CB 3.82Å; L316-L359 HydrophobicContact CG-CB 4.41Å; L316-I360 HydrophobicContact CD1-CG1 3.64Å; L316-F363 HydrophobicContact CD2-CB 3.85Å; L316-F363 HydrophobicContact CD2-CD2 4.3Å; L316-F363 HydrophobicContact CD2-CG 3.97Å |
| 317 | E | 90.3 | Very high | 88.6 | Confident | 104 Ų | 104 | 47.2 Ų | 47.2 | 49% | 0.486 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -70.9 | -25.6 | 175.3 | -72.4 | 176.3 | 152.1 | 0 | 0 | 112.5 | K313 R314 L359 | K313-E317 WeakPolarHBondContact CE-OE1 3.19Å; K313-E317 HydrophobicContact CG-CG 4.42Å; K313-E317 IonicContact NZ-OE1 3.06Å; K313-E317 WeakPolarHBondContact O-CG 3.26Å; K313-E317 PolarHBondContact O-N 2.87Å; R314-E317 PolarHBondContact O-N 2.99Å; E317-L359 HydrophobicContact CG-CD1 4.02Å |
| 318 | N | 86.9 | Confident | 88.6 | Confident | 80 Ų | 80 | 44.2 Ų | 44.2 | 43% | 0.428 | 24% | 0.236 | S | C | . | . | trans | -128.1 | 75.5 | 177.9 | -163.8 | -3.9 | 0 | 0 | 0 | 112.5 | R314 I315 L316 Q320 | R314-N318 PolarHBondContact O-N 3.4Å; I315-N318 CarbonylContact O-C 3.42Å; I315-N318 VanDerWaalsContact O-C 3.25Å; I315-N318 PolarHBondContact O-N 2.97Å; L316-N318 VanDerWaalsContact C-N 3.3Å; N318-Q320 PolarHBondContact O-N 3.46Å; N318-Q320 VanDerWaalsContact O-N 3.12Å | ||
| 319 | P | 81.9 | Confident | 88.5 | Confident | 68 Ų | 68 | 46.7 Ų | 46.7 | 44% | 0.442 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -78.7 | 8.2 | -170.1 | 32.7 | -37.1 | 0 | 0 | 0 | 114.7 | S321 L322 | P319-S321 VanDerWaalsContact C-N 3.31Å; P319-S321 PolarHBondContact O-N 3.18Å; P319-L322 HydrophobicContact CB-CD1 4.19Å; P319-L322 WeakPolarHBondContact O-CB 3.44Å; P319-L322 PolarHBondContact O-N 3.46Å |
| 320 | Q | 80.1 | Confident | 88.3 | Confident | 150 Ų | 150 | 47.4 Ų | 47.4 | 70% | 0.701 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -56.2 | -41.9 | -173.2 | -66.8 | -177.6 | -6 | 0 | 0 | 113 | N318 L322 S323 | N318-Q320 PolarHBondContact O-N 3.46Å; N318-Q320 VanDerWaalsContact O-N 3.12Å; Q320-L322 PolarHBondContact O-N 2.93Å; Q320-S323 WeakPolarHBondContact O-CB 3.3Å; Q320-S323 PolarHBondContact O-N 3.4Å; Q320-S323 PolarHBondContact O-OG 3.04Å |
| 321 | S | 81.1 | Confident | 88.4 | Confident | 24 Ų | 24 | 45.5 Ų | 45.5 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -70.1 | -15.6 | 178 | -60.1 | 0 | 0 | 0 | 0 | 114 | Y270 P319 S323 N327 | Y270-S321 WeakPolarHBondContact OH-CB 3.42Å; P319-S321 VanDerWaalsContact C-N 3.31Å; P319-S321 PolarHBondContact O-N 3.18Å; S321-S323 PolarHBondContact O-N 3.28Å; S321-N327 WeakPolarHBondContact O-CB 3.28Å; S321-N327 PolarHBondContact O-ND2 2.99Å |
| 322 | L | 84.4 | Confident | 88.4 | Confident | 11 Ų | 11 | 45.4 Ų | 45.4 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -81.6 | -0.6 | 176.5 | -57.9 | 177.2 | 0 | 0 | 0 | 113 | Y270 I315 P319 Q320 D324 N327 F331 F363 | Y270-L322 WeakPolarHBondContact OH-CD2 3.21Å; I315-L322 HydrophobicContact CG2-CD1 4.23Å; I315-L322 HydrophobicContact CG2-CD2 4.38Å; I315-L322 HydrophobicContact CG2-CG 4.48Å; P319-L322 HydrophobicContact CB-CD1 4.19Å; P319-L322 WeakPolarHBondContact O-CB 3.44Å; P319-L322 PolarHBondContact O-N 3.46Å; Q320-L322 PolarHBondContact O-N 2.93Å; L322-D324 PolarHBondContact O-N 2.99Å; L322-N327 HydrophobicContact CD2-CB 4.45Å; L322-F331 HydrophobicContact CD1-CD1 3.85Å; L322-F331 HydrophobicContact CD1-CE1 4.08Å; L322-F331 HydrophobicContact CD1-CG 4.45Å; L322-F331 HydrophobicContact CD2-CB 3.7Å; L322-F331 HydrophobicContact CD2-CD1 4.02Å; L322-F331 HydrophobicContact CD2-CG 3.85Å; L322-F363 HydrophobicContact CD1-CD2 4.46Å; L322-F363 HydrophobicContact CD1-CE2 3.79Å; L322-F363 HydrophobicContact CD1-CZ 4.35Å |
| 323 | S | 83.6 | Confident | 88.2 | Confident | 90 Ų | 90 | 47.8 Ų | 47.8 | 63% | 0.629 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -70.5 | -12 | 167.3 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | Q320 S321 F373 | Q320-S323 WeakPolarHBondContact O-CB 3.3Å; Q320-S323 PolarHBondContact O-N 3.4Å; Q320-S323 PolarHBondContact O-OG 3.04Å; S321-S323 PolarHBondContact O-N 3.28Å; S323-F373 WeakPolarHBondContact O-CZ 3.36Å |
| 324 | D | 84.9 | Confident | 88.1 | Confident | 39 Ų | 39 | 46.5 Ų | 46.5 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -85.8 | 128.3 | 169.2 | 179.3 | -88.8 | 0 | 0 | 0 | 110.4 | L322 N326 N327 Y328 | L322-D324 PolarHBondContact O-N 2.99Å; D324-N326 VanDerWaalsContact C-N 3.28Å; D324-N326 PolarHBondContact O-N 3.2Å; D324-N326 WeakPolarHBondContact OD1-CA 3.42Å; D324-N326 VanDerWaalsContact OD1-CB 3.28Å; D324-N326 WeakPolarHBondContact OD1-CB 3.3Å; D324-N326 PolarHBondContact OD1-N 3.5Å; D324-N327 HydrophobicContact CB-CB 4.21Å; D324-N327 PolarHBondContact O-N 2.78Å; D324-N327 PolarHBondContact OD1-N 3.33Å; D324-N327 VanDerWaalsContact OD1-N 3.11Å; D324-Y328 WeakPolarHBondContact O-CB 3.42Å; D324-Y328 PolarHBondContact O-N 2.82Å |
| 325 | P | 86.2 | Confident | 88.1 | Confident | 61 Ų | 61 | 42 Ų | 42 | 40% | 0.396 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.7 | -33.5 | -177.5 | -25.2 | 32.7 | 0 | 0 | 0 | 114.7 | H329 F373 | P325-H329 WeakPolarHBondContact O-CB 3.37Å; P325-H329 PolarHBondContact O-N 2.67Å; P325-F373 HydrophobicContact CB-CE1 4.38Å; P325-F373 HydrophobicContact CB-CZ 4.19Å; P325-F373 HydrophobicContact CG-CE1 4.3Å; P325-F373 HydrophobicContact CG-CE2 3.97Å; P325-F373 HydrophobicContact CG-CZ 3.63Å |
| 326 | N | 87.4 | Confident | 88 | Confident | 102 Ų | 102 | 42 Ų | 42 | 55% | 0.545 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -74.7 | -41.8 | -178.8 | -57.6 | -60.2 | 0 | 0 | 0 | 110.8 | P279 D324 Y328 H329 E330 | P279-N326 HydrophobicContact CB-CB 3.97Å; P279-N326 HydrophobicContact CG-CB 3.61Å; D324-N326 VanDerWaalsContact C-N 3.28Å; D324-N326 PolarHBondContact O-N 3.2Å; D324-N326 WeakPolarHBondContact OD1-CA 3.42Å; D324-N326 VanDerWaalsContact OD1-CB 3.28Å; D324-N326 WeakPolarHBondContact OD1-CB 3.3Å; D324-N326 PolarHBondContact OD1-N 3.5Å; N326-Y328 VanDerWaalsContact C-N 3.32Å; N326-H329 PolarHBondContact O-N 3.29Å; N326-E330 WeakPolarHBondContact O-CG 3.42Å; N326-E330 PolarHBondContact O-N 3.47Å |
| 327 | N | 88.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61 | -45 | 172.7 | -74.3 | -28 | 0 | 0 | 0 | 111.4 | P275 S278 P279 L282 S321 L322 D324 H329 E330 F331 | P275-N327 PolarHBondContact O-ND2 3.15Å; S278-N327 WeakPolarHBondContact CB-OD1 3.45Å; P279-N327 WeakPolarHBondContact CA-OD1 3.1Å; P279-N327 WeakPolarHBondContact CD-OD1 3.45Å; P279-N327 WeakPolarHBondContact CG-OD1 3.4Å; L282-N327 HydrophobicContact CD1-CB 4.09Å; L282-N327 VanDerWaalsContact CD1-O 3.25Å; L282-N327 WeakPolarHBondContact CD1-O 3.46Å; S321-N327 WeakPolarHBondContact O-CB 3.28Å; S321-N327 PolarHBondContact O-ND2 2.99Å; L322-N327 HydrophobicContact CD2-CB 4.45Å; D324-N327 HydrophobicContact CB-CB 4.21Å; D324-N327 PolarHBondContact O-N 2.78Å; D324-N327 PolarHBondContact OD1-N 3.33Å; D324-N327 VanDerWaalsContact OD1-N 3.11Å; N327-H329 VanDerWaalsContact C-N 3.34Å; N327-H329 PolarHBondContact O-N 3.06Å; N327-E330 PolarHBondContact O-N 3.1Å; N327-F331 VanDerWaalsContact O-CB 3.24Å; N327-F331 WeakPolarHBondContact O-CB 3.3Å; N327-F331 PolarHBondContact O-N 3.46Å |
| 328 | Y | 89.6 | Confident | 87.7 | Confident | 16 Ų | 16 | 38.1 Ų | 38.1 | 6% | 0.063 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.1 | -48.1 | 176.6 | 179.8 | -90.3 | 0 | 0 | 0 | 111.4 | D324 N326 F331 C332 F363 S367 F373 A374 | D324-Y328 WeakPolarHBondContact O-CB 3.42Å; D324-Y328 PolarHBondContact O-N 2.82Å; N326-Y328 VanDerWaalsContact C-N 3.32Å; Y328-F331 PolarHBondContact O-N 2.81Å; Y328-C332 PolarHBondContact O-N 3.28Å; Y328-C332 PolarHBondContact O-SG 2.83Å; Y328-F363 HydrophobicContact CD2-CE2 4.11Å; Y328-F363 AromaticContact CD2-CZ 3.74Å; Y328-F363 HydrophobicContact CD2-CZ 3.74Å; Y328-F363 HydrophobicContact CE2-CE1 4.17Å; Y328-F363 AromaticContact CE2-CE2 3.73Å; Y328-F363 HydrophobicContact CE2-CE2 3.73Å; Y328-F363 AromaticContact CE2-CZ 3.27Å; Y328-F363 HydrophobicContact CE2-CZ 3.27Å; Y328-S367 WeakPolarHBondContact CE2-OG 3.29Å; Y328-S367 WeakPolarHBondContact OH-CB 3.4Å; Y328-S367 PolarHBondContact OH-OG 3.36Å; Y328-F373 HydrophobicContact CD1-CD1 4.41Å; Y328-F373 HydrophobicContact CD1-CE1 4.47Å; Y328-F373 HydrophobicContact CD2-CE1 4.47Å; Y328-F373 HydrophobicContact CG-CD1 4.35Å; Y328-F373 HydrophobicContact CG-CE1 4.07Å; Y328-A374 HydrophobicContact CD1-CB 3.56Å; Y328-A374 HydrophobicContact CE1-CB 3.59Å |
| 329 | H | 90.1 | Very high | 87.6 | Confident | 52 Ų | 52 | 35.7 Ų | 35.7 | 24% | 0.241 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.5 | -51.6 | 178.3 | -174.8 | 79.2 | 0 | 0 | 0 | 112.8 | P325 N326 N327 F331 C332 R333 S377 Y380 | P325-H329 WeakPolarHBondContact O-CB 3.37Å; P325-H329 PolarHBondContact O-N 2.67Å; N326-H329 PolarHBondContact O-N 3.29Å; N327-H329 VanDerWaalsContact C-N 3.34Å; N327-H329 PolarHBondContact O-N 3.06Å; H329-F331 VanDerWaalsContact C-N 3.29Å; H329-F331 PolarHBondContact O-N 3.33Å; H329-C332 WeakPolarHBondContact O-CB 3.4Å; H329-C332 PolarHBondContact O-N 3.26Å; H329-R333 WeakPolarHBondContact O-CG 3.08Å; H329-R333 PolarHBondContact O-N 2.86Å; H329-S377 WeakPolarHBondContact CA-OG 3.28Å; H329-S377 PolarHBondContact ND1-OG 3.22Å; H329-Y380 AromaticContact CE1-CE2 3.62Å; H329-Y380 AromaticContact NE2-CE2 3.96Å |
| 330 | E | 90.4 | Very high | 87.6 | Confident | 19 Ų | 19 | 34.2 Ų | 34.2 | 9% | 0.089 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.8 | -33.3 | -179.2 | -69.9 | -62.4 | 124.1 | 0 | 0 | 112.4 | P279 L282 S283 V286 N326 N327 R333 L334 | P279-E330 HydrophobicContact CB-CG 4.46Å; L282-E330 HydrophobicContact CB-CB 3.53Å; L282-E330 HydrophobicContact CB-CG 4.5Å; L282-E330 HydrophobicContact CD1-CB 4.06Å; L282-E330 HydrophobicContact CG-CB 4.47Å; S283-E330 VanDerWaalsContact CA-OE2 3.29Å; S283-E330 WeakPolarHBondContact CA-OE2 3.3Å; S283-E330 WeakPolarHBondContact CB-OE2 3.43Å; S283-E330 PolarHBondContact OG-OE2 3.1Å; V286-E330 WeakPolarHBondContact CG2-O 3.36Å; N326-E330 WeakPolarHBondContact O-CG 3.42Å; N326-E330 PolarHBondContact O-N 3.47Å; N327-E330 PolarHBondContact O-N 3.1Å; E330-R333 VanDerWaalsContact CD-NH1 3.26Å; E330-R333 WeakPolarHBondContact O-CB 3.31Å; E330-R333 PolarHBondContact O-N 3.49Å; E330-R333 WeakPolarHBondContact OE1-CD 3.3Å; E330-R333 IonicContact OE1-CZ 3.84Å; E330-R333 IonicContact OE1-NE 2.7Å; E330-R333 IonicContact OE1-NH1 2.69Å; E330-R333 PolarHBondContact OE1-NH1 2.94Å; E330-R333 IonicContact OE2-CZ 2.76Å; E330-R333 IonicContact OE2-NH1 2.79Å; E330-R333 PolarHBondContact OE2-NH1 2.76Å; E330-L334 PolarHBondContact O-N 2.94Å |
| 331 | F | 93.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.5 | -40.9 | 174.7 | -173.5 | -111.4 | 0 | 0 | 0 | 112.2 | L282 V312 I315 L316 L322 N327 Y328 H329 R333 L334 L335 F363 | L282-F331 HydrophobicContact CD1-CB 4.15Å; L282-F331 HydrophobicContact CD2-CD2 4.22Å; V312-F331 HydrophobicContact CG1-CE2 4.42Å; V312-F331 HydrophobicContact CG1-CZ 4.19Å; I315-F331 HydrophobicContact CB-CE2 3.91Å; I315-F331 HydrophobicContact CB-CZ 4.29Å; I315-F331 HydrophobicContact CD1-CD2 4.29Å; I315-F331 HydrophobicContact CD1-CE2 4.06Å; I315-F331 HydrophobicContact CG2-CD2 3.86Å; I315-F331 HydrophobicContact CG2-CE1 4.46Å; I315-F331 HydrophobicContact CG2-CE2 3.55Å; I315-F331 HydrophobicContact CG2-CG 4.46Å; I315-F331 HydrophobicContact CG2-CZ 3.89Å; L316-F331 HydrophobicContact CD2-CE1 3.64Å; L316-F331 HydrophobicContact CD2-CZ 3.83Å; L316-F331 HydrophobicContact CG-CE1 4.2Å; L316-F331 HydrophobicContact CG-CZ 3.84Å; L322-F331 HydrophobicContact CD1-CD1 3.85Å; L322-F331 HydrophobicContact CD1-CE1 4.08Å; L322-F331 HydrophobicContact CD1-CG 4.45Å; L322-F331 HydrophobicContact CD2-CB 3.7Å; L322-F331 HydrophobicContact CD2-CD1 4.02Å; L322-F331 HydrophobicContact CD2-CG 3.85Å; N327-F331 VanDerWaalsContact O-CB 3.24Å; N327-F331 WeakPolarHBondContact O-CB 3.3Å; N327-F331 PolarHBondContact O-N 3.46Å; Y328-F331 PolarHBondContact O-N 2.81Å; H329-F331 VanDerWaalsContact C-N 3.29Å; H329-F331 PolarHBondContact O-N 3.33Å; F331-R333 VanDerWaalsContact C-N 3.29Å; F331-R333 PolarHBondContact O-N 3.32Å; F331-L334 HydrophobicContact CD2-CD2 4.2Å; F331-L334 HydrophobicContact CE2-CD2 4.35Å; F331-L334 WeakPolarHBondContact O-CB 3.39Å; F331-L334 PolarHBondContact O-N 3.17Å; F331-L334 VanDerWaalsContact O-N 3.1Å; F331-L335 HydrophobicContact CD1-CD1 4.13Å; F331-L335 HydrophobicContact CD1-CG 4.36Å; F331-L335 HydrophobicContact CE1-CD1 3.69Å; F331-L335 HydrophobicContact CE1-CD2 4.25Å; F331-L335 HydrophobicContact CE1-CG 3.97Å; F331-L335 HydrophobicContact CE2-CD2 4.46Å; F331-L335 HydrophobicContact CZ-CD1 4.22Å; F331-L335 HydrophobicContact CZ-CD2 3.91Å; F331-L335 HydrophobicContact CZ-CG 4.06Å; F331-L335 WeakPolarHBondContact O-CG 3.28Å; F331-L335 PolarHBondContact O-N 3.33Å; F331-F363 HydrophobicContact CD1-CE1 4.11Å; F331-F363 AromaticContact CD1-CZ 3.93Å; F331-F363 HydrophobicContact CD1-CZ 3.93Å; F331-F363 HydrophobicContact CE1-CE1 4.24Å; F331-F363 HydrophobicContact CE1-CZ 4.29Å |
| 332 | C | 91.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59 | -40.9 | 171.7 | -71.6 | 0 | 0 | 0 | 0 | 111.7 | Y328 H329 L335 A336 L381 | Y328-C332 PolarHBondContact O-N 3.28Å; Y328-C332 PolarHBondContact O-SG 2.83Å; H329-C332 WeakPolarHBondContact O-CB 3.4Å; H329-C332 PolarHBondContact O-N 3.26Å; C332-L335 PolarHBondContact O-N 3.43Å; C332-A336 PolarHBondContact O-N 3.2Å; C332-A336 VanDerWaalsContact O-N 3.1Å; C332-L381 HydrophobicContact CB-CD2 4.2Å; C332-L381 HydrophobicContact CB-CG 4.33Å |
| 333 | R | 90.6 | Very high | 87.8 | Confident | 50 Ų | 50 | 31.2 Ų | 31.2 | 19% | 0.189 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 172.2 | -67.2 | 175.6 | 74.5 | -155.7 | 4.5 | 111.4 | V286 H329 E330 F331 L335 A336 R337 Y380 | V286-R333 HydrophobicContact CG1-CB 4.31Å; V286-R333 HydrophobicContact CG2-CB 3.92Å; H329-R333 WeakPolarHBondContact O-CG 3.08Å; H329-R333 PolarHBondContact O-N 2.86Å; E330-R333 VanDerWaalsContact CD-NH1 3.26Å; E330-R333 WeakPolarHBondContact O-CB 3.31Å; E330-R333 PolarHBondContact O-N 3.49Å; E330-R333 WeakPolarHBondContact OE1-CD 3.3Å; E330-R333 IonicContact OE1-CZ 3.84Å; E330-R333 IonicContact OE1-NE 2.7Å; E330-R333 IonicContact OE1-NH1 2.69Å; E330-R333 PolarHBondContact OE1-NH1 2.94Å; E330-R333 IonicContact OE2-CZ 2.76Å; E330-R333 IonicContact OE2-NH1 2.79Å; E330-R333 PolarHBondContact OE2-NH1 2.76Å; F331-R333 VanDerWaalsContact C-N 3.29Å; F331-R333 PolarHBondContact O-N 3.32Å; R333-L335 PolarHBondContact O-N 2.81Å; R333-A336 PolarHBondContact O-N 2.77Å; R333-R337 WeakPolarHBondContact O-CG 3.26Å; R333-R337 PolarHBondContact O-N 3.38Å; R333-Y380 HydrophobicContact CG-CD1 4.22Å; R333-Y380 HydrophobicContact CG-CD2 3.84Å; R333-Y380 HydrophobicContact CG-CE1 3.93Å; R333-Y380 HydrophobicContact CG-CE2 3.53Å; R333-Y380 HydrophobicContact CG-CG 4.18Å |
| 334 | L | 92.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 179.1 | 177.9 | 61.5 | 0 | 0 | 0 | 111.5 | L282 L285 V286 A289 V312 E330 F331 A336 R337 | L282-L334 HydrophobicContact CD2-CD2 4.39Å; L285-L334 HydrophobicContact CB-CD1 4.19Å; L285-L334 HydrophobicContact CB-CD2 4.18Å; V286-L334 HydrophobicContact CG2-CB 3.86Å; A289-L334 HydrophobicContact CB-CD1 3.59Å; V312-L334 HydrophobicContact CG2-CD2 4.2Å; V312-L334 HydrophobicContact CG2-CG 4.48Å; E330-L334 PolarHBondContact O-N 2.94Å; F331-L334 HydrophobicContact CD2-CD2 4.2Å; F331-L334 HydrophobicContact CE2-CD2 4.35Å; F331-L334 WeakPolarHBondContact O-CB 3.39Å; F331-L334 PolarHBondContact O-N 3.17Å; F331-L334 VanDerWaalsContact O-N 3.1Å; L334-A336 VanDerWaalsContact C-N 3.34Å; L334-A336 PolarHBondContact O-N 3.03Å; L334-R337 WeakPolarHBondContact O-CB 3.5Å; L334-R337 PolarHBondContact O-N 3.44Å; L334-R337 VanDerWaalsContact O-N 3.08Å |
| 335 | L | 92.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.6 | -44.7 | 176.8 | -70.3 | -177.6 | 0 | 0 | 0 | 111.7 | V312 F331 C332 R333 R337 L338 I360 F363 L381 L384 | V312-L335 HydrophobicContact CG1-CD2 3.59Å; F331-L335 HydrophobicContact CD1-CD1 4.13Å; F331-L335 HydrophobicContact CD1-CG 4.36Å; F331-L335 HydrophobicContact CE1-CD1 3.69Å; F331-L335 HydrophobicContact CE1-CD2 4.25Å; F331-L335 HydrophobicContact CE1-CG 3.97Å; F331-L335 HydrophobicContact CE2-CD2 4.46Å; F331-L335 HydrophobicContact CZ-CD1 4.22Å; F331-L335 HydrophobicContact CZ-CD2 3.91Å; F331-L335 HydrophobicContact CZ-CG 4.06Å; F331-L335 WeakPolarHBondContact O-CG 3.28Å; F331-L335 PolarHBondContact O-N 3.33Å; C332-L335 PolarHBondContact O-N 3.43Å; R333-L335 PolarHBondContact O-N 2.81Å; L335-R337 PolarHBondContact O-N 3.07Å; L335-L338 HydrophobicContact CD2-CD1 4.12Å; L335-L338 WeakPolarHBondContact O-CB 3.42Å; L335-L338 PolarHBondContact O-N 3.49Å; L335-I360 HydrophobicContact CD2-CD1 4Å; L335-I360 HydrophobicContact CD2-CG1 4.05Å; L335-F363 HydrophobicContact CD1-CD1 3.98Å; L335-F363 HydrophobicContact CD1-CE1 4.01Å; L335-L381 HydrophobicContact CD1-CD2 3.85Å; L335-L384 HydrophobicContact CB-CD2 3.99Å; L335-L384 WeakPolarHBondContact O-CD1 3.37Å |
| 336 | A | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.5 | -32.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L244 C332 R333 L334 L338 S340 Y380 | L244-A336 HydrophobicContact CD2-CB 3.93Å; C332-A336 PolarHBondContact O-N 3.2Å; C332-A336 VanDerWaalsContact O-N 3.1Å; R333-A336 PolarHBondContact O-N 2.77Å; L334-A336 VanDerWaalsContact C-N 3.34Å; L334-A336 PolarHBondContact O-N 3.03Å; A336-L338 VanDerWaalsContact C-N 3.34Å; A336-L338 PolarHBondContact O-N 2.92Å; A336-S340 PolarHBondContact O-N 3.45Å; A336-S340 PolarHBondContact O-OG 3.37Å; A336-Y380 HydrophobicContact CB-CD1 4.19Å |
| 337 | R | 88.1 | Confident | 88.4 | Confident | 30 Ų | 30 | 20.5 Ų | 20.5 | 11% | 0.113 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69 | -27.5 | 178.9 | -63.5 | -56.5 | 176 | 160.4 | -4.8 | 114 | L244 C245 V286 A289 S290 R333 L334 L335 K339 S340 N341 | L244-R337 PolarHBondContact O-NH1 2.84Å; C245-R337 PolarHBondContact O-NH1 2.83Å; V286-R337 HydrophobicContact CG1-CG 4.12Å; A289-R337 HydrophobicContact CB-CB 4.03Å; S290-R337 WeakPolarHBondContact OG-CD 3.04Å; S290-R337 VanDerWaalsContact OG-CG 3.3Å; S290-R337 WeakPolarHBondContact OG-CG 3.04Å; S290-R337 PolarHBondContact OG-NE 3.3Å; R333-R337 WeakPolarHBondContact O-CG 3.26Å; R333-R337 PolarHBondContact O-N 3.38Å; L334-R337 WeakPolarHBondContact O-CB 3.5Å; L334-R337 PolarHBondContact O-N 3.44Å; L334-R337 VanDerWaalsContact O-N 3.08Å; L335-R337 PolarHBondContact O-N 3.07Å; R337-K339 PolarHBondContact O-N 2.72Å; R337-S340 PolarHBondContact O-N 2.83Å; R337-N341 PolarHBondContact O-N 3.25Å |
| 338 | L | 86.8 | Confident | 88.5 | Confident | 8 Ų | 8 | 20.9 Ų | 20.9 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -54.6 | -49.9 | -179.9 | -66.3 | 176.2 | 0 | 0 | 0 | 112.1 | L308 V312 L335 A336 Y342 I360 | L308-L338 HydrophobicContact CD2-CD2 3.68Å; L308-L338 HydrophobicContact CG-CD2 3.95Å; V312-L338 HydrophobicContact CG1-CD1 4.42Å; V312-L338 HydrophobicContact CG2-CD1 4.41Å; L335-L338 HydrophobicContact CD2-CD1 4.12Å; L335-L338 WeakPolarHBondContact O-CB 3.42Å; L335-L338 PolarHBondContact O-N 3.49Å; A336-L338 VanDerWaalsContact C-N 3.34Å; A336-L338 PolarHBondContact O-N 2.92Å; L338-Y342 WeakPolarHBondContact O-CB 3.38Å; L338-Y342 WeakPolarHBondContact O-CD2 3.37Å; L338-Y342 PolarHBondContact O-N 2.94Å; L338-I360 HydrophobicContact CD1-CD1 4.4Å |
| 339 | K | 86.1 | Confident | 88.4 | Confident | 30 Ų | 30 | 26.4 Ų | 26.4 | 13% | 0.13 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -85.6 | -22.6 | -179.3 | -178.8 | 54.6 | -176.1 | 60.8 | 0 | 114 | R337 N341 Y342 L344 L347 L384 R387 L388 S391 | R337-K339 PolarHBondContact O-N 2.72Å; K339-N341 VanDerWaalsContact C-N 3.33Å; K339-Y342 VanDerWaalsContact O-O 3.07Å; K339-L344 HydrophobicContact CD-CB 4.46Å; K339-L347 HydrophobicContact CD-CD1 4.16Å; K339-L384 HydrophobicContact CB-CD1 3.54Å; K339-R387 WeakPolarHBondContact CE-O 3.49Å; K339-R387 HydrophobicContact CG-CB 3.7Å; K339-R387 PolarHBondContact NZ-O 3.4Å; K339-R387 VanDerWaalsContact NZ-O 3.1Å; K339-L388 HydrophobicContact CB-CD2 4.13Å; K339-L388 HydrophobicContact CB-CG 4.27Å; K339-L388 HydrophobicContact CD-CD2 3.75Å; K339-L388 HydrophobicContact CD-CG 4.41Å; K339-L388 HydrophobicContact CG-CD2 3.85Å; K339-L388 HydrophobicContact CG-CG 4Å; K339-S391 WeakPolarHBondContact CE-OG 3.26Å |
| 340 | S | 81 | Confident | 88.4 | Confident | 36 Ų | 36 | 24.5 Ų | 24.5 | 25% | 0.252 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -68.2 | -36.8 | -179.8 | -55 | 0 | 0 | 0 | 0 | 111.8 | A336 R337 R387 | A336-S340 PolarHBondContact O-N 3.45Å; A336-S340 PolarHBondContact O-OG 3.37Å; R337-S340 PolarHBondContact O-N 2.83Å; S340-R387 PolarHBondContact OG-NH1 3.49Å |
| 341 | N | 77.7 | Confident | 88.3 | Confident | 11 Ų | 11 | 32.2 Ų | 32.2 | 6% | 0.059 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -98.3 | -33.8 | -176 | -166.8 | 16.7 | 0 | 0 | 0 | 112.9 | A289 V291 R293 R337 K339 | A289-N341 PolarHBondContact O-ND2 3.05Å; V291-N341 PolarHBondContact O-ND2 2.95Å; V291-N341 PolarHBondContact O-OD1 3.37Å; R293-N341 PolarHBondContact N-OD1 3.48Å; R337-N341 PolarHBondContact O-N 3.25Å; K339-N341 VanDerWaalsContact C-N 3.33Å |
| 342 | Y | 85.1 | Confident | 88.1 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -109.8 | 145.3 | -176.4 | -56.3 | -79.1 | 0 | 0 | 0 | 112.4 | R301 F304 L305 L308 L338 K339 | R301-Y342 HydrophobicContact CG-CD1 4.11Å; R301-Y342 HydrophobicContact CG-CE1 3.82Å; F304-Y342 VanDerWaalsContact CD1-OH 3.26Å; F304-Y342 WeakPolarHBondContact CD1-OH 3.48Å; F304-Y342 WeakPolarHBondContact CE1-OH 3.48Å; L305-Y342 HydrophobicContact CD1-CD1 4.17Å; L305-Y342 HydrophobicContact CD1-CD2 3.66Å; L305-Y342 HydrophobicContact CD1-CE1 4.47Å; L305-Y342 HydrophobicContact CD1-CE2 4Å; L305-Y342 HydrophobicContact CD1-CG 3.76Å; L305-Y342 HydrophobicContact CD2-CD1 4.26Å; L305-Y342 HydrophobicContact CD2-CG 4.24Å; L308-Y342 HydrophobicContact CD2-CE2 4.2Å; L338-Y342 WeakPolarHBondContact O-CB 3.38Å; L338-Y342 WeakPolarHBondContact O-CD2 3.37Å; L338-Y342 PolarHBondContact O-N 2.94Å; K339-Y342 VanDerWaalsContact O-O 3.07Å |
| 343 | Q | 87.9 | Confident | 88.2 | Confident | 107 Ų | 107 | 35.4 Ų | 35.4 | 50% | 0.5 | 17% | 0.173 | S | C | . | . | trans | -75.9 | 148.8 | 178.3 | -73 | 173.4 | -26.8 | 0 | 0 | 110.6 | R293 G345 E346 L347 | R293-Q343 VanDerWaalsContact NH2-OE1 3.08Å; Q343-G345 VanDerWaalsContact C-N 3.29Å; Q343-G345 PolarHBondContact O-N 3.1Å; Q343-E346 HydrophobicContact CB-CG 4.13Å; Q343-E346 PolarHBondContact N-OE2 3.02Å; Q343-E346 VanDerWaalsContact N-OE2 3.15Å; Q343-E346 WeakPolarHBondContact O-CB 3.5Å; Q343-E346 PolarHBondContact O-N 2.88Å; Q343-L347 PolarHBondContact O-N 2.99Å | ||
| 344 | L | 88.4 | Confident | 88.2 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.5 | -43 | 178.8 | 178.1 | 56.1 | 0 | 0 | 0 | 111.5 | K339 E346 L347 V348 L388 S391 V392 V395 H401 L403 | K339-L344 HydrophobicContact CD-CB 4.46Å; L344-E346 PolarHBondContact O-N 3.32Å; L344-L347 PolarHBondContact O-N 3.28Å; L344-V348 HydrophobicContact CD1-CG2 3.74Å; L344-V348 HydrophobicContact CG-CG2 4.16Å; L344-V348 WeakPolarHBondContact O-CG2 3.48Å; L344-V348 PolarHBondContact O-N 3.11Å; L344-L388 HydrophobicContact CD1-CD2 3.81Å; L344-S391 VanDerWaalsContact CB-OG 3.3Å; L344-S391 WeakPolarHBondContact CB-OG 3.27Å; L344-S391 WeakPolarHBondContact CD2-OG 3.49Å; L344-V392 HydrophobicContact CD2-CG2 4.45Å; L344-V395 HydrophobicContact CB-CG2 4.05Å; L344-V395 HydrophobicContact CD2-CG2 3.45Å; L344-V395 VanDerWaalsContact CD2-CG2 3.45Å; L344-V395 HydrophobicContact CG-CG2 3.7Å; L344-H401 HydrophobicContact CD2-CB 4.49Å; L344-L403 HydrophobicContact CD2-CD1 3.67Å |
| 345 | G | 86.9 | Confident | 88.3 | Confident | 22 Ų | 22 | 39.4 Ų | 39.4 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.4 | -10.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q343 K349 | Q343-G345 VanDerWaalsContact C-N 3.29Å; Q343-G345 PolarHBondContact O-N 3.1Å; G345-K349 WeakPolarHBondContact O-CD 3.4Å; G345-K349 WeakPolarHBondContact O-CE 3.43Å; G345-K349 WeakPolarHBondContact O-CG 3.39Å |
| 346 | E | 87.9 | Confident | 88.4 | Confident | 31 Ų | 31 | 39.7 Ų | 39.7 | 15% | 0.145 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -93.7 | -38.4 | 171.5 | -57.6 | 177.6 | 141.4 | 0 | 0 | 111.3 | R293 R301 L305 Q343 L344 K349 | R293-E346 IonicContact CZ-OE1 2.82Å; R293-E346 IonicContact CZ-OE2 2.85Å; R293-E346 VanDerWaalsContact NH2-CD 3.33Å; R293-E346 IonicContact NH2-OE1 2.75Å; R293-E346 PolarHBondContact NH2-OE1 3.15Å; R293-E346 IonicContact NH2-OE2 3.01Å; R293-E346 PolarHBondContact NH2-OE2 3.07Å; R301-E346 IonicContact CZ-OE1 3.76Å; R301-E346 IonicContact NE-OE1 2.81Å; R301-E346 PolarHBondContact NE-OE1 3Å; R301-E346 IonicContact NE-OE2 3.27Å; R301-E346 IonicContact NH2-OE1 3.88Å; R301-E346 PolarHBondContact NH2-OE1 2.94Å; L305-E346 HydrophobicContact CD2-CB 4.09Å; Q343-E346 HydrophobicContact CB-CG 4.13Å; Q343-E346 PolarHBondContact N-OE2 3.02Å; Q343-E346 VanDerWaalsContact N-OE2 3.15Å; Q343-E346 WeakPolarHBondContact O-CB 3.5Å; Q343-E346 PolarHBondContact O-N 2.88Å; L344-E346 PolarHBondContact O-N 3.32Å; E346-K349 PolarHBondContact O-N 3.11Å |
| 347 | L | 90 | Very high | 88.6 | Confident | 10 Ų | 10 | 39.9 Ų | 39.9 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.8 | -45.1 | 176.9 | -71.2 | 167.8 | 0 | 0 | 0 | 111.5 | L305 V309 K339 Q343 L344 K349 V350 Y353 L388 | L305-L347 HydrophobicContact CD1-CD2 3.85Å; L305-L347 HydrophobicContact CD2-CD2 4.11Å; L305-L347 HydrophobicContact CG-CD2 4.35Å; V309-L347 HydrophobicContact CG2-CD2 4.48Å; K339-L347 HydrophobicContact CD-CD1 4.16Å; Q343-L347 PolarHBondContact O-N 2.99Å; L344-L347 PolarHBondContact O-N 3.28Å; L347-K349 PolarHBondContact O-N 3.31Å; L347-V350 WeakPolarHBondContact O-CB 3.41Å; L347-V350 WeakPolarHBondContact O-CG2 2.86Å; L347-V350 PolarHBondContact O-N 3.19Å; L347-V350 VanDerWaalsContact O-N 3.11Å; L347-Y353 HydrophobicContact CB-CD2 4.14Å; L347-Y353 HydrophobicContact CB-CE2 4.08Å; L347-Y353 WeakPolarHBondContact O-CB 3.5Å; L347-Y353 WeakPolarHBondContact O-CD2 3.48Å; L347-L388 HydrophobicContact CD1-CD2 4.4Å |
| 348 | V | 90.8 | Very high | 88.9 | Confident | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -20.5 | -177.6 | -166.3 | 0 | 0 | 0 | 0 | 112.4 | L344 V350 Y353 E399 P400 H401 | L344-V348 HydrophobicContact CD1-CG2 3.74Å; L344-V348 HydrophobicContact CG-CG2 4.16Å; L344-V348 WeakPolarHBondContact O-CG2 3.48Å; L344-V348 PolarHBondContact O-N 3.11Å; V348-V350 VanDerWaalsContact C-N 3.29Å; V348-V350 PolarHBondContact O-N 3.2Å; V348-Y353 HydrophobicContact CB-CD1 4.29Å; V348-Y353 HydrophobicContact CB-CE1 4.29Å; V348-Y353 HydrophobicContact CG1-CD1 3.97Å; V348-Y353 HydrophobicContact CG1-CE1 4.01Å; V348-Y353 HydrophobicContact CG2-CD1 4.37Å; V348-Y353 HydrophobicContact CG2-CE1 3.9Å; V348-Y353 HydrophobicContact CG2-CE2 4.41Å; V348-E399 HydrophobicContact CB-CB 4.4Å; V348-E399 HydrophobicContact CG1-CB 3.51Å; V348-E399 WeakPolarHBondContact CG1-O 3.47Å; V348-P400 VanDerWaalsContact CG1-O 3.23Å; V348-P400 WeakPolarHBondContact CG1-O 3.44Å; V348-H401 HydrophobicContact CG2-CB 3.97Å |
| 349 | K | 89.2 | Confident | 89.4 | Confident | 132 Ų | 132 | 43.8 Ų | 43.8 | 57% | 0.574 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -10 | 176.7 | -67.5 | -177.6 | 177.7 | -172.1 | 0 | 113.9 | G345 E346 L347 | G345-K349 WeakPolarHBondContact O-CD 3.4Å; G345-K349 WeakPolarHBondContact O-CE 3.43Å; G345-K349 WeakPolarHBondContact O-CG 3.39Å; E346-K349 PolarHBondContact O-N 3.11Å; L347-K349 PolarHBondContact O-N 3.31Å |
| 350 | V | 90.2 | Very high | 89.8 | Confident | 13 Ų | 13 | 42.8 Ų | 42.8 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -73.8 | 129 | 176.2 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | L305 V309 L347 V348 N352 Y353 | L305-V350 HydrophobicContact CD2-CG2 4.07Å; L305-V350 HydrophobicContact CG-CG2 4Å; V309-V350 HydrophobicContact CB-CG1 4.13Å; V309-V350 HydrophobicContact CG1-CG1 3.98Å; L347-V350 WeakPolarHBondContact O-CB 3.41Å; L347-V350 WeakPolarHBondContact O-CG2 2.86Å; L347-V350 PolarHBondContact O-N 3.19Å; L347-V350 VanDerWaalsContact O-N 3.11Å; V348-V350 VanDerWaalsContact C-N 3.29Å; V348-V350 PolarHBondContact O-N 3.2Å; V350-N352 VanDerWaalsContact C-N 3.26Å; V350-N352 PolarHBondContact O-N 3.3Å; V350-N352 VanDerWaalsContact O-N 3.14Å; V350-Y353 WeakPolarHBondContact O-CB 3.35Å; V350-Y353 PolarHBondContact O-N 2.9Å |
| 351 | E | 87.9 | Confident | 90.5 | Very high | 180 Ų | 180 | 41 Ų | 41 | 84% | 0.841 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -40.9 | -173.7 | -65 | -179.7 | 172.3 | 0 | 0 | 113.3 | Y353 | E351-Y353 VanDerWaalsContact C-N 3.34Å; E351-Y353 PolarHBondContact O-N 3.22Å |
| 352 | N | 89.5 | Confident | 91.3 | Very high | 55 Ų | 55 | 43.8 Ų | 43.8 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 4 | -178.4 | -65.6 | -18.7 | 0 | 0 | 0 | 114.3 | D310 K313 V350 E355 V356 | D310-N352 PolarHBondContact OD1-ND2 3.46Å; K313-N352 HydrophobicContact CD-CB 4.48Å; V350-N352 VanDerWaalsContact C-N 3.26Å; V350-N352 PolarHBondContact O-N 3.3Å; V350-N352 VanDerWaalsContact O-N 3.14Å; N352-E355 PolarHBondContact O-N 3.32Å; N352-V356 HydrophobicContact CB-CG2 4.47Å; N352-V356 WeakPolarHBondContact O-CG2 3.37Å; N352-V356 PolarHBondContact O-N 3.24Å; N352-V356 VanDerWaalsContact O-N 3.11Å |
| 353 | Y | 92.3 | Very high | 91.6 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 5% | 0.051 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.7 | -47.5 | -175 | 172.4 | -93.7 | 0 | 0 | 0 | 114.3 | L347 V348 V350 E351 E355 V356 I357 H401 | L347-Y353 HydrophobicContact CB-CD2 4.14Å; L347-Y353 HydrophobicContact CB-CE2 4.08Å; L347-Y353 WeakPolarHBondContact O-CB 3.5Å; L347-Y353 WeakPolarHBondContact O-CD2 3.48Å; V348-Y353 HydrophobicContact CB-CD1 4.29Å; V348-Y353 HydrophobicContact CB-CE1 4.29Å; V348-Y353 HydrophobicContact CG1-CD1 3.97Å; V348-Y353 HydrophobicContact CG1-CE1 4.01Å; V348-Y353 HydrophobicContact CG2-CD1 4.37Å; V348-Y353 HydrophobicContact CG2-CE1 3.9Å; V348-Y353 HydrophobicContact CG2-CE2 4.41Å; V350-Y353 WeakPolarHBondContact O-CB 3.35Å; V350-Y353 PolarHBondContact O-N 2.9Å; E351-Y353 VanDerWaalsContact C-N 3.34Å; E351-Y353 PolarHBondContact O-N 3.22Å; Y353-E355 PolarHBondContact O-N 3.36Å; Y353-V356 PolarHBondContact O-N 2.98Å; Y353-V356 VanDerWaalsContact O-N 3.15Å; Y353-I357 HydrophobicContact CD1-CG2 4.42Å; Y353-I357 HydrophobicContact CE1-CB 4.35Å; Y353-I357 HydrophobicContact CE1-CG2 4.02Å; Y353-I357 HydrophobicContact CE2-CB 4.22Å; Y353-I357 WeakPolarHBondContact O-CG2 3.38Å; Y353-I357 PolarHBondContact O-N 3.48Å; Y353-H401 WeakPolarHBondContact CE1-O 3.36Å; Y353-H401 PolarHBondContact OH-O 2.82Å |
| 354 | P | 92.2 | Very high | 91.9 | Very high | 64 Ų | 64 | 39.8 Ų | 39.8 | 42% | 0.416 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.2 | -35.2 | -176.8 | -25.3 | 35.5 | 0 | 0 | 0 | 113.4 | I357 R358 | P354-I357 WeakPolarHBondContact O-CG2 3.23Å; P354-R358 PolarHBondContact O-N 2.74Å |
| 355 | E | 93.3 | Very high | 92.1 | Very high | 70 Ų | 70 | 40.9 Ų | 40.9 | 33% | 0.327 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -76.1 | -41.7 | 177.6 | -172.8 | 174.5 | -169.1 | 0 | 0 | 111.7 | K313 N352 Y353 R358 L359 | K313-E355 VanDerWaalsContact CE-CD 3.5Å; K313-E355 WeakPolarHBondContact CE-OE2 3.21Å; K313-E355 IonicContact NZ-OE1 2.75Å; K313-E355 PolarHBondContact NZ-OE1 3.38Å; K313-E355 IonicContact NZ-OE2 3.25Å; K313-E355 PolarHBondContact NZ-OE2 3.13Å; N352-E355 PolarHBondContact O-N 3.32Å; Y353-E355 PolarHBondContact O-N 3.36Å; E355-R358 WeakPolarHBondContact O-CB 3.39Å; E355-R358 PolarHBondContact O-N 3.23Å; E355-L359 HydrophobicContact CG-CD1 4.49Å; E355-L359 WeakPolarHBondContact O-CG 3.28Å; E355-L359 PolarHBondContact O-N 3.38Å |
| 356 | V | 94.2 | Very high | 92.3 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.5 | -44 | -179.9 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | V309 K313 N352 Y353 R358 L359 I360 | V309-V356 HydrophobicContact CG1-CB 4.18Å; V309-V356 HydrophobicContact CG1-CG1 4.18Å; V309-V356 HydrophobicContact CG1-CG2 3.79Å; K313-V356 HydrophobicContact CB-CG2 3.61Å; K313-V356 HydrophobicContact CD-CG2 4.05Å; K313-V356 HydrophobicContact CG-CG2 3.82Å; N352-V356 HydrophobicContact CB-CG2 4.47Å; N352-V356 WeakPolarHBondContact O-CG2 3.37Å; N352-V356 PolarHBondContact O-N 3.24Å; N352-V356 VanDerWaalsContact O-N 3.11Å; Y353-V356 PolarHBondContact O-N 2.98Å; Y353-V356 VanDerWaalsContact O-N 3.15Å; V356-R358 VanDerWaalsContact C-N 3.27Å; V356-R358 PolarHBondContact O-N 3.07Å; V356-L359 PolarHBondContact O-N 3.4Å; V356-L359 VanDerWaalsContact O-N 3.14Å; V356-I360 HydrophobicContact CG1-CD1 3.74Å; V356-I360 HydrophobicContact CG1-CG1 4.23Å; V356-I360 WeakPolarHBondContact O-CG1 3.46Å; V356-I360 PolarHBondContact O-N 2.67Å |
| 357 | I | 94.9 | Very high | 92.4 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.7 | -35.4 | 179 | -168.2 | 61.1 | 0 | 0 | 0 | 111.6 | Y353 P354 I360 A361 W385 L388 M402 L403 Y406 | Y353-I357 HydrophobicContact CD1-CG2 4.42Å; Y353-I357 HydrophobicContact CE1-CB 4.35Å; Y353-I357 HydrophobicContact CE1-CG2 4.02Å; Y353-I357 HydrophobicContact CE2-CB 4.22Å; Y353-I357 WeakPolarHBondContact O-CG2 3.38Å; Y353-I357 PolarHBondContact O-N 3.48Å; P354-I357 WeakPolarHBondContact O-CG2 3.23Å; I357-I360 PolarHBondContact O-N 2.97Å; I357-A361 WeakPolarHBondContact O-CB 3.48Å; I357-A361 PolarHBondContact O-N 2.71Å; I357-W385 HydrophobicContact CD1-CH2 3.73Å; I357-W385 HydrophobicContact CD1-CZ2 4.36Å; I357-W385 HydrophobicContact CD1-CZ3 4.18Å; I357-W385 HydrophobicContact CG1-CH2 4.2Å; I357-L388 HydrophobicContact CD1-CD1 4.19Å; I357-M402 HydrophobicContact CG2-CB 4.17Å; I357-L403 HydrophobicContact CD1-CD2 4.37Å; I357-Y406 HydrophobicContact CG1-CD2 4.24Å; I357-Y406 HydrophobicContact CG2-CD2 4.3Å; I357-Y406 HydrophobicContact CG2-CE2 3.97Å |
| 358 | R | 95.5 | Very high | 92.3 | Very high | 95 Ų | 95 | 41.9 Ų | 41.9 | 36% | 0.358 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 172.1 | -176.2 | -172 | 69.4 | 81 | 1.9 | 111.8 | P354 E355 V356 A361 N362 Y406 | P354-R358 PolarHBondContact O-N 2.74Å; E355-R358 WeakPolarHBondContact O-CB 3.39Å; E355-R358 PolarHBondContact O-N 3.23Å; V356-R358 VanDerWaalsContact C-N 3.27Å; V356-R358 PolarHBondContact O-N 3.07Å; R358-A361 PolarHBondContact O-N 3.18Å; R358-N362 PolarHBondContact NH1-ND2 3.39Å; R358-N362 PolarHBondContact O-N 3Å; R358-Y406 HydrophobicContact CB-CE1 4.33Å; R358-Y406 HydrophobicContact CB-CE2 4.25Å; R358-Y406 VanDerWaalsContact CB-OH 3.32Å; R358-Y406 WeakPolarHBondContact CB-OH 3.49Å; R358-Y406 HydrophobicContact CG-CE1 4.11Å; R358-Y406 VanDerWaalsContact CG-OH 3.31Å; R358-Y406 WeakPolarHBondContact CG-OH 3.41Å |
| 359 | L | 95.6 | Very high | 92.1 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 13% | 0.131 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 177.4 | -71.1 | 173.3 | 0 | 0 | 0 | 111.8 | K313 L316 E317 E355 V356 A361 N362 F363 | K313-L359 HydrophobicContact CG-CD1 4.12Å; L316-L359 HydrophobicContact CB-CB 3.98Å; L316-L359 HydrophobicContact CB-CD1 4.09Å; L316-L359 HydrophobicContact CD1-CB 3.82Å; L316-L359 HydrophobicContact CG-CB 4.41Å; E317-L359 HydrophobicContact CG-CD1 4.02Å; E355-L359 HydrophobicContact CG-CD1 4.49Å; E355-L359 WeakPolarHBondContact O-CG 3.28Å; E355-L359 PolarHBondContact O-N 3.38Å; V356-L359 PolarHBondContact O-N 3.4Å; V356-L359 VanDerWaalsContact O-N 3.14Å; L359-A361 VanDerWaalsContact C-N 3.34Å; L359-N362 PolarHBondContact O-N 3.33Å; L359-F363 WeakPolarHBondContact O-CB 3.2Å; L359-F363 PolarHBondContact O-N 3.24Å |
| 360 | I | 95.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | 174.7 | -67.6 | 171 | 0 | 0 | 0 | 110.8 | L316 L335 L338 V356 I357 F363 T364 L384 W385 | L316-I360 HydrophobicContact CD1-CG1 3.64Å; L335-I360 HydrophobicContact CD2-CD1 4Å; L335-I360 HydrophobicContact CD2-CG1 4.05Å; L338-I360 HydrophobicContact CD1-CD1 4.4Å; V356-I360 HydrophobicContact CG1-CD1 3.74Å; V356-I360 HydrophobicContact CG1-CG1 4.23Å; V356-I360 WeakPolarHBondContact O-CG1 3.46Å; V356-I360 PolarHBondContact O-N 2.67Å; I357-I360 PolarHBondContact O-N 2.97Å; I360-F363 PolarHBondContact O-N 3.32Å; I360-T364 WeakPolarHBondContact O-CB 3.44Å; I360-T364 PolarHBondContact O-N 3.17Å; I360-T364 PolarHBondContact O-OG1 2.87Å; I360-L384 HydrophobicContact CG2-CD2 3.99Å; I360-W385 HydrophobicContact CG2-CZ2 4Å |
| 361 | A | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -51.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I357 R358 L359 F363 T364 V365 W385 Y406 | I357-A361 WeakPolarHBondContact O-CB 3.48Å; I357-A361 PolarHBondContact O-N 2.71Å; R358-A361 PolarHBondContact O-N 3.18Å; L359-A361 VanDerWaalsContact C-N 3.34Å; A361-F363 VanDerWaalsContact C-N 3.34Å; A361-F363 PolarHBondContact O-N 3.48Å; A361-T364 PolarHBondContact O-N 3.41Å; A361-T364 VanDerWaalsContact O-N 3.14Å; A361-V365 WeakPolarHBondContact O-CG2 3.48Å; A361-V365 PolarHBondContact O-N 3.15Å; A361-W385 HydrophobicContact CB-CH2 3.93Å; A361-W385 HydrophobicContact CB-CZ2 3.89Å; A361-Y406 HydrophobicContact CB-CD1 3.53Å; A361-Y406 HydrophobicContact CB-CD2 4.45Å; A361-Y406 HydrophobicContact CB-CE1 4.27Å; A361-Y406 HydrophobicContact CB-CG 3.66Å |
| 362 | N | 94.2 | Very high | 89.8 | Confident | 68 Ų | 68 | 43.5 Ų | 43.5 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56.6 | -48 | 176.5 | -73.9 | -9.2 | 0 | 0 | 0 | 111.7 | R358 L359 T364 V365 T366 | R358-N362 PolarHBondContact NH1-ND2 3.39Å; R358-N362 PolarHBondContact O-N 3Å; L359-N362 PolarHBondContact O-N 3.33Å; N362-T364 VanDerWaalsContact C-N 3.33Å; N362-T364 PolarHBondContact O-N 2.92Å; N362-V365 PolarHBondContact O-N 2.89Å; N362-T366 PolarHBondContact O-N 3.31Å; N362-T366 PolarHBondContact O-OG1 3.35Å; N362-T366 VanDerWaalsContact O-OG1 3.12Å |
| 363 | F | 93.3 | Very high | 88.8 | Confident | 27 Ų | 27 | 45.2 Ų | 45.2 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 177 | 176.7 | -101.5 | 0 | 0 | 0 | 112 | L316 L322 Y328 F331 L335 L359 I360 A361 S367 L381 | L316-F363 HydrophobicContact CD2-CB 3.85Å; L316-F363 HydrophobicContact CD2-CD2 4.3Å; L316-F363 HydrophobicContact CD2-CG 3.97Å; L322-F363 HydrophobicContact CD1-CD2 4.46Å; L322-F363 HydrophobicContact CD1-CE2 3.79Å; L322-F363 HydrophobicContact CD1-CZ 4.35Å; Y328-F363 HydrophobicContact CD2-CE2 4.11Å; Y328-F363 AromaticContact CD2-CZ 3.74Å; Y328-F363 HydrophobicContact CD2-CZ 3.74Å; Y328-F363 HydrophobicContact CE2-CE1 4.17Å; Y328-F363 AromaticContact CE2-CE2 3.73Å; Y328-F363 HydrophobicContact CE2-CE2 3.73Å; Y328-F363 AromaticContact CE2-CZ 3.27Å; Y328-F363 HydrophobicContact CE2-CZ 3.27Å; F331-F363 HydrophobicContact CD1-CE1 4.11Å; F331-F363 AromaticContact CD1-CZ 3.93Å; F331-F363 HydrophobicContact CD1-CZ 3.93Å; F331-F363 HydrophobicContact CE1-CE1 4.24Å; F331-F363 HydrophobicContact CE1-CZ 4.29Å; L335-F363 HydrophobicContact CD1-CD1 3.98Å; L335-F363 HydrophobicContact CD1-CE1 4.01Å; L359-F363 WeakPolarHBondContact O-CB 3.2Å; L359-F363 PolarHBondContact O-N 3.24Å; I360-F363 PolarHBondContact O-N 3.32Å; A361-F363 VanDerWaalsContact C-N 3.34Å; A361-F363 PolarHBondContact O-N 3.48Å; F363-S367 WeakPolarHBondContact O-CB 3.39Å; F363-S367 PolarHBondContact O-N 3.5Å; F363-S367 PolarHBondContact O-OG 3.03Å; F363-L381 HydrophobicContact CD1-CD2 4.4Å; F363-L381 HydrophobicContact CE1-CD1 4.2Å; F363-L381 HydrophobicContact CE1-CD2 4.13Å |
| 364 | T | 93.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.4 | -44.2 | 177.9 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | I360 A361 N362 S367 L368 L381 W385 V410 | I360-T364 WeakPolarHBondContact O-CB 3.44Å; I360-T364 PolarHBondContact O-N 3.17Å; I360-T364 PolarHBondContact O-OG1 2.87Å; A361-T364 PolarHBondContact O-N 3.41Å; A361-T364 VanDerWaalsContact O-N 3.14Å; N362-T364 VanDerWaalsContact C-N 3.33Å; N362-T364 PolarHBondContact O-N 2.92Å; T364-S367 WeakPolarHBondContact O-CB 3.46Å; T364-S367 PolarHBondContact O-N 3.37Å; T364-L368 HydrophobicContact CG2-CD1 3.97Å; T364-L368 HydrophobicContact CG2-CG 4.33Å; T364-L368 WeakPolarHBondContact O-CB 3.27Å; T364-L368 VanDerWaalsContact O-CG 3.28Å; T364-L368 WeakPolarHBondContact O-CG 3.34Å; T364-L368 PolarHBondContact O-N 2.99Å; T364-L381 HydrophobicContact CG2-CB 4.17Å; T364-L381 HydrophobicContact CG2-CD1 4.39Å; T364-W385 PolarHBondContact OG1-NE1 2.82Å; T364-V410 HydrophobicContact CG2-CG1 3.93Å; T364-V410 HydrophobicContact CG2-CG2 4.17Å |
| 365 | V | 93.6 | Very high | 86.5 | Confident | 27 Ų | 27 | 45.5 Ų | 45.5 | 16% | 0.164 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -48.9 | 178.5 | 167.3 | 0 | 0 | 0 | 0 | 110.8 | A361 N362 S367 L368 Q369 E409 V410 A413 | A361-V365 WeakPolarHBondContact O-CG2 3.48Å; A361-V365 PolarHBondContact O-N 3.15Å; N362-V365 PolarHBondContact O-N 2.89Å; V365-S367 VanDerWaalsContact C-N 3.3Å; V365-S367 PolarHBondContact O-N 2.8Å; V365-L368 PolarHBondContact O-N 3.33Å; V365-Q369 WeakPolarHBondContact O-CG 3.23Å; V365-Q369 PolarHBondContact O-N 3.18Å; V365-Q369 VanDerWaalsContact O-N 3.11Å; V365-E409 HydrophobicContact CG2-CB 4.35Å; V365-V410 HydrophobicContact CG2-CG2 4.49Å; V365-A413 HydrophobicContact CB-CB 4.17Å; V365-A413 HydrophobicContact CG1-CB 3.86Å; V365-A413 HydrophobicContact CG2-CB 3.99Å |
| 366 | T | 90.2 | Very high | 85.6 | Confident | 72 Ų | 72 | 47.9 Ų | 47.9 | 44% | 0.442 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.1 | -39.7 | 177.3 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | N362 Q369 H370 | N362-T366 PolarHBondContact O-N 3.31Å; N362-T366 PolarHBondContact O-OG1 3.35Å; N362-T366 VanDerWaalsContact O-OG1 3.12Å; T366-Q369 PolarHBondContact O-N 3.36Å; T366-H370 PolarHBondContact O-N 2.95Å; T366-H370 VanDerWaalsContact O-N 3.09Å; T366-H370 PolarHBondContact O-ND1 3.47Å |
| 367 | S | 89.6 | Confident | 85.1 | Confident | 8 Ų | 8 | 47.8 Ų | 47.8 | 6% | 0.056 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 176.7 | -70.1 | 0 | 0 | 0 | 0 | 113 | Y328 F363 T364 V365 Q369 H370 | Y328-S367 WeakPolarHBondContact CE2-OG 3.29Å; Y328-S367 WeakPolarHBondContact OH-CB 3.4Å; Y328-S367 PolarHBondContact OH-OG 3.36Å; F363-S367 WeakPolarHBondContact O-CB 3.39Å; F363-S367 PolarHBondContact O-N 3.5Å; F363-S367 PolarHBondContact O-OG 3.03Å; T364-S367 WeakPolarHBondContact O-CB 3.46Å; T364-S367 PolarHBondContact O-N 3.37Å; V365-S367 VanDerWaalsContact C-N 3.3Å; V365-S367 PolarHBondContact O-N 2.8Å; S367-Q369 VanDerWaalsContact C-N 3.32Å; S367-H370 CarbonylContact O-C 3.49Å; S367-H370 PolarHBondContact O-N 3.45Å |
| 368 | L | 89.2 | Confident | 84.5 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.1 | -34.8 | 177.9 | -72.8 | 171.9 | 0 | 0 | 0 | 111.9 | T364 V365 V378 V410 A413 Y414 S417 | T364-L368 HydrophobicContact CG2-CD1 3.97Å; T364-L368 HydrophobicContact CG2-CG 4.33Å; T364-L368 WeakPolarHBondContact O-CB 3.27Å; T364-L368 VanDerWaalsContact O-CG 3.28Å; T364-L368 WeakPolarHBondContact O-CG 3.34Å; T364-L368 PolarHBondContact O-N 2.99Å; V365-L368 PolarHBondContact O-N 3.33Å; L368-V378 HydrophobicContact CD2-CG1 3.54Å; L368-V410 HydrophobicContact CD1-CG1 4.03Å; L368-A413 HydrophobicContact CB-CB 4.35Å; L368-A413 HydrophobicContact CD1-CB 4.21Å; L368-Y414 HydrophobicContact CD2-CD2 3.83Å; L368-S417 WeakPolarHBondContact O-CB 3.32Å; L368-S417 PolarHBondContact O-OG 2.75Å |
| 369 | Q | 86 | Confident | 84.1 | Confident | 97 Ų | 97 | 44.5 Ų | 44.5 | 45% | 0.453 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.5 | -34.7 | 176.2 | -70.9 | 169.4 | -18 | 0 | 0 | 112.4 | V365 T366 S367 W371 | V365-Q369 WeakPolarHBondContact O-CG 3.23Å; V365-Q369 PolarHBondContact O-N 3.18Å; V365-Q369 VanDerWaalsContact O-N 3.11Å; T366-Q369 PolarHBondContact O-N 3.36Å; S367-Q369 VanDerWaalsContact C-N 3.32Å; Q369-W371 PolarHBondContact O-N 3.41Å |
| 370 | H | 81.8 | Confident | 83.8 | Confident | 119 Ų | 119 | 45.8 Ų | 45.8 | 55% | 0.551 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 52.5 | 178.1 | -60.9 | 82 | 0 | 0 | 0 | 111.6 | T366 S367 E372 F373 | T366-H370 PolarHBondContact O-N 2.95Å; T366-H370 VanDerWaalsContact O-N 3.09Å; T366-H370 PolarHBondContact O-ND1 3.47Å; S367-H370 CarbonylContact O-C 3.49Å; S367-H370 PolarHBondContact O-N 3.45Å; H370-E372 PolarHBondContact O-N 3Å; H370-E372 VanDerWaalsContact O-N 3.15Å; H370-F373 PolarHBondContact O-N 2.64Å |
| 371 | W | 69.2 | Low | 83.6 | Confident | 32 Ų | 32 | 45.4 Ų | 45.4 | 12% | 0.121 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -60.7 | -25.3 | -173.8 | 61 | -90.3 | 0 | 0 | 0 | 114.1 | Q369 F373 I425 L430 | Q369-W371 PolarHBondContact O-N 3.41Å; W371-F373 PolarHBondContact O-N 2.69Å; W371-I425 HydrophobicContact CH2-CD1 4.25Å; W371-I425 HydrophobicContact CH2-CG1 3.94Å; W371-I425 HydrophobicContact CZ2-CG1 4.4Å; W371-L430 HydrophobicContact CH2-CD1 4.14Å |
| 372 | E | 68.7 | Low | 83.4 | Confident | 120 Ų | 120 | 45.4 Ų | 45.4 | 56% | 0.561 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -62.5 | -26.6 | 178.8 | -62.4 | 176.3 | 179.1 | 0 | 0 | 113 | H370 | H370-E372 PolarHBondContact O-N 3Å; H370-E372 VanDerWaalsContact O-N 3.15Å |
| 373 | F | 68.1 | Low | 83.3 | Confident | 91 Ų | 91 | 42.3 Ų | 42.3 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -77.5 | -33.5 | -169.2 | -173.8 | -102.8 | 0 | 0 | 0 | 113.5 | S323 P325 Y328 H370 W371 | S323-F373 WeakPolarHBondContact O-CZ 3.36Å; P325-F373 HydrophobicContact CB-CE1 4.38Å; P325-F373 HydrophobicContact CB-CZ 4.19Å; P325-F373 HydrophobicContact CG-CE1 4.3Å; P325-F373 HydrophobicContact CG-CE2 3.97Å; P325-F373 HydrophobicContact CG-CZ 3.63Å; Y328-F373 HydrophobicContact CD1-CD1 4.41Å; Y328-F373 HydrophobicContact CD1-CE1 4.47Å; Y328-F373 HydrophobicContact CD2-CE1 4.47Å; Y328-F373 HydrophobicContact CG-CD1 4.35Å; Y328-F373 HydrophobicContact CG-CE1 4.07Å; H370-F373 PolarHBondContact O-N 2.64Å; W371-F373 PolarHBondContact O-N 2.69Å |
| 374 | A | 66.4 | Low | 83.2 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 12% | 0.116 | 21% | 0.209 | C | C | . | . | trans | -163.2 | 75.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y328 N376 S377 | Y328-A374 HydrophobicContact CD1-CB 3.56Å; Y328-A374 HydrophobicContact CE1-CB 3.59Å; A374-N376 VanDerWaalsContact C-N 3.32Å; A374-N376 PolarHBondContact O-N 3.3Å; A374-S377 WeakPolarHBondContact O-CB 3.48Å; A374-S377 PolarHBondContact O-N 3.45Å; A374-S377 VanDerWaalsContact O-N 3.12Å | ||
| 375 | P | 68.3 | Low | 83.3 | Confident | 69 Ų | 69 | 41.2 Ų | 41.2 | 45% | 0.448 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.9 | -37.7 | -174.6 | 22.5 | -33 | 0 | 0 | 0 | 113.2 | S377 V378 | P375-S377 PolarHBondContact O-N 3.21Å; P375-V378 PolarHBondContact O-N 3.44Å |
| 376 | N | 75 | Confident | 83.2 | Confident | 120 Ų | 120 | 42.3 Ų | 42.3 | 64% | 0.642 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -70.2 | -16.9 | -179.4 | -64.5 | -24.4 | 0 | 0 | 0 | 113.6 | A374 | A374-N376 VanDerWaalsContact C-N 3.32Å; A374-N376 PolarHBondContact O-N 3.3Å |
| 377 | S | 83.5 | Confident | 83.3 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -86.6 | -24.8 | -178.6 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | H329 A374 P375 H379 Y380 | H329-S377 WeakPolarHBondContact CA-OG 3.28Å; H329-S377 PolarHBondContact ND1-OG 3.22Å; A374-S377 WeakPolarHBondContact O-CB 3.48Å; A374-S377 PolarHBondContact O-N 3.45Å; A374-S377 VanDerWaalsContact O-N 3.12Å; P375-S377 PolarHBondContact O-N 3.21Å; S377-H379 PolarHBondContact O-N 3.12Å; S377-Y380 PolarHBondContact O-N 3.27Å; S377-Y380 VanDerWaalsContact O-N 3.15Å |
| 378 | V | 83.1 | Confident | 83.4 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.7 | -36 | -177.8 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | L368 P375 Y380 L381 L382 | L368-V378 HydrophobicContact CD2-CG1 3.54Å; P375-V378 PolarHBondContact O-N 3.44Å; V378-Y380 VanDerWaalsContact C-N 3.27Å; V378-Y380 PolarHBondContact O-N 3.43Å; V378-L381 PolarHBondContact O-N 2.78Å; V378-L381 VanDerWaalsContact O-N 3.12Å; V378-L382 HydrophobicContact CG1-CD1 3.92Å; V378-L382 HydrophobicContact CG1-CG 4.09Å; V378-L382 PolarHBondContact O-N 3.14Å |
| 379 | H | 86.3 | Confident | 83.4 | Confident | 27 Ų | 27 | 41.7 Ų | 41.7 | 13% | 0.125 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.7 | -40.6 | 177.3 | 174.1 | 86.5 | 0 | 0 | 0 | 112.6 | S377 L381 L382 S383 Q442 Q446 | S377-H379 PolarHBondContact O-N 3.12Å; H379-L381 PolarHBondContact O-N 3.23Å; H379-L382 PolarHBondContact O-N 3.12Å; H379-S383 WeakPolarHBondContact O-CB 3.32Å; H379-S383 PolarHBondContact O-N 2.94Å; H379-Q442 PolarHBondContact CE1-NE2 3.44Å; H379-Q442 PolarHBondContact ND1-OE1 3.31Å; H379-Q446 PolarHBondContact CE1-NE2 3.36Å; H379-Q446 PolarHBondContact ND1-NE2 2.98Å; H379-Q446 VanDerWaalsContact ND1-NE2 3.2Å; H379-Q446 PolarHBondContact NE2-NE2 2.77Å |
| 380 | Y | 88.9 | Confident | 83.6 | Confident | 52 Ų | 52 | 39.4 Ų | 39.4 | 20% | 0.204 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.3 | -38.2 | 179.7 | -66.9 | -66.7 | 0 | 0 | 0 | 112.4 | H329 R333 A336 S377 V378 L384 | H329-Y380 AromaticContact CE1-CE2 3.62Å; H329-Y380 AromaticContact NE2-CE2 3.96Å; R333-Y380 HydrophobicContact CG-CD1 4.22Å; R333-Y380 HydrophobicContact CG-CD2 3.84Å; R333-Y380 HydrophobicContact CG-CE1 3.93Å; R333-Y380 HydrophobicContact CG-CE2 3.53Å; R333-Y380 HydrophobicContact CG-CG 4.18Å; A336-Y380 HydrophobicContact CB-CD1 4.19Å; S377-Y380 PolarHBondContact O-N 3.27Å; S377-Y380 VanDerWaalsContact O-N 3.15Å; V378-Y380 VanDerWaalsContact C-N 3.27Å; V378-Y380 PolarHBondContact O-N 3.43Å; Y380-L384 PolarHBondContact O-N 2.97Å |
| 381 | L | 91.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.4 | -46 | 177 | -60.4 | 179.6 | 0 | 0 | 0 | 110.8 | C332 L335 F363 T364 V378 H379 S383 L384 W385 | C332-L381 HydrophobicContact CB-CD2 4.2Å; C332-L381 HydrophobicContact CB-CG 4.33Å; L335-L381 HydrophobicContact CD1-CD2 3.85Å; F363-L381 HydrophobicContact CD1-CD2 4.4Å; F363-L381 HydrophobicContact CE1-CD1 4.2Å; F363-L381 HydrophobicContact CE1-CD2 4.13Å; T364-L381 HydrophobicContact CG2-CB 4.17Å; T364-L381 HydrophobicContact CG2-CD1 4.39Å; V378-L381 PolarHBondContact O-N 2.78Å; V378-L381 VanDerWaalsContact O-N 3.12Å; H379-L381 PolarHBondContact O-N 3.23Å; L381-S383 VanDerWaalsContact C-N 3.34Å; L381-S383 PolarHBondContact O-N 3.4Å; L381-L384 WeakPolarHBondContact O-CB 3.39Å; L381-L384 PolarHBondContact O-N 3.15Å; L381-W385 PolarHBondContact O-N 3.07Å; L381-W385 VanDerWaalsContact O-N 3.08Å |
| 382 | L | 91.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.7 | -40.5 | 175.8 | -67.5 | 179.4 | 0 | 0 | 0 | 111.7 | V378 H379 L384 W385 Q386 Y414 Q443 Q446 I450 | V378-L382 HydrophobicContact CG1-CD1 3.92Å; V378-L382 HydrophobicContact CG1-CG 4.09Å; V378-L382 PolarHBondContact O-N 3.14Å; H379-L382 PolarHBondContact O-N 3.12Å; L382-L384 VanDerWaalsContact C-N 3.34Å; L382-L384 PolarHBondContact O-N 3.02Å; L382-W385 PolarHBondContact O-N 2.66Å; L382-Q386 VanDerWaalsContact O-CB 3.26Å; L382-Q386 WeakPolarHBondContact O-CB 3.21Å; L382-Q386 PolarHBondContact O-N 3.19Å; L382-Y414 HydrophobicContact CD1-CD2 4.04Å; L382-Y414 HydrophobicContact CD1-CE2 3.76Å; L382-Y414 HydrophobicContact CD2-CD2 4.15Å; L382-Q443 HydrophobicContact CD1-CB 4.13Å; L382-Q443 HydrophobicContact CD1-CG 4.1Å; L382-Q446 HydrophobicContact CB-CB 4.05Å; L382-I450 HydrophobicContact CD2-CD1 4.09Å |
| 383 | S | 90.8 | Very high | 85.4 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 174 | -172.7 | 0 | 0 | 0 | 0 | 112.4 | H379 L381 R387 | H379-S383 WeakPolarHBondContact O-CB 3.32Å; H379-S383 PolarHBondContact O-N 2.94Å; L381-S383 VanDerWaalsContact C-N 3.34Å; L381-S383 PolarHBondContact O-N 3.4Å; S383-R387 WeakPolarHBondContact O-CB 3.49Å; S383-R387 VanDerWaalsContact O-CG 3.3Å; S383-R387 WeakPolarHBondContact O-CG 3.32Å; S383-R387 PolarHBondContact O-N 3.35Å |
| 384 | L | 92.4 | Very high | 86.1 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.1 | -54.6 | 173.2 | 172.9 | 60.9 | 0 | 0 | 0 | 111.1 | L335 K339 I360 Y380 L381 L382 Q386 R387 L388 | L335-L384 HydrophobicContact CB-CD2 3.99Å; L335-L384 WeakPolarHBondContact O-CD1 3.37Å; K339-L384 HydrophobicContact CB-CD1 3.54Å; I360-L384 HydrophobicContact CG2-CD2 3.99Å; Y380-L384 PolarHBondContact O-N 2.97Å; L381-L384 WeakPolarHBondContact O-CB 3.39Å; L381-L384 PolarHBondContact O-N 3.15Å; L382-L384 VanDerWaalsContact C-N 3.34Å; L382-L384 PolarHBondContact O-N 3.02Å; L384-Q386 PolarHBondContact O-N 3.01Å; L384-R387 PolarHBondContact O-N 2.93Å; L384-L388 HydrophobicContact CD1-CD1 3.83Å; L384-L388 HydrophobicContact CD1-CG 4.1Å; L384-L388 HydrophobicContact CG-CD1 3.87Å; L384-L388 WeakPolarHBondContact O-CB 3.01Å; L384-L388 VanDerWaalsContact O-CG 3.29Å; L384-L388 WeakPolarHBondContact O-CG 3.2Å; L384-L388 PolarHBondContact O-N 2.92Å |
| 385 | W | 94.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | -177.8 | -74.9 | 106.8 | 0 | 0 | 0 | 112.6 | I357 I360 A361 T364 L381 L382 R387 L388 A389 L403 T407 V410 I450 | I357-W385 HydrophobicContact CD1-CH2 3.73Å; I357-W385 HydrophobicContact CD1-CZ2 4.36Å; I357-W385 HydrophobicContact CD1-CZ3 4.18Å; I357-W385 HydrophobicContact CG1-CH2 4.2Å; I360-W385 HydrophobicContact CG2-CZ2 4Å; A361-W385 HydrophobicContact CB-CH2 3.93Å; A361-W385 HydrophobicContact CB-CZ2 3.89Å; T364-W385 PolarHBondContact OG1-NE1 2.82Å; L381-W385 PolarHBondContact O-N 3.07Å; L381-W385 VanDerWaalsContact O-N 3.08Å; L382-W385 PolarHBondContact O-N 2.66Å; W385-R387 PolarHBondContact O-N 2.81Å; W385-L388 HydrophobicContact CE3-CD1 4.26Å; W385-L388 PolarHBondContact O-N 2.92Å; W385-A389 WeakPolarHBondContact O-CB 3.39Å; W385-A389 PolarHBondContact O-N 2.7Å; W385-L403 HydrophobicContact CE3-CD2 4.2Å; W385-L403 HydrophobicContact CZ3-CD2 3.67Å; W385-T407 HydrophobicContact CE3-CG2 4.06Å; W385-T407 HydrophobicContact CZ3-CG2 4.31Å; W385-V410 HydrophobicContact CD2-CG2 4.08Å; W385-V410 HydrophobicContact CG-CG1 4.25Å; W385-V410 HydrophobicContact CG-CG2 4.5Å; W385-V410 HydrophobicContact CH2-CG2 4.46Å; W385-V410 HydrophobicContact CZ2-CG2 3.98Å; W385-I450 HydrophobicContact CB-CD1 3.55Å; W385-I450 HydrophobicContact CB-CG1 3.86Å; W385-I450 HydrophobicContact CB-CG2 4.48Å |
| 386 | Q | 92.3 | Very high | 87.4 | Confident | 49 Ų | 49 | 45 Ų | 45 | 23% | 0.229 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.1 | -50.4 | 174.1 | -174.8 | -160.3 | 21.7 | 0 | 0 | 110.7 | L382 L384 L388 A389 A390 Q446 T449 I450 | L382-Q386 VanDerWaalsContact O-CB 3.26Å; L382-Q386 WeakPolarHBondContact O-CB 3.21Å; L382-Q386 PolarHBondContact O-N 3.19Å; L384-Q386 PolarHBondContact O-N 3.01Å; Q386-L388 VanDerWaalsContact C-N 3.32Å; Q386-L388 PolarHBondContact O-N 3.01Å; Q386-A389 PolarHBondContact O-N 3.49Å; Q386-A390 VanDerWaalsContact O-CB 3.28Å; Q386-A390 WeakPolarHBondContact O-CB 3.48Å; Q386-A390 PolarHBondContact O-N 2.98Å; Q386-Q446 HydrophobicContact CB-CB 4.26Å; Q386-Q446 HydrophobicContact CG-CB 4.43Å; Q386-T449 HydrophobicContact CG-CG2 3.98Å; Q386-I450 HydrophobicContact CB-CG1 4.32Å |
| 387 | R | 90.6 | Very high | 87.4 | Confident | 59 Ų | 59 | 40.4 Ų | 40.4 | 22% | 0.223 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.9 | -29.3 | -179.5 | -70.6 | 177.7 | -179.5 | 165.5 | 6.2 | 113 | K339 S340 S383 L384 W385 S391 | K339-R387 WeakPolarHBondContact CE-O 3.49Å; K339-R387 HydrophobicContact CG-CB 3.7Å; K339-R387 PolarHBondContact NZ-O 3.4Å; K339-R387 VanDerWaalsContact NZ-O 3.1Å; S340-R387 PolarHBondContact OG-NH1 3.49Å; S383-R387 WeakPolarHBondContact O-CB 3.49Å; S383-R387 VanDerWaalsContact O-CG 3.3Å; S383-R387 WeakPolarHBondContact O-CG 3.32Å; S383-R387 PolarHBondContact O-N 3.35Å; L384-R387 PolarHBondContact O-N 2.93Å; W385-R387 PolarHBondContact O-N 2.81Å; R387-S391 PolarHBondContact O-OG 3.43Å |
| 388 | L | 91.9 | Very high | 87.1 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.2 | -54.9 | 172.3 | -74.1 | 169.8 | 0 | 0 | 0 | 110.2 | K339 L344 L347 I357 L384 W385 Q386 A390 S391 V392 L403 | K339-L388 HydrophobicContact CB-CD2 4.13Å; K339-L388 HydrophobicContact CB-CG 4.27Å; K339-L388 HydrophobicContact CD-CD2 3.75Å; K339-L388 HydrophobicContact CD-CG 4.41Å; K339-L388 HydrophobicContact CG-CD2 3.85Å; K339-L388 HydrophobicContact CG-CG 4Å; L344-L388 HydrophobicContact CD1-CD2 3.81Å; L347-L388 HydrophobicContact CD1-CD2 4.4Å; I357-L388 HydrophobicContact CD1-CD1 4.19Å; L384-L388 HydrophobicContact CD1-CD1 3.83Å; L384-L388 HydrophobicContact CD1-CG 4.1Å; L384-L388 HydrophobicContact CG-CD1 3.87Å; L384-L388 WeakPolarHBondContact O-CB 3.01Å; L384-L388 VanDerWaalsContact O-CG 3.29Å; L384-L388 WeakPolarHBondContact O-CG 3.2Å; L384-L388 PolarHBondContact O-N 2.92Å; W385-L388 HydrophobicContact CE3-CD1 4.26Å; W385-L388 PolarHBondContact O-N 2.92Å; Q386-L388 VanDerWaalsContact C-N 3.32Å; Q386-L388 PolarHBondContact O-N 3.01Å; L388-A390 PolarHBondContact O-N 3.17Å; L388-S391 PolarHBondContact O-N 3.37Å; L388-S391 VanDerWaalsContact O-N 3.07Å; L388-S391 PolarHBondContact O-OG 3.19Å; L388-V392 PolarHBondContact O-N 3.37Å; L388-L403 HydrophobicContact CB-CD1 3.94Å; L388-L403 HydrophobicContact CB-CD2 4.06Å; L388-L403 HydrophobicContact CD1-CD2 4.26Å |
| 389 | A | 90.5 | Very high | 87.1 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.5 | -47.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | W385 Q386 S391 V392 T449 C453 | W385-A389 WeakPolarHBondContact O-CB 3.39Å; W385-A389 PolarHBondContact O-N 2.7Å; Q386-A389 PolarHBondContact O-N 3.49Å; A389-S391 PolarHBondContact O-N 3.25Å; A389-S391 VanDerWaalsContact O-N 3.07Å; A389-V392 WeakPolarHBondContact O-CB 3.34Å; A389-V392 WeakPolarHBondContact O-CG2 3.25Å; A389-V392 PolarHBondContact O-N 3.43Å; A389-V392 VanDerWaalsContact O-N 3.12Å; A389-T449 HydrophobicContact CB-CG2 4.42Å; A389-C453 HydrophobicContact CB-CB 4.07Å |
| 390 | A | 89 | Confident | 87.1 | Confident | 50 Ų | 50 | 52.7 Ų | 52.7 | 41% | 0.413 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q386 L388 T449 | Q386-A390 VanDerWaalsContact O-CB 3.28Å; Q386-A390 WeakPolarHBondContact O-CB 3.48Å; Q386-A390 PolarHBondContact O-N 2.98Å; L388-A390 PolarHBondContact O-N 3.17Å; A390-T449 HydrophobicContact CB-CG2 3.92Å |
| 391 | S | 88.6 | Confident | 87.1 | Confident | 17 Ų | 17 | 51.8 Ų | 51.8 | 12% | 0.119 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -12.8 | -178.8 | 66.3 | 0 | 0 | 0 | 0 | 114.5 | K339 L344 R387 L388 A389 P393 Y394 V395 | K339-S391 WeakPolarHBondContact CE-OG 3.26Å; L344-S391 VanDerWaalsContact CB-OG 3.3Å; L344-S391 WeakPolarHBondContact CB-OG 3.27Å; L344-S391 WeakPolarHBondContact CD2-OG 3.49Å; R387-S391 PolarHBondContact O-OG 3.43Å; L388-S391 PolarHBondContact O-N 3.37Å; L388-S391 VanDerWaalsContact O-N 3.07Å; L388-S391 PolarHBondContact O-OG 3.19Å; A389-S391 PolarHBondContact O-N 3.25Å; A389-S391 VanDerWaalsContact O-N 3.07Å; S391-P393 VanDerWaalsContact C-CD 3.49Å; S391-Y394 PolarHBondContact O-N 3.5Å; S391-V395 WeakPolarHBondContact O-CG2 3.4Å; S391-V395 PolarHBondContact O-N 2.91Å |
| 392 | V | 87.3 | Confident | 87.1 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -51.7 | -47.7 | -178.9 | 173.3 | 0 | 0 | 0 | 0 | 112.7 | L344 L388 A389 Y394 V395 L403 | L344-V392 HydrophobicContact CD2-CG2 4.45Å; L388-V392 PolarHBondContact O-N 3.37Å; A389-V392 WeakPolarHBondContact O-CB 3.34Å; A389-V392 WeakPolarHBondContact O-CG2 3.25Å; A389-V392 PolarHBondContact O-N 3.43Å; A389-V392 VanDerWaalsContact O-N 3.12Å; V392-Y394 PolarHBondContact O-N 2.92Å; V392-V395 PolarHBondContact O-N 2.71Å; V392-V395 VanDerWaalsContact O-N 3.13Å; V392-L403 HydrophobicContact CG2-CB 4.38Å; V392-L403 HydrophobicContact CG2-CD1 3.52Å |
| 393 | P | 82.4 | Confident | 87 | Confident | 102 Ų | 102 | 54.6 Ų | 54.6 | 66% | 0.662 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -62.6 | -17.4 | -178.6 | -23.1 | 35.1 | 0 | 0 | 0 | 114.5 | S391 | S391-P393 VanDerWaalsContact C-CD 3.49Š|
| 394 | Y | 82.9 | Confident | 87 | Confident | 167 Ų | 167 | 59.3 Ų | 59.3 | 66% | 0.655 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -103.7 | -1.4 | -175.6 | -53.4 | -76.6 | 0 | 0 | 0 | 113 | S391 V392 K396 | S391-Y394 PolarHBondContact O-N 3.5Å; V392-Y394 PolarHBondContact O-N 2.92Å; Y394-K396 PolarHBondContact O-N 3.12Å |
| 395 | V | 83.1 | Confident | 86.9 | Confident | 34 Ų | 34 | 62.3 Ų | 62.3 | 21% | 0.206 | 33% | 0.331 | C | S | . | . | trans | -74.1 | 119.6 | 179.2 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | L344 S391 V392 A397 | L344-V395 HydrophobicContact CB-CG2 4.05Å; L344-V395 HydrophobicContact CD2-CG2 3.45Å; L344-V395 VanDerWaalsContact CD2-CG2 3.45Å; L344-V395 HydrophobicContact CG-CG2 3.7Å; S391-V395 WeakPolarHBondContact O-CG2 3.4Å; S391-V395 PolarHBondContact O-N 2.91Å; V392-V395 PolarHBondContact O-N 2.71Å; V392-V395 VanDerWaalsContact O-N 3.13Å; V395-A397 HydrophobicContact CG1-CB 3.78Å | ||
| 396 | K | 77.8 | Confident | 86.9 | Confident | 207 Ų | 207 | 63.5 Ų | 63.5 | 90% | 0.9 | 34% | 0.336 | S | S | * | . | trans | -105 | 7 | 172.7 | -59.7 | -175.5 | 179.9 | -177 | 0 | 113 | Y394 | Y394-K396 PolarHBondContact O-N 3.12Š| ||
| 397 | A | 75.8 | Confident | 87 | Confident | 24 Ų | 24 | 61.2 Ų | 61.2 | 20% | 0.198 | 33% | 0.325 | C | S | . | . | trans | -72.5 | 146.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | V395 E399 | V395-A397 HydrophobicContact CG1-CB 3.78Å; A397-E399 WeakPolarHBondContact CB-OE2 3.44Å | ||
| 398 | T | 77.3 | Confident | 87.2 | Confident | 137 Ų | 137 | 59.5 Ų | 59.5 | 84% | 0.84 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -81.6 | -22.7 | 177.7 | 42.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 399 | E | 82.9 | Confident | 87.3 | Confident | 67 Ų | 67 | 63.1 Ų | 63.1 | 31% | 0.313 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -73.6 | 143.3 | -179.6 | -57.4 | 88.6 | 164.6 | 0 | 0 | 111.4 | V348 A397 H401 | V348-E399 HydrophobicContact CB-CB 4.4Å; V348-E399 HydrophobicContact CG1-CB 3.51Å; V348-E399 WeakPolarHBondContact CG1-O 3.47Å; A397-E399 WeakPolarHBondContact CB-OE2 3.44Å; E399-H401 PolarHBondContact O-N 2.97Å |
| 400 | P | 86.6 | Confident | 87.6 | Confident | 88 Ų | 88 | 62.8 Ų | 62.8 | 57% | 0.571 | 34% | 0.336 | S | S | * | . | trans | -73.8 | 127.6 | -176.2 | 29.3 | -34.2 | 0 | 0 | 0 | 111.9 | V348 M402 | V348-P400 VanDerWaalsContact CG1-O 3.23Å; V348-P400 WeakPolarHBondContact CG1-O 3.44Å; P400-M402 VanDerWaalsContact C-N 3.34Å; P400-M402 HydrophobicContact CB-SD 4.35Å; P400-M402 PolarHBondContact O-N 2.75Å | ||
| 401 | H | 88.6 | Confident | 87.9 | Confident | 33 Ų | 33 | 60.5 Ų | 60.5 | 15% | 0.153 | 32% | 0.317 | C | S | . | . | trans | -77.1 | -15.4 | -179.9 | 54 | 81.3 | 0 | 0 | 0 | 114.4 | L344 V348 Y353 E399 L403 E404 | L344-H401 HydrophobicContact CD2-CB 4.49Å; V348-H401 HydrophobicContact CG2-CB 3.97Å; Y353-H401 WeakPolarHBondContact CE1-O 3.36Å; Y353-H401 PolarHBondContact OH-O 2.82Å; E399-H401 PolarHBondContact O-N 2.97Å; H401-L403 HydrophobicContact CB-CD1 4.48Å; H401-L403 HydrophobicContact CB-CG 4.35Å; H401-L403 PolarHBondContact ND1-N 2.94Å; H401-L403 PolarHBondContact O-N 3.31Å; H401-E404 IonicContact CE1-OE1 2.69Å | ||
| 402 | M | 91.4 | Very high | 88.2 | Confident | 59 Ų | 59 | 65.3 Ų | 65.3 | 29% | 0.291 | 34% | 0.336 | S | S | . | . | trans | 61.1 | 0.1 | 179.1 | -55.9 | -64.8 | -68.4 | 0 | 0 | 116.3 | I357 P400 E404 T405 Y406 | I357-M402 HydrophobicContact CG2-CB 4.17Å; P400-M402 VanDerWaalsContact C-N 3.34Å; P400-M402 HydrophobicContact CB-SD 4.35Å; P400-M402 PolarHBondContact O-N 2.75Å; M402-E404 VanDerWaalsContact C-N 3.29Å; M402-E404 PolarHBondContact O-N 3.24Å; M402-T405 WeakPolarHBondContact O-CB 3.31Å; M402-T405 PolarHBondContact O-N 3.25Å; M402-T405 VanDerWaalsContact O-N 3.12Å; M402-Y406 HydrophobicContact CB-CD2 4.11Å; M402-Y406 HydrophobicContact CB-CE2 3.88Å; M402-Y406 HydrophobicContact CE-CE2 4.45Å; M402-Y406 WeakPolarHBondContact O-CD2 3.5Å; M402-Y406 PolarHBondContact O-N 2.78Å | ||
| 403 | L | 90.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62 | -32.9 | -178.7 | -61.2 | 174.7 | 0 | 0 | 0 | 113 | L344 I357 W385 L388 V392 H401 T405 Y406 T407 | L344-L403 HydrophobicContact CD2-CD1 3.67Å; I357-L403 HydrophobicContact CD1-CD2 4.37Å; W385-L403 HydrophobicContact CE3-CD2 4.2Å; W385-L403 HydrophobicContact CZ3-CD2 3.67Å; L388-L403 HydrophobicContact CB-CD1 3.94Å; L388-L403 HydrophobicContact CB-CD2 4.06Å; L388-L403 HydrophobicContact CD1-CD2 4.26Å; V392-L403 HydrophobicContact CG2-CB 4.38Å; V392-L403 HydrophobicContact CG2-CD1 3.52Å; H401-L403 HydrophobicContact CB-CD1 4.48Å; H401-L403 HydrophobicContact CB-CG 4.35Å; H401-L403 PolarHBondContact ND1-N 2.94Å; H401-L403 PolarHBondContact O-N 3.31Å; L403-T405 PolarHBondContact O-N 3.13Å; L403-T405 VanDerWaalsContact O-N 3.13Å; L403-Y406 PolarHBondContact O-N 3Å; L403-T407 HydrophobicContact CB-CG2 4.12Å; L403-T407 WeakPolarHBondContact O-CB 3.37Å; L403-T407 WeakPolarHBondContact O-CG2 3.43Å; L403-T407 PolarHBondContact O-N 2.71Å; L403-T407 PolarHBondContact O-OG1 3.45Å |
| 404 | E | 89.3 | Confident | 89.1 | Confident | 101 Ų | 101 | 59.2 Ų | 59.2 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.9 | -22.6 | 176.4 | -57.1 | 176.5 | 179.4 | 0 | 0 | 113.5 | H401 M402 P408 E454 K457 | H401-E404 IonicContact CE1-OE1 2.69Å; M402-E404 VanDerWaalsContact C-N 3.29Å; M402-E404 PolarHBondContact O-N 3.24Å; E404-P408 WeakPolarHBondContact O-CD 3.41Å; E404-P408 WeakPolarHBondContact O-CG 3.46Å; E404-E454 HydrophobicContact CB-CG 4.16Å; E404-E454 WeakPolarHBondContact CB-OE1 3.08Å; E404-E454 VanDerWaalsContact CG-OE1 3.31Å; E404-E454 WeakPolarHBondContact CG-OE1 3.38Å; E404-E454 WeakPolarHBondContact O-CG 3.42Å; E404-K457 PolarHBondContact O-NZ 3.1Å |
| 405 | T | 91.9 | Very high | 89.7 | Confident | 69 Ų | 69 | 51.3 Ų | 51.3 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -86.7 | -44.2 | 176.2 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | M402 L403 P408 | M402-T405 WeakPolarHBondContact O-CB 3.31Å; M402-T405 PolarHBondContact O-N 3.25Å; M402-T405 VanDerWaalsContact O-N 3.12Å; L403-T405 PolarHBondContact O-N 3.13Å; L403-T405 VanDerWaalsContact O-N 3.13Å; T405-P408 WeakPolarHBondContact O-CD 3.48Å |
| 406 | Y | 94.8 | Very high | 90.2 | Very high | 25 Ų | 25 | 51 Ų | 51 | 10% | 0.098 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -94.9 | -28.1 | -169.2 | -61.4 | -57 | 0 | 0 | 0 | 115 | I357 R358 A361 M402 L403 P408 E409 V410 | I357-Y406 HydrophobicContact CG1-CD2 4.24Å; I357-Y406 HydrophobicContact CG2-CD2 4.3Å; I357-Y406 HydrophobicContact CG2-CE2 3.97Å; R358-Y406 HydrophobicContact CB-CE1 4.33Å; R358-Y406 HydrophobicContact CB-CE2 4.25Å; R358-Y406 VanDerWaalsContact CB-OH 3.32Å; R358-Y406 WeakPolarHBondContact CB-OH 3.49Å; R358-Y406 HydrophobicContact CG-CE1 4.11Å; R358-Y406 VanDerWaalsContact CG-OH 3.31Å; R358-Y406 WeakPolarHBondContact CG-OH 3.41Å; A361-Y406 HydrophobicContact CB-CD1 3.53Å; A361-Y406 HydrophobicContact CB-CD2 4.45Å; A361-Y406 HydrophobicContact CB-CE1 4.27Å; A361-Y406 HydrophobicContact CB-CG 3.66Å; M402-Y406 HydrophobicContact CB-CD2 4.11Å; M402-Y406 HydrophobicContact CB-CE2 3.88Å; M402-Y406 HydrophobicContact CE-CE2 4.45Å; M402-Y406 WeakPolarHBondContact O-CD2 3.5Å; M402-Y406 PolarHBondContact O-N 2.78Å; L403-Y406 PolarHBondContact O-N 3Å; Y406-P408 VanDerWaalsContact C-CD 3.47Å; Y406-E409 PolarHBondContact O-N 3.41Å; Y406-E409 VanDerWaalsContact O-N 3.16Å; Y406-V410 WeakPolarHBondContact O-CG2 3.46Å; Y406-V410 PolarHBondContact O-N 3.47Å |
| 407 | T | 93.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -36.5 | 176.5 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | W385 L403 T411 I450 C453 | W385-T407 HydrophobicContact CE3-CG2 4.06Å; W385-T407 HydrophobicContact CZ3-CG2 4.31Å; L403-T407 HydrophobicContact CB-CG2 4.12Å; L403-T407 WeakPolarHBondContact O-CB 3.37Å; L403-T407 WeakPolarHBondContact O-CG2 3.43Å; L403-T407 PolarHBondContact O-N 2.71Å; L403-T407 PolarHBondContact O-OG1 3.45Å; T407-T411 WeakPolarHBondContact O-CB 3.41Å; T407-T411 PolarHBondContact O-N 3.3Å; T407-T411 PolarHBondContact O-OG1 2.7Å; T407-I450 HydrophobicContact CG2-CG2 4.27Å; T407-C453 HydrophobicContact CG2-CB 4.23Å |
| 408 | P | 94.4 | Very high | 91.6 | Very high | 22 Ų | 22 | 40.9 Ų | 40.9 | 14% | 0.143 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 171.8 | -21.2 | 33.9 | 0 | 0 | 0 | 113.1 | E404 T405 Y406 T411 K412 E454 K457 | E404-P408 WeakPolarHBondContact O-CD 3.41Å; E404-P408 WeakPolarHBondContact O-CG 3.46Å; T405-P408 WeakPolarHBondContact O-CD 3.48Å; Y406-P408 VanDerWaalsContact C-CD 3.47Å; P408-T411 PolarHBondContact O-N 3.41Å; P408-K412 VanDerWaalsContact O-CB 3.27Å; P408-K412 WeakPolarHBondContact O-CB 3.39Å; P408-K412 PolarHBondContact O-N 3.13Å; P408-E454 HydrophobicContact CG-CB 3.73Å; P408-E454 HydrophobicContact CG-CG 3.88Å; P408-K457 HydrophobicContact CB-CB 4.37Å; P408-K457 HydrophobicContact CB-CD 4.01Å; P408-K457 HydrophobicContact CG-CD 3.68Å |
| 409 | E | 95.1 | Very high | 92.3 | Very high | 82 Ų | 82 | 34.8 Ų | 34.8 | 38% | 0.383 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.7 | -45.5 | 179.5 | -65.4 | -177.8 | 179.5 | 0 | 0 | 111.5 | V365 Y406 K412 A413 | V365-E409 HydrophobicContact CG2-CB 4.35Å; Y406-E409 PolarHBondContact O-N 3.41Å; Y406-E409 VanDerWaalsContact O-N 3.16Å; E409-K412 PolarHBondContact O-N 3.43Å; E409-A413 WeakPolarHBondContact O-CB 3.33Å; E409-A413 PolarHBondContact O-N 3.07Å |
| 410 | V | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.3 | -44.5 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 111 | T364 V365 L368 W385 Y406 K412 A413 Y414 | T364-V410 HydrophobicContact CG2-CG1 3.93Å; T364-V410 HydrophobicContact CG2-CG2 4.17Å; V365-V410 HydrophobicContact CG2-CG2 4.49Å; L368-V410 HydrophobicContact CD1-CG1 4.03Å; W385-V410 HydrophobicContact CD2-CG2 4.08Å; W385-V410 HydrophobicContact CG-CG1 4.25Å; W385-V410 HydrophobicContact CG-CG2 4.5Å; W385-V410 HydrophobicContact CH2-CG2 4.46Å; W385-V410 HydrophobicContact CZ2-CG2 3.98Å; Y406-V410 WeakPolarHBondContact O-CG2 3.46Å; Y406-V410 PolarHBondContact O-N 3.47Å; V410-K412 VanDerWaalsContact C-N 3.35Å; V410-K412 PolarHBondContact O-N 3.24Å; V410-A413 PolarHBondContact O-N 3.48Å; V410-Y414 PolarHBondContact O-N 3.2Å |
| 411 | T | 95.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 177 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | T407 P408 Y414 I415 L447 T458 | T407-T411 WeakPolarHBondContact O-CB 3.41Å; T407-T411 PolarHBondContact O-N 3.3Å; T407-T411 PolarHBondContact O-OG1 2.7Å; P408-T411 PolarHBondContact O-N 3.41Å; T411-Y414 PolarHBondContact O-N 3.3Å; T411-I415 HydrophobicContact CG2-CD1 3.76Å; T411-I415 VanDerWaalsContact O-CG1 3.26Å; T411-I415 WeakPolarHBondContact O-CG1 3.5Å; T411-I415 PolarHBondContact O-N 3.39Å; T411-L447 HydrophobicContact CG2-CD1 4.27Å; T411-T458 HydrophobicContact CG2-CG2 3.86Å |
| 412 | K | 95.4 | Very high | 92.9 | Very high | 118 Ų | 118 | 31.9 Ų | 31.9 | 51% | 0.513 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.7 | -49.9 | 177 | -178.2 | 177.9 | 179 | -178.2 | 0 | 111.6 | P408 E409 V410 Y414 I415 T416 L461 | P408-K412 VanDerWaalsContact O-CB 3.27Å; P408-K412 WeakPolarHBondContact O-CB 3.39Å; P408-K412 PolarHBondContact O-N 3.13Å; E409-K412 PolarHBondContact O-N 3.43Å; V410-K412 VanDerWaalsContact C-N 3.35Å; V410-K412 PolarHBondContact O-N 3.24Å; K412-Y414 VanDerWaalsContact C-N 3.32Å; K412-Y414 PolarHBondContact O-N 2.67Å; K412-I415 PolarHBondContact O-N 3.21Å; K412-T416 HydrophobicContact CG-CG2 4.26Å; K412-T416 WeakPolarHBondContact O-CG2 3.41Å; K412-T416 PolarHBondContact O-N 3.1Å; K412-T416 PolarHBondContact O-OG1 3.4Å; K412-L461 HydrophobicContact CB-CD2 3.7Å; K412-L461 HydrophobicContact CG-CD1 4.28Å; K412-L461 HydrophobicContact CG-CD2 3.76Å |
| 413 | A | 94.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.2 | -40.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V365 L368 E409 V410 T416 S417 | V365-A413 HydrophobicContact CB-CB 4.17Å; V365-A413 HydrophobicContact CG1-CB 3.86Å; V365-A413 HydrophobicContact CG2-CB 3.99Å; L368-A413 HydrophobicContact CB-CB 4.35Å; L368-A413 HydrophobicContact CD1-CB 4.21Å; E409-A413 WeakPolarHBondContact O-CB 3.33Å; E409-A413 PolarHBondContact O-N 3.07Å; V410-A413 PolarHBondContact O-N 3.48Å; A413-T416 PolarHBondContact O-OG1 3.43Å; A413-S417 WeakPolarHBondContact O-CB 3.45Å; A413-S417 PolarHBondContact O-N 3.06Å |
| 414 | Y | 94 | Very high | 92.6 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.7 | -52.1 | 175.4 | -178.4 | -86.1 | 0 | 0 | 0 | 111.1 | L368 L382 V410 T411 K412 S417 R418 Q443 L447 | L368-Y414 HydrophobicContact CD2-CD2 3.83Å; L382-Y414 HydrophobicContact CD1-CD2 4.04Å; L382-Y414 HydrophobicContact CD1-CE2 3.76Å; L382-Y414 HydrophobicContact CD2-CD2 4.15Å; V410-Y414 PolarHBondContact O-N 3.2Å; T411-Y414 PolarHBondContact O-N 3.3Å; K412-Y414 VanDerWaalsContact C-N 3.32Å; K412-Y414 PolarHBondContact O-N 2.67Å; Y414-S417 PolarHBondContact O-N 2.86Å; Y414-R418 HydrophobicContact CD1-CG 4.31Å; Y414-R418 HydrophobicContact CE1-CG 3.87Å; Y414-R418 WeakPolarHBondContact O-CG 3.09Å; Y414-R418 PolarHBondContact O-N 3.34Å; Y414-R418 VanDerWaalsContact O-N 3.13Å; Y414-Q443 PolarHBondContact OH-OE1 3.49Å; Y414-Q443 VanDerWaalsContact OH-OE1 3.07Å; Y414-L447 HydrophobicContact CD1-CD1 3.82Å; Y414-L447 HydrophobicContact CD1-CD2 3.48Å; Y414-L447 VanDerWaalsContact CD1-CD2 3.48Å; Y414-L447 HydrophobicContact CD1-CG 4.22Å; Y414-L447 HydrophobicContact CE1-CD2 3.59Å; Y414-L447 HydrophobicContact CG-CD1 3.94Å; Y414-L447 HydrophobicContact CG-CD2 4.41Å |
| 415 | I | 94.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.5 | -51.5 | -176.8 | -63.3 | 164.8 | 0 | 0 | 0 | 110 | T411 K412 S417 R418 L419 L461 L462 L465 L497 I500 | T411-I415 HydrophobicContact CG2-CD1 3.76Å; T411-I415 VanDerWaalsContact O-CG1 3.26Å; T411-I415 WeakPolarHBondContact O-CG1 3.5Å; T411-I415 PolarHBondContact O-N 3.39Å; K412-I415 PolarHBondContact O-N 3.21Å; I415-S417 VanDerWaalsContact C-N 3.34Å; I415-S417 PolarHBondContact O-N 3.29Å; I415-R418 PolarHBondContact O-N 3.35Å; I415-L419 HydrophobicContact CG2-CD1 4.11Å; I415-L419 HydrophobicContact CG2-CG 4.47Å; I415-L419 WeakPolarHBondContact O-CG 3.42Å; I415-L419 PolarHBondContact O-N 3.5Å; I415-L419 VanDerWaalsContact O-N 3.13Å; I415-L461 HydrophobicContact CD1-CD2 3.97Å; I415-L462 HydrophobicContact CD1-CD2 3.79Å; I415-L462 HydrophobicContact CD1-CG 4.33Å; I415-L462 HydrophobicContact CG2-CD2 4.46Å; I415-L465 HydrophobicContact CG2-CD1 3.61Å; I415-L497 HydrophobicContact CG2-CD2 4.35Å; I415-I500 HydrophobicContact CD1-CG2 4.4Å; I415-I500 HydrophobicContact CG1-CD1 4.21Å; I415-I500 HydrophobicContact CG1-CG2 4.3Å; I415-I500 HydrophobicContact CG2-CD1 4.38Å |
| 416 | T | 93.8 | Very high | 92.3 | Very high | 29 Ų | 29 | 30 Ų | 30 | 18% | 0.178 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62 | -42.3 | -177.4 | 55.1 | 0 | 0 | 0 | 0 | 111.8 | K412 A413 R418 L419 E420 | K412-T416 HydrophobicContact CG-CG2 4.26Å; K412-T416 WeakPolarHBondContact O-CG2 3.41Å; K412-T416 PolarHBondContact O-N 3.1Å; K412-T416 PolarHBondContact O-OG1 3.4Å; A413-T416 PolarHBondContact O-OG1 3.43Å; T416-R418 PolarHBondContact O-N 3.12Å; T416-L419 PolarHBondContact O-N 2.95Å; T416-E420 WeakPolarHBondContact O-CB 3.13Å; T416-E420 WeakPolarHBondContact O-CG 3.43Å; T416-E420 PolarHBondContact O-N 2.62Å |
| 417 | S | 91.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.1 | -45.3 | 177.3 | 173 | 0 | 0 | 0 | 0 | 112.1 | L368 A413 Y414 I415 L419 E420 S421 | L368-S417 WeakPolarHBondContact O-CB 3.32Å; L368-S417 PolarHBondContact O-OG 2.75Å; A413-S417 WeakPolarHBondContact O-CB 3.45Å; A413-S417 PolarHBondContact O-N 3.06Å; Y414-S417 PolarHBondContact O-N 2.86Å; I415-S417 VanDerWaalsContact C-N 3.34Å; I415-S417 PolarHBondContact O-N 3.29Å; S417-L419 PolarHBondContact O-N 2.95Å; S417-E420 PolarHBondContact O-N 3.39Å; S417-S421 WeakPolarHBondContact O-CB 3.3Å; S417-S421 PolarHBondContact O-N 3.39Å |
| 418 | R | 91.4 | Very high | 91.6 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.5 | -41.2 | 177.2 | -64.9 | -59.7 | 177 | -141.2 | 3.2 | 112.2 | Y414 I415 T416 S421 W496 | Y414-R418 HydrophobicContact CD1-CG 4.31Å; Y414-R418 HydrophobicContact CE1-CG 3.87Å; Y414-R418 WeakPolarHBondContact O-CG 3.09Å; Y414-R418 PolarHBondContact O-N 3.34Å; Y414-R418 VanDerWaalsContact O-N 3.13Å; I415-R418 PolarHBondContact O-N 3.35Å; T416-R418 PolarHBondContact O-N 3.12Å; R418-S421 PolarHBondContact O-N 2.95Å; R418-S421 PolarHBondContact O-OG 3.19Å; R418-W496 HydrophobicContact CB-CD2 3.89Å; R418-W496 HydrophobicContact CB-CE3 4.2Å; R418-W496 HydrophobicContact CB-CG 4.15Å; R418-W496 HydrophobicContact CG-CD2 4.32Å; R418-W496 HydrophobicContact CG-CE3 4.23Å; R418-W496 HydrophobicContact CG-CH2 4.36Å; R418-W496 HydrophobicContact CG-CZ2 4.44Å; R418-W496 HydrophobicContact CG-CZ3 4.26Å |
| 419 | L | 93 | Very high | 91.1 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.5 | -33.7 | 178.3 | -58.7 | -179.5 | 0 | 0 | 0 | 113.7 | I415 T416 S417 L465 R493 W496 L497 | I415-L419 HydrophobicContact CG2-CD1 4.11Å; I415-L419 HydrophobicContact CG2-CG 4.47Å; I415-L419 WeakPolarHBondContact O-CG 3.42Å; I415-L419 PolarHBondContact O-N 3.5Å; I415-L419 VanDerWaalsContact O-N 3.13Å; T416-L419 PolarHBondContact O-N 2.95Å; S417-L419 PolarHBondContact O-N 2.95Å; L419-L465 HydrophobicContact CD1-CB 4.19Å; L419-L465 HydrophobicContact CD1-CD1 3.92Å; L419-L465 HydrophobicContact CD1-CD2 4.41Å; L419-L465 HydrophobicContact CD1-CG 4.41Å; L419-R493 HydrophobicContact CB-CG 4.2Å; L419-R493 HydrophobicContact CD2-CB 4.02Å; L419-R493 HydrophobicContact CD2-CG 4.2Å; L419-R493 VanDerWaalsContact CD2-O 3.32Å; L419-R493 WeakPolarHBondContact CD2-O 3.19Å; L419-R493 PolarHBondContact O-NE 2.66Å; L419-R493 VanDerWaalsContact O-NE 3.13Å; L419-W496 HydrophobicContact CD2-CB 3.89Å; L419-L497 HydrophobicContact CD1-CD1 4.45Å; L419-L497 HydrophobicContact CD1-CD2 4.04Å; L419-L497 HydrophobicContact CD1-CG 4.3Å; L419-L497 HydrophobicContact CD2-CD1 4.35Å; L419-L497 HydrophobicContact CD2-CD2 4.26Å; L419-L497 HydrophobicContact CD2-CG 3.83Å |
| 420 | E | 90.5 | Very high | 90.6 | Very high | 116 Ų | 116 | 41.7 Ų | 41.7 | 54% | 0.542 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -72.2 | -38.7 | 175.2 | -72.9 | 170.1 | -174 | 0 | 0 | 111.1 | T416 S417 V422 H423 | T416-E420 WeakPolarHBondContact O-CB 3.13Å; T416-E420 WeakPolarHBondContact O-CG 3.43Å; T416-E420 PolarHBondContact O-N 2.62Å; S417-E420 PolarHBondContact O-N 3.39Å; E420-V422 VanDerWaalsContact C-N 3.26Å; E420-V422 PolarHBondContact O-N 3.24Å; E420-H423 PolarHBondContact O-N 3.44Å |
| 421 | S | 89 | Confident | 90 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.5 | -34.1 | -179.7 | 74.3 | 0 | 0 | 0 | 0 | 113.3 | S417 R418 H423 I424 I425 | S417-S421 WeakPolarHBondContact O-CB 3.3Å; S417-S421 PolarHBondContact O-N 3.39Å; R418-S421 PolarHBondContact O-N 2.95Å; R418-S421 PolarHBondContact O-OG 3.19Å; S421-H423 VanDerWaalsContact C-N 3.26Å; S421-H423 PolarHBondContact O-N 3.19Å; S421-I424 PolarHBondContact O-N 3.28Å; S421-I424 VanDerWaalsContact O-N 3.07Å; S421-I425 WeakPolarHBondContact O-CB 3.4Å; S421-I425 WeakPolarHBondContact O-CD1 3.31Å; S421-I425 VanDerWaalsContact O-CG1 3.25Å; S421-I425 WeakPolarHBondContact O-CG1 3.43Å; S421-I425 PolarHBondContact O-N 3.36Å |
| 422 | V | 90.8 | Very high | 89.4 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54.1 | -43.5 | -179 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | E420 L426 V489 R493 | E420-V422 VanDerWaalsContact C-N 3.26Å; E420-V422 PolarHBondContact O-N 3.24Å; V422-L426 HydrophobicContact CG1-CD1 3.93Å; V422-L426 WeakPolarHBondContact O-CB 3.32Å; V422-L426 VanDerWaalsContact O-CG 3.31Å; V422-L426 WeakPolarHBondContact O-CG 3.46Å; V422-L426 PolarHBondContact O-N 3.25Å; V422-L426 VanDerWaalsContact O-N 3.12Å; V422-V489 WeakPolarHBondContact CG1-O 3.34Å; V422-R493 HydrophobicContact CB-CG 4.45Å; V422-R493 HydrophobicContact CG2-CG 4.39Å |
| 423 | H | 88.5 | Confident | 88.8 | Confident | 71 Ų | 71 | 46.6 Ų | 46.6 | 33% | 0.329 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.7 | -39.3 | -178.6 | -176.3 | 63.5 | 0 | 0 | 0 | 111.9 | E420 S421 R427 V489 | E420-H423 PolarHBondContact O-N 3.44Å; S421-H423 VanDerWaalsContact C-N 3.26Å; S421-H423 PolarHBondContact O-N 3.19Å; H423-R427 WeakPolarHBondContact O-CB 3.49Å; H423-R427 PolarHBondContact O-N 3.36Å; H423-R427 VanDerWaalsContact O-N 3.1Å; H423-V489 HydrophobicContact CB-CG1 4.22Å; H423-V489 HydrophobicContact CB-CG2 4.38Å |
| 424 | I | 86.9 | Confident | 88.3 | Confident | 42 Ų | 42 | 47 Ų | 47 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.7 | -48.7 | 178.9 | -59.2 | 173.3 | 0 | 0 | 0 | 109.9 | S421 L426 R427 D428 L430 | S421-I424 PolarHBondContact O-N 3.28Å; S421-I424 VanDerWaalsContact O-N 3.07Å; I424-L426 PolarHBondContact O-N 3.08Å; I424-R427 PolarHBondContact O-N 3.44Å; I424-D428 WeakPolarHBondContact O-CB 3.31Å; I424-D428 PolarHBondContact O-N 2.87Å; I424-L430 HydrophobicContact CG2-CD1 4.13Å |
| 425 | I | 87.6 | Confident | 87.9 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.2 | -49.4 | -179.7 | -69.3 | 162.9 | 0 | 0 | 0 | 110.8 | W371 S421 R427 G429 L430 D432 P433 | W371-I425 HydrophobicContact CH2-CD1 4.25Å; W371-I425 HydrophobicContact CH2-CG1 3.94Å; W371-I425 HydrophobicContact CZ2-CG1 4.4Å; S421-I425 WeakPolarHBondContact O-CB 3.4Å; S421-I425 WeakPolarHBondContact O-CD1 3.31Å; S421-I425 VanDerWaalsContact O-CG1 3.25Å; S421-I425 WeakPolarHBondContact O-CG1 3.43Å; S421-I425 PolarHBondContact O-N 3.36Å; I425-R427 VanDerWaalsContact C-N 3.35Å; I425-R427 PolarHBondContact O-N 3.43Å; I425-G429 WeakPolarHBondContact O-CA 3.48Å; I425-G429 PolarHBondContact O-N 3.14Å; I425-L430 HydrophobicContact CG1-CB 4.34Å; I425-L430 WeakPolarHBondContact CG2-O 3.47Å; I425-L430 PolarHBondContact O-N 3.43Å; I425-L430 VanDerWaalsContact O-N 3.14Å; I425-D432 HydrophobicContact CG2-CB 4.03Å; I425-P433 HydrophobicContact CD1-CG 4.32Å |
| 426 | L | 87 | Confident | 87.4 | Confident | 70 Ų | 70 | 57 Ų | 57 | 37% | 0.366 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.3 | -35.7 | -179.9 | -69.4 | 173.1 | 0 | 0 | 0 | 112.2 | V422 I424 M485 A488 V489 | V422-L426 HydrophobicContact CG1-CD1 3.93Å; V422-L426 WeakPolarHBondContact O-CB 3.32Å; V422-L426 VanDerWaalsContact O-CG 3.31Å; V422-L426 WeakPolarHBondContact O-CG 3.46Å; V422-L426 PolarHBondContact O-N 3.25Å; V422-L426 VanDerWaalsContact O-N 3.12Å; I424-L426 PolarHBondContact O-N 3.08Å; L426-M485 VanDerWaalsContact C-CE 3.48Å; L426-M485 HydrophobicContact CB-CE 3.3Å; L426-M485 HydrophobicContact CB-SD 3.94Å; L426-A488 HydrophobicContact CD1-CB 3.97Å; L426-V489 HydrophobicContact CD1-CB 4.46Å; L426-V489 HydrophobicContact CD1-CG2 3.8Å |
| 427 | R | 87.5 | Confident | 86.8 | Confident | 146 Ų | 146 | 59.1 Ų | 59.1 | 55% | 0.551 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -74.2 | -43.5 | -176.6 | -176.4 | -168 | 69.9 | -157.8 | -5.6 | 111.3 | H423 I424 I425 M485 | H423-R427 WeakPolarHBondContact O-CB 3.49Å; H423-R427 PolarHBondContact O-N 3.36Å; H423-R427 VanDerWaalsContact O-N 3.1Å; I424-R427 PolarHBondContact O-N 3.44Å; I425-R427 VanDerWaalsContact C-N 3.35Å; I425-R427 PolarHBondContact O-N 3.43Å; R427-M485 HydrophobicContact CB-CE 4.11Å |
| 428 | D | 86.8 | Confident | 86.5 | Confident | 84 Ų | 84 | 61.1 Ų | 61.1 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -97.5 | -4.7 | -171.9 | -59.2 | -19.3 | 0 | 0 | 0 | 112.3 | I424 L430 | I424-D428 WeakPolarHBondContact O-CB 3.31Å; I424-D428 PolarHBondContact O-N 2.87Å; D428-L430 HydrophobicContact CB-CD1 4.5Å; D428-L430 HydrophobicContact CB-CG 4.1Å |
| 429 | G | 83.4 | Confident | 86.1 | Confident | 67 Ų | 67 | 62.7 Ų | 62.7 | 69% | 0.691 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 33.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I425 | I425-G429 WeakPolarHBondContact O-CA 3.48Å; I425-G429 PolarHBondContact O-N 3.14Å |
| 430 | L | 84.4 | Confident | 85.8 | Confident | 78 Ų | 78 | 62.6 Ų | 62.6 | 41% | 0.408 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 164.1 | 179.2 | -56.7 | 177 | 0 | 0 | 0 | 111.2 | W371 I424 I425 D428 D432 | W371-L430 HydrophobicContact CH2-CD1 4.14Å; I424-L430 HydrophobicContact CG2-CD1 4.13Å; I425-L430 HydrophobicContact CG1-CB 4.34Å; I425-L430 WeakPolarHBondContact CG2-O 3.47Å; I425-L430 PolarHBondContact O-N 3.43Å; I425-L430 VanDerWaalsContact O-N 3.14Å; D428-L430 HydrophobicContact CB-CD1 4.5Å; D428-L430 HydrophobicContact CB-CG 4.1Å; L430-D432 PolarHBondContact O-N 3.05Å |
| 431 | E | 82.8 | Confident | 85.6 | Confident | 171 Ų | 171 | 59.8 Ų | 59.8 | 80% | 0.799 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 127.1 | 172.9 | -170.3 | 174.2 | -173.1 | 0 | 0 | 110.1 | P433 | E431-P433 WeakPolarHBondContact O-CD 3.25Š|
| 432 | D | 82.5 | Confident | 85.6 | Confident | 22 Ų | 22 | 62.5 Ų | 62.5 | 12% | 0.118 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -83.7 | 120 | -178.9 | -175.4 | -8.5 | 0 | 0 | 0 | 110.1 | I425 L430 L434 E435 K546 | I425-D432 HydrophobicContact CG2-CB 4.03Å; L430-D432 PolarHBondContact O-N 3.05Å; D432-L434 PolarHBondContact O-N 3.39Å; D432-L434 WeakPolarHBondContact OD1-CB 3.36Å; D432-L434 PolarHBondContact OD1-N 3.1Å; D432-E435 HydrophobicContact CB-CG 4.21Å; D432-E435 WeakPolarHBondContact O-CB 3.49Å; D432-E435 PolarHBondContact O-N 2.69Å; D432-K546 IonicContact OD2-NZ 2.69Å; D432-K546 PolarHBondContact OD2-NZ 3.12Å |
| 433 | P | 83 | Confident | 85.5 | Confident | 30 Ų | 30 | 62.3 Ų | 62.3 | 20% | 0.195 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -58.5 | -22.5 | 178.3 | -20 | 30 | 0 | 0 | 0 | 113.7 | I425 E431 E435 D436 V440 W496 | I425-P433 HydrophobicContact CD1-CG 4.32Å; E431-P433 WeakPolarHBondContact O-CD 3.25Å; P433-E435 PolarHBondContact O-N 3.23Å; P433-D436 PolarHBondContact O-N 3.49Å; P433-V440 WeakPolarHBondContact O-CG2 3.29Å; P433-W496 HydrophobicContact CB-CZ2 4.12Å |
| 434 | L | 85.4 | Confident | 85.7 | Confident | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -65.4 | -15 | 176 | -68.4 | 172.1 | 0 | 0 | 0 | 113.8 | D432 T495 W496 Y499 | D432-L434 PolarHBondContact O-N 3.39Å; D432-L434 WeakPolarHBondContact OD1-CB 3.36Å; D432-L434 PolarHBondContact OD1-N 3.1Å; L434-T495 HydrophobicContact CD1-CG2 3.8Å; L434-T495 HydrophobicContact CD2-CG2 4.36Å; L434-W496 HydrophobicContact CD2-CD2 3.85Å; L434-W496 HydrophobicContact CD2-CE3 4.19Å; L434-W496 HydrophobicContact CD2-CG 4.41Å; L434-W496 HydrophobicContact CD2-CH2 4Å; L434-W496 HydrophobicContact CD2-CZ2 3.64Å; L434-W496 HydrophobicContact CD2-CZ3 4.26Å; L434-W496 HydrophobicContact CG-CD2 4.43Å; L434-W496 HydrophobicContact CG-CZ2 3.81Å; L434-Y499 HydrophobicContact CD2-CD2 3.95Å; L434-Y499 HydrophobicContact CD2-CE2 4.04Å |
| 435 | E | 84.4 | Confident | 85.8 | Confident | 125 Ų | 125 | 60.3 Ų | 60.3 | 58% | 0.584 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -77.2 | -29.6 | 177.7 | -65 | 179.3 | -174.1 | 0 | 0 | 111.8 | D432 P433 T437 K546 | D432-E435 HydrophobicContact CB-CG 4.21Å; D432-E435 WeakPolarHBondContact O-CB 3.49Å; D432-E435 PolarHBondContact O-N 2.69Å; P433-E435 PolarHBondContact O-N 3.23Å; E435-T437 PolarHBondContact O-N 3.04Å; E435-T437 VanDerWaalsContact O-N 3.14Å; E435-K546 IonicContact OE1-NZ 3.87Å; E435-K546 PolarHBondContact OE1-NZ 2.8Å; E435-K546 VanDerWaalsContact OE1-NZ 3.08Å |
| 436 | D | 84.9 | Confident | 86 | Confident | 87 Ų | 87 | 60.3 Ų | 60.3 | 47% | 0.465 | 33% | 0.328 | S | S | . | . | trans | -86.6 | 78.6 | 170.2 | -169.8 | -15 | 0 | 0 | 0 | 111.1 | P433 G438 L439 V440 | P433-D436 PolarHBondContact O-N 3.49Å; D436-G438 PolarHBondContact O-N 3.31Å; D436-G438 VanDerWaalsContact O-N 3.11Å; D436-G438 PolarHBondContact OD1-N 3.49Å; D436-G438 VanDerWaalsContact OD1-N 3.14Å; D436-L439 HydrophobicContact CB-CB 4.06Å; D436-L439 VanDerWaalsContact CG-CB 3.43Å; D436-L439 PolarHBondContact O-N 3Å; D436-L439 PolarHBondContact OD1-N 3.13Å; D436-L439 WeakPolarHBondContact OD2-CB 3.32Å; D436-V440 WeakPolarHBondContact O-CG2 3.47Å; D436-V440 PolarHBondContact O-N 3.44Å | ||
| 437 | T | 80.8 | Confident | 86.3 | Confident | 74 Ų | 74 | 57 Ų | 57 | 45% | 0.454 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.4 | -25.6 | 178.8 | 58 | 0 | 0 | 0 | 0 | 114.1 | E435 Q441 | E435-T437 PolarHBondContact O-N 3.04Å; E435-T437 VanDerWaalsContact O-N 3.14Å; T437-Q441 WeakPolarHBondContact O-CB 3.29Å; T437-Q441 PolarHBondContact O-N 3.09Å; T437-Q441 VanDerWaalsContact O-N 3.11Å |
| 438 | G | 85 | Confident | 86.6 | Confident | 46 Ų | 46 | 50.4 Ų | 50.4 | 47% | 0.474 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -72.8 | -50.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D436 V440 Q441 Q442 | D436-G438 PolarHBondContact O-N 3.31Å; D436-G438 VanDerWaalsContact O-N 3.11Å; D436-G438 PolarHBondContact OD1-N 3.49Å; D436-G438 VanDerWaalsContact OD1-N 3.14Å; G438-V440 PolarHBondContact O-N 2.95Å; G438-Q441 PolarHBondContact O-N 2.95Å; G438-Q442 PolarHBondContact O-N 3.23Å |
| 439 | L | 83.9 | Confident | 86.8 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 25% | 0.246 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 176 | -178.6 | 66.3 | 0 | 0 | 0 | 111.8 | D436 Q442 Q443 | D436-L439 HydrophobicContact CB-CB 4.06Å; D436-L439 VanDerWaalsContact CG-CB 3.43Å; D436-L439 PolarHBondContact O-N 3Å; D436-L439 PolarHBondContact OD1-N 3.13Å; D436-L439 WeakPolarHBondContact OD2-CB 3.32Å; L439-Q442 PolarHBondContact O-N 3.25Å; L439-Q443 WeakPolarHBondContact O-CG 3.3Å; L439-Q443 PolarHBondContact O-N 3.07Å |
| 440 | V | 86.8 | Confident | 87.2 | Confident | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -48.7 | 177.2 | 173 | 0 | 0 | 0 | 0 | 110.8 | P433 D436 G438 Q442 Q443 L444 W496 | P433-V440 WeakPolarHBondContact O-CG2 3.29Å; D436-V440 WeakPolarHBondContact O-CG2 3.47Å; D436-V440 PolarHBondContact O-N 3.44Å; G438-V440 PolarHBondContact O-N 2.95Å; V440-Q442 VanDerWaalsContact C-N 3.29Å; V440-Q442 PolarHBondContact O-N 3.42Å; V440-Q443 PolarHBondContact O-N 3.24Å; V440-L444 HydrophobicContact CG1-CD1 3.55Å; V440-L444 HydrophobicContact CG1-CG 4.03Å; V440-L444 VanDerWaalsContact O-CB 3.3Å; V440-L444 WeakPolarHBondContact O-CB 3.3Å; V440-L444 WeakPolarHBondContact O-CG 3.49Å; V440-L444 PolarHBondContact O-N 3.3Å; V440-W496 HydrophobicContact CG1-CH2 4.26Å; V440-W496 HydrophobicContact CG1-CZ3 4.07Å; V440-W496 HydrophobicContact CG2-CH2 3.92Å |
| 441 | Q | 87.1 | Confident | 87.5 | Confident | 58 Ų | 58 | 41.3 Ų | 41.3 | 27% | 0.271 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.3 | -43 | 178.8 | -173.2 | 61.5 | 43.5 | 0 | 0 | 111.4 | T437 G438 L444 D445 | T437-Q441 WeakPolarHBondContact O-CB 3.29Å; T437-Q441 PolarHBondContact O-N 3.09Å; T437-Q441 VanDerWaalsContact O-N 3.11Å; G438-Q441 PolarHBondContact O-N 2.95Å; Q441-L444 PolarHBondContact O-N 3.4Å; Q441-D445 PolarHBondContact NE2-OD1 3.19Å; Q441-D445 WeakPolarHBondContact O-CB 3.28Å; Q441-D445 PolarHBondContact O-N 3.36Å |
| 442 | Q | 87.6 | Confident | 87.9 | Confident | 56 Ų | 56 | 34.8 Ų | 34.8 | 26% | 0.262 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62 | -46.1 | 178.3 | -165.2 | -170 | 33.2 | 0 | 0 | 112.3 | D242 H379 G438 L439 V440 D445 Q446 | D242-Q442 PolarHBondContact OD1-NE2 3.23Å; H379-Q442 PolarHBondContact CE1-NE2 3.44Å; H379-Q442 PolarHBondContact ND1-OE1 3.31Å; G438-Q442 PolarHBondContact O-N 3.23Å; L439-Q442 PolarHBondContact O-N 3.25Å; V440-Q442 VanDerWaalsContact C-N 3.29Å; V440-Q442 PolarHBondContact O-N 3.42Å; Q442-D445 PolarHBondContact O-N 3.39Å; Q442-Q446 WeakPolarHBondContact O-CG 3.47Å; Q442-Q446 PolarHBondContact O-N 3Å |
| 443 | Q | 89.9 | Confident | 88.2 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.8 | -38.7 | 177.3 | -70.1 | -174.9 | 13 | 0 | 0 | 111.9 | L382 Y414 L439 V440 Q446 L447 | L382-Q443 HydrophobicContact CD1-CB 4.13Å; L382-Q443 HydrophobicContact CD1-CG 4.1Å; Y414-Q443 PolarHBondContact OH-OE1 3.49Å; Y414-Q443 VanDerWaalsContact OH-OE1 3.07Å; L439-Q443 WeakPolarHBondContact O-CG 3.3Å; L439-Q443 PolarHBondContact O-N 3.07Å; V440-Q443 PolarHBondContact O-N 3.24Å; Q443-Q446 WeakPolarHBondContact O-CB 3.43Å; Q443-Q446 PolarHBondContact O-N 3.05Å; Q443-L447 WeakPolarHBondContact O-CB 3.21Å; Q443-L447 PolarHBondContact O-N 3.48Å |
| 444 | L | 91.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.8 | -38.3 | 178.1 | -73.5 | 178.9 | 0 | 0 | 0 | 112.4 | V440 Q441 Q446 L447 S448 Y499 I500 A503 | V440-L444 HydrophobicContact CG1-CD1 3.55Å; V440-L444 HydrophobicContact CG1-CG 4.03Å; V440-L444 VanDerWaalsContact O-CB 3.3Å; V440-L444 WeakPolarHBondContact O-CB 3.3Å; V440-L444 WeakPolarHBondContact O-CG 3.49Å; V440-L444 PolarHBondContact O-N 3.3Å; Q441-L444 PolarHBondContact O-N 3.4Å; L444-Q446 VanDerWaalsContact C-N 3.31Å; L444-Q446 PolarHBondContact O-N 3.46Å; L444-L447 HydrophobicContact CD2-CD2 4.4Å; L444-L447 PolarHBondContact O-N 2.93Å; L444-S448 WeakPolarHBondContact O-CB 3.24Å; L444-S448 PolarHBondContact O-N 3.14Å; L444-Y499 HydrophobicContact CD1-CD1 4.1Å; L444-Y499 HydrophobicContact CD1-CG 4.2Å; L444-I500 HydrophobicContact CD2-CB 4.41Å; L444-I500 HydrophobicContact CD2-CG1 3.63Å; L444-A503 HydrophobicContact CB-CB 3.66Å; L444-A503 HydrophobicContact CD1-CB 4.37Å; L444-A503 HydrophobicContact CD2-CB 4.24Å; L444-A503 HydrophobicContact CG-CB 4.31Å |
| 445 | D | 90.1 | Very high | 88.8 | Confident | 70 Ų | 70 | 35.5 Ų | 35.5 | 37% | 0.374 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.6 | -40.4 | 174.2 | -71.8 | -16.9 | 0 | 0 | 0 | 110.8 | Q441 Q442 S448 | Q441-D445 PolarHBondContact NE2-OD1 3.19Å; Q441-D445 WeakPolarHBondContact O-CB 3.28Å; Q441-D445 PolarHBondContact O-N 3.36Å; Q442-D445 PolarHBondContact O-N 3.39Å; D445-S448 PolarHBondContact O-OG 2.94Å |
| 446 | Q | 91.4 | Very high | 89.2 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.1 | -50.3 | 173.3 | -66.7 | 173.7 | -28.4 | 0 | 0 | 111.7 | H379 L382 Q386 Q442 Q443 L444 S448 T449 I450 | H379-Q446 PolarHBondContact CE1-NE2 3.36Å; H379-Q446 PolarHBondContact ND1-NE2 2.98Å; H379-Q446 VanDerWaalsContact ND1-NE2 3.2Å; H379-Q446 PolarHBondContact NE2-NE2 2.77Å; L382-Q446 HydrophobicContact CB-CB 4.05Å; Q386-Q446 HydrophobicContact CB-CB 4.26Å; Q386-Q446 HydrophobicContact CG-CB 4.43Å; Q442-Q446 WeakPolarHBondContact O-CG 3.47Å; Q442-Q446 PolarHBondContact O-N 3Å; Q443-Q446 WeakPolarHBondContact O-CB 3.43Å; Q443-Q446 PolarHBondContact O-N 3.05Å; L444-Q446 VanDerWaalsContact C-N 3.31Å; L444-Q446 PolarHBondContact O-N 3.46Å; Q446-S448 VanDerWaalsContact C-N 3.29Å; Q446-S448 PolarHBondContact O-N 3.36Å; Q446-T449 PolarHBondContact O-N 2.91Å; Q446-I450 WeakPolarHBondContact O-CG1 3.26Å; Q446-I450 PolarHBondContact O-N 3.48Å |
| 447 | L | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.4 | -39.2 | 179.5 | -175.2 | 72.6 | 0 | 0 | 0 | 112 | T411 Y414 Q443 L444 T449 I450 G451 I500 | T411-L447 HydrophobicContact CG2-CD1 4.27Å; Y414-L447 HydrophobicContact CD1-CD1 3.82Å; Y414-L447 HydrophobicContact CD1-CD2 3.48Å; Y414-L447 VanDerWaalsContact CD1-CD2 3.48Å; Y414-L447 HydrophobicContact CD1-CG 4.22Å; Y414-L447 HydrophobicContact CE1-CD2 3.59Å; Y414-L447 HydrophobicContact CG-CD1 3.94Å; Y414-L447 HydrophobicContact CG-CD2 4.41Å; Q443-L447 WeakPolarHBondContact O-CB 3.21Å; Q443-L447 PolarHBondContact O-N 3.48Å; L444-L447 HydrophobicContact CD2-CD2 4.4Å; L444-L447 PolarHBondContact O-N 2.93Å; L447-T449 PolarHBondContact O-N 3.23Å; L447-I450 PolarHBondContact O-N 3.2Å; L447-I450 VanDerWaalsContact O-N 3.09Å; L447-G451 PolarHBondContact O-N 2.92Å; L447-I500 HydrophobicContact CD2-CG1 4.2Å; L447-I500 HydrophobicContact CD2-CG2 3.94Å |
| 448 | S | 92.6 | Very high | 90.3 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 5% | 0.049 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.1 | -39.6 | -178.8 | 75 | 0 | 0 | 0 | 0 | 112.3 | L444 D445 Q446 R452 A503 | L444-S448 WeakPolarHBondContact O-CB 3.24Å; L444-S448 PolarHBondContact O-N 3.14Å; D445-S448 PolarHBondContact O-OG 2.94Å; Q446-S448 VanDerWaalsContact C-N 3.29Å; Q446-S448 PolarHBondContact O-N 3.36Å; S448-R452 WeakPolarHBondContact O-CB 3.33Å; S448-R452 VanDerWaalsContact O-CG 3.29Å; S448-R452 WeakPolarHBondContact O-CG 3.46Å; S448-R452 PolarHBondContact O-N 2.89Å; S448-A503 WeakPolarHBondContact CB-O 3.36Å |
| 449 | T | 91.4 | Very high | 90.7 | Very high | 39 Ų | 39 | 32.2 Ų | 32.2 | 24% | 0.239 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73.7 | -40.5 | 178.8 | -53.8 | 0 | 0 | 0 | 0 | 111 | Q386 A389 A390 Q446 L447 C453 | Q386-T449 HydrophobicContact CG-CG2 3.98Å; A389-T449 HydrophobicContact CB-CG2 4.42Å; A390-T449 HydrophobicContact CB-CG2 3.92Å; Q446-T449 PolarHBondContact O-N 2.91Å; L447-T449 PolarHBondContact O-N 3.23Å; T449-C453 PolarHBondContact O-N 3.02Å |
| 450 | I | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.8 | -50 | 179.2 | -58.7 | 165.8 | 0 | 0 | 0 | 110 | L382 W385 Q386 T407 Q446 L447 R452 C453 | L382-I450 HydrophobicContact CD2-CD1 4.09Å; W385-I450 HydrophobicContact CB-CD1 3.55Å; W385-I450 HydrophobicContact CB-CG1 3.86Å; W385-I450 HydrophobicContact CB-CG2 4.48Å; Q386-I450 HydrophobicContact CB-CG1 4.32Å; T407-I450 HydrophobicContact CG2-CG2 4.27Å; Q446-I450 WeakPolarHBondContact O-CG1 3.26Å; Q446-I450 PolarHBondContact O-N 3.48Å; L447-I450 PolarHBondContact O-N 3.2Å; L447-I450 VanDerWaalsContact O-N 3.09Å; I450-R452 VanDerWaalsContact C-N 3.25Å; I450-R452 PolarHBondContact O-N 2.86Å; I450-C453 VanDerWaalsContact O-CB 3.23Å; I450-C453 WeakPolarHBondContact O-CB 3.39Å; I450-C453 PolarHBondContact O-N 3.43Å; I450-C453 VanDerWaalsContact O-N 3.12Å |
| 451 | G | 90.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.6 | -28.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | L447 C453 Y455 T458 | L447-G451 PolarHBondContact O-N 2.92Å; G451-C453 VanDerWaalsContact C-N 3.34Å; G451-Y455 WeakPolarHBondContact O-CA 3.41Å; G451-T458 WeakPolarHBondContact O-CB 3.44Å; G451-T458 PolarHBondContact O-OG1 2.99Å |
| 452 | R | 89.9 | Confident | 92.3 | Very high | 33 Ų | 33 | 31.1 Ų | 31.1 | 13% | 0.125 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -77.9 | -13.1 | 175.6 | -80.4 | -177.3 | 174.9 | -97.2 | -9.4 | 114.9 | S448 I450 E454 Y455 V504 I505 G507 R508 D521 | S448-R452 WeakPolarHBondContact O-CB 3.33Å; S448-R452 VanDerWaalsContact O-CG 3.29Å; S448-R452 WeakPolarHBondContact O-CG 3.46Å; S448-R452 PolarHBondContact O-N 2.89Å; I450-R452 VanDerWaalsContact C-N 3.25Å; I450-R452 PolarHBondContact O-N 2.86Å; R452-E454 PolarHBondContact O-N 2.87Å; R452-Y455 HydrophobicContact CG-CD2 4.21Å; R452-Y455 HydrophobicContact CG-CG 4.48Å; R452-V504 HydrophobicContact CG-CG1 4.21Å; R452-V504 PolarHBondContact NE-O 3.34Å; R452-V504 PolarHBondContact NH2-O 3.21Å; R452-I505 PolarHBondContact NH2-O 3.41Å; R452-G507 VanDerWaalsContact CD-C 3.47Å; R452-G507 WeakPolarHBondContact CD-O 3.36Å; R452-G507 PolarHBondContact NE-O 2.97Å; R452-R508 VanDerWaalsContact CZ-CB 3.46Å; R452-R508 VanDerWaalsContact NH1-CB 3.27Å; R452-D521 IonicContact NH2-OD1 3.18Å; R452-D521 IonicContact NH2-OD2 2.82Å |
| 453 | C | 88.8 | Confident | 92.7 | Very high | 32 Ų | 32 | 30 Ų | 30 | 22% | 0.216 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -38.8 | 174.9 | -169.7 | 0 | 0 | 0 | 0 | 111.3 | A389 T407 T449 I450 G451 | A389-C453 HydrophobicContact CB-CB 4.07Å; T407-C453 HydrophobicContact CG2-CB 4.23Å; T449-C453 PolarHBondContact O-N 3.02Å; I450-C453 VanDerWaalsContact O-CB 3.23Å; I450-C453 WeakPolarHBondContact O-CB 3.39Å; I450-C453 PolarHBondContact O-N 3.43Å; I450-C453 VanDerWaalsContact O-N 3.12Å; G451-C453 VanDerWaalsContact C-N 3.34Å |
| 454 | E | 90.1 | Very high | 93.1 | Very high | 42 Ų | 42 | 35.7 Ų | 35.7 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | 64.8 | 179.5 | -77.8 | -71.8 | 130.1 | 0 | 0 | 108.9 | E404 P408 R452 E456 K457 T458 | E404-E454 HydrophobicContact CB-CG 4.16Å; E404-E454 WeakPolarHBondContact CB-OE1 3.08Å; E404-E454 VanDerWaalsContact CG-OE1 3.31Å; E404-E454 WeakPolarHBondContact CG-OE1 3.38Å; E404-E454 WeakPolarHBondContact O-CG 3.42Å; P408-E454 HydrophobicContact CG-CB 3.73Å; P408-E454 HydrophobicContact CG-CG 3.88Å; R452-E454 PolarHBondContact O-N 2.87Å; E454-E456 VanDerWaalsContact C-N 3.31Å; E454-E456 PolarHBondContact O-N 3.3Å; E454-K457 HydrophobicContact CB-CD 4.42Å; E454-K457 PolarHBondContact O-N 3.02Å; E454-K457 IonicContact OE2-NZ 3.46Å; E454-K457 PolarHBondContact OE2-NZ 2.7Å; E454-T458 PolarHBondContact O-N 3.4Å; E454-T458 PolarHBondContact O-OG1 3.26Å |
| 455 | Y | 91.4 | Very high | 93.3 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.5 | -34.7 | -161.2 | -167 | -142.6 | 0 | 0 | 0 | 113.9 | G451 R452 K457 T458 C459 V504 Q517 M520 D521 | G451-Y455 WeakPolarHBondContact O-CA 3.41Å; R452-Y455 HydrophobicContact CG-CD2 4.21Å; R452-Y455 HydrophobicContact CG-CG 4.48Å; Y455-K457 PolarHBondContact O-N 3.43Å; Y455-T458 PolarHBondContact O-N 3.3Å; Y455-C459 WeakPolarHBondContact CE2-SG 3.41Å; Y455-C459 WeakPolarHBondContact O-CB 3.4Å; Y455-C459 PolarHBondContact O-N 3.16Å; Y455-C459 PolarHBondContact O-SG 3.24Å; Y455-C459 VanDerWaalsContact O-SG 3.36Å; Y455-V504 HydrophobicContact CD2-CG1 3.93Å; Y455-V504 HydrophobicContact CE2-CG1 3.21Å; Y455-Q517 HydrophobicContact CD1-CB 3.99Å; Y455-Q517 HydrophobicContact CD1-CG 3.91Å; Y455-Q517 HydrophobicContact CE1-CB 4.3Å; Y455-M520 HydrophobicContact CD1-CE 3.79Å; Y455-M520 HydrophobicContact CE1-CB 4.38Å; Y455-M520 HydrophobicContact CE1-CE 4.45Å; Y455-M520 HydrophobicContact CG-CE 4.4Å; Y455-D521 WeakPolarHBondContact CE1-OD1 3.48Å; Y455-D521 PolarHBondContact OH-OD1 2.89Å |
| 456 | E | 92.6 | Very high | 93.7 | Very high | 149 Ų | 149 | 33.7 Ų | 33.7 | 70% | 0.696 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -57.7 | -47.4 | 178.3 | -173.5 | -177.4 | 178 | 0 | 0 | 112.7 | E454 T458 C459 A460 M520 | E454-E456 VanDerWaalsContact C-N 3.31Å; E454-E456 PolarHBondContact O-N 3.3Å; E456-T458 VanDerWaalsContact C-N 3.34Å; E456-T458 PolarHBondContact O-N 2.98Å; E456-C459 PolarHBondContact O-N 2.9Å; E456-A460 WeakPolarHBondContact O-CB 3.24Å; E456-A460 PolarHBondContact O-N 3.11Å; E456-M520 HydrophobicContact CB-SD 4.13Å; E456-M520 HydrophobicContact CG-SD 4.31Å |
| 457 | K | 93.8 | Very high | 93.9 | Very high | 106 Ų | 106 | 36.4 Ų | 36.4 | 46% | 0.461 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 178.3 | -66.6 | 172.9 | -175.4 | 142.1 | 0 | 111.3 | E404 P408 E454 Y455 L461 | E404-K457 PolarHBondContact O-NZ 3.1Å; P408-K457 HydrophobicContact CB-CB 4.37Å; P408-K457 HydrophobicContact CB-CD 4.01Å; P408-K457 HydrophobicContact CG-CD 3.68Å; E454-K457 HydrophobicContact CB-CD 4.42Å; E454-K457 PolarHBondContact O-N 3.02Å; E454-K457 IonicContact OE2-NZ 3.46Å; E454-K457 PolarHBondContact OE2-NZ 2.7Å; Y455-K457 PolarHBondContact O-N 3.43Å; K457-L461 WeakPolarHBondContact O-CB 3.45Å; K457-L461 PolarHBondContact O-N 2.96Å; K457-L461 VanDerWaalsContact O-N 3.11Å |
| 458 | T | 94.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.2 | -46.3 | 177 | -59 | 0 | 0 | 0 | 0 | 111.3 | T411 G451 E454 Y455 E456 L461 L462 | T411-T458 HydrophobicContact CG2-CG2 3.86Å; G451-T458 WeakPolarHBondContact O-CB 3.44Å; G451-T458 PolarHBondContact O-OG1 2.99Å; E454-T458 PolarHBondContact O-N 3.4Å; E454-T458 PolarHBondContact O-OG1 3.26Å; Y455-T458 PolarHBondContact O-N 3.3Å; E456-T458 VanDerWaalsContact C-N 3.34Å; E456-T458 PolarHBondContact O-N 2.98Å; T458-L461 PolarHBondContact O-N 3.41Å; T458-L462 HydrophobicContact CG2-CD1 4.1Å; T458-L462 WeakPolarHBondContact O-CG 3.49Å; T458-L462 PolarHBondContact O-N 3.29Å |
| 459 | C | 95 | Very high | 94.2 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -47.6 | 176.8 | -75.1 | 0 | 0 | 0 | 0 | 112.2 | Y455 E456 L461 L462 V463 M520 | Y455-C459 WeakPolarHBondContact CE2-SG 3.41Å; Y455-C459 WeakPolarHBondContact O-CB 3.4Å; Y455-C459 PolarHBondContact O-N 3.16Å; Y455-C459 PolarHBondContact O-SG 3.24Å; Y455-C459 VanDerWaalsContact O-SG 3.36Å; E456-C459 PolarHBondContact O-N 2.9Å; C459-L461 VanDerWaalsContact C-N 3.28Å; C459-L461 PolarHBondContact O-N 3.09Å; C459-L462 PolarHBondContact O-N 3.45Å; C459-V463 WeakPolarHBondContact O-CB 3.33Å; C459-V463 WeakPolarHBondContact O-CG2 3.47Å; C459-V463 PolarHBondContact O-N 3.39Å; C459-M520 HydrophobicContact CB-CB 4.3Å; C459-M520 HydrophobicContact CB-SD 4.02Å |
| 460 | A | 96.2 | Very high | 94.4 | Very high | 62 Ų | 62 | 40.5 Ų | 40.5 | 51% | 0.512 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.3 | -42 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E456 Q464 | E456-A460 WeakPolarHBondContact O-CB 3.24Å; E456-A460 PolarHBondContact O-N 3.11Å; A460-Q464 WeakPolarHBondContact O-CB 3.24Å; A460-Q464 PolarHBondContact O-N 3.38Å; A460-Q464 VanDerWaalsContact O-N 3.07Å |
| 461 | L | 96.6 | Very high | 94.4 | Very high | 26 Ų | 26 | 46 Ų | 46 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64 | -47.5 | 175.4 | 178.1 | 67.6 | 0 | 0 | 0 | 112.2 | K412 I415 K457 T458 C459 V463 Q464 L465 | K412-L461 HydrophobicContact CB-CD2 3.7Å; K412-L461 HydrophobicContact CG-CD1 4.28Å; K412-L461 HydrophobicContact CG-CD2 3.76Å; I415-L461 HydrophobicContact CD1-CD2 3.97Å; K457-L461 WeakPolarHBondContact O-CB 3.45Å; K457-L461 PolarHBondContact O-N 2.96Å; K457-L461 VanDerWaalsContact O-N 3.11Å; T458-L461 PolarHBondContact O-N 3.41Å; C459-L461 VanDerWaalsContact C-N 3.28Å; C459-L461 PolarHBondContact O-N 3.09Å; L461-V463 VanDerWaalsContact C-N 3.35Å; L461-V463 PolarHBondContact O-N 3.23Å; L461-Q464 PolarHBondContact O-N 2.99Å; L461-L465 HydrophobicContact CD1-CD1 3.8Å; L461-L465 HydrophobicContact CD1-CG 4.13Å; L461-L465 HydrophobicContact CG-CD1 3.89Å; L461-L465 HydrophobicContact CG-CG 4.5Å; L461-L465 WeakPolarHBondContact O-CG 3.44Å; L461-L465 PolarHBondContact O-N 3.24Å |
| 462 | L | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -43 | 179.8 | -73.4 | 173.8 | 0 | 0 | 0 | 111.6 | I415 T458 C459 L465 F466 L497 I500 I501 L524 | I415-L462 HydrophobicContact CD1-CD2 3.79Å; I415-L462 HydrophobicContact CD1-CG 4.33Å; I415-L462 HydrophobicContact CG2-CD2 4.46Å; T458-L462 HydrophobicContact CG2-CD1 4.1Å; T458-L462 WeakPolarHBondContact O-CG 3.49Å; T458-L462 PolarHBondContact O-N 3.29Å; C459-L462 PolarHBondContact O-N 3.45Å; L462-L465 PolarHBondContact O-N 2.97Å; L462-F466 WeakPolarHBondContact O-CB 3.24Å; L462-F466 PolarHBondContact O-N 2.9Å; L462-L497 HydrophobicContact CD2-CD2 4.12Å; L462-I500 HydrophobicContact CD1-CG2 4.39Å; L462-I500 HydrophobicContact CD2-CG2 3.76Å; L462-I501 HydrophobicContact CD1-CG1 4.22Å; L462-L524 HydrophobicContact CB-CD2 3.93Å; L462-L524 HydrophobicContact CD1-CD1 4.3Å |
| 463 | V | 97.2 | Very high | 94.7 | Very high | 32 Ų | 32 | 46.7 Ų | 46.7 | 19% | 0.194 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.9 | -51 | 174.5 | 163 | 0 | 0 | 0 | 0 | 110.6 | C459 L461 L465 F466 D467 L524 R527 | C459-V463 WeakPolarHBondContact O-CB 3.33Å; C459-V463 WeakPolarHBondContact O-CG2 3.47Å; C459-V463 PolarHBondContact O-N 3.39Å; L461-V463 VanDerWaalsContact C-N 3.35Å; L461-V463 PolarHBondContact O-N 3.23Å; V463-L465 PolarHBondContact O-N 3.45Å; V463-F466 PolarHBondContact O-N 2.92Å; V463-D467 WeakPolarHBondContact O-CB 3.48Å; V463-D467 VanDerWaalsContact O-CG 3.23Å; V463-D467 PolarHBondContact O-N 3.22Å; V463-L524 HydrophobicContact CG2-CD2 3.84Å; V463-R527 VanDerWaalsContact CG1-NH2 3.27Å |
| 464 | Q | 97.3 | Very high | 94.9 | Very high | 128 Ų | 128 | 49.2 Ų | 49.2 | 60% | 0.598 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.4 | -49.2 | -179.3 | -177.5 | -175.4 | -1.4 | 0 | 0 | 112.3 | A460 L461 Q468 | A460-Q464 WeakPolarHBondContact O-CB 3.24Å; A460-Q464 PolarHBondContact O-N 3.38Å; A460-Q464 VanDerWaalsContact O-N 3.07Å; L461-Q464 PolarHBondContact O-N 2.99Å; Q464-Q468 WeakPolarHBondContact O-CB 3.33Å; Q464-Q468 PolarHBondContact O-N 3.37Å; Q464-Q468 VanDerWaalsContact O-N 3.1Å |
| 465 | L | 97.3 | Very high | 95 | Very high | 24 Ų | 24 | 52.3 Ų | 52.3 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.8 | -35.2 | -177.2 | -67.6 | 174.2 | 0 | 0 | 0 | 112.4 | I415 L419 L461 L462 V463 S469 L497 | I415-L465 HydrophobicContact CG2-CD1 3.61Å; L419-L465 HydrophobicContact CD1-CB 4.19Å; L419-L465 HydrophobicContact CD1-CD1 3.92Å; L419-L465 HydrophobicContact CD1-CD2 4.41Å; L419-L465 HydrophobicContact CD1-CG 4.41Å; L461-L465 HydrophobicContact CD1-CD1 3.8Å; L461-L465 HydrophobicContact CD1-CG 4.13Å; L461-L465 HydrophobicContact CG-CD1 3.89Å; L461-L465 HydrophobicContact CG-CG 4.5Å; L461-L465 WeakPolarHBondContact O-CG 3.44Å; L461-L465 PolarHBondContact O-N 3.24Å; L462-L465 PolarHBondContact O-N 2.97Å; V463-L465 PolarHBondContact O-N 3.45Å; L465-S469 WeakPolarHBondContact O-CB 3.34Å; L465-S469 PolarHBondContact O-N 3.5Å; L465-S469 PolarHBondContact O-OG 2.92Å; L465-L497 HydrophobicContact CB-CD2 4.19Å |
| 466 | F | 97.8 | Very high | 95 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.7 | -50.6 | 175.7 | -167.8 | -75.7 | 0 | 0 | 0 | 111.5 | L462 V463 Q468 S469 A470 L494 L497 V498 I501 R527 V528 L531 | L462-F466 WeakPolarHBondContact O-CB 3.24Å; L462-F466 PolarHBondContact O-N 2.9Å; V463-F466 PolarHBondContact O-N 2.92Å; F466-Q468 VanDerWaalsContact C-N 3.27Å; F466-Q468 PolarHBondContact O-N 3.47Å; F466-S469 PolarHBondContact O-N 3.35Å; F466-A470 HydrophobicContact CD1-CB 4.09Å; F466-A470 HydrophobicContact CE1-CB 3.97Å; F466-A470 WeakPolarHBondContact O-CB 2.98Å; F466-A470 PolarHBondContact O-N 3.16Å; F466-L494 HydrophobicContact CD2-CD2 4.49Å; F466-L494 HydrophobicContact CE2-CD2 4.32Å; F466-L494 HydrophobicContact CZ-CD2 4.42Å; F466-L497 HydrophobicContact CB-CD1 4.24Å; F466-L497 HydrophobicContact CD2-CB 3.98Å; F466-L497 HydrophobicContact CD2-CD1 4.27Å; F466-V498 HydrophobicContact CE2-CG2 4.23Å; F466-I501 HydrophobicContact CD2-CD1 3.66Å; F466-I501 HydrophobicContact CE2-CD1 4.1Å; F466-I501 HydrophobicContact CG-CD1 4.47Å; F466-R527 HydrophobicContact CD1-CB 3.74Å; F466-R527 HydrophobicContact CD1-CG 4.14Å; F466-R527 HydrophobicContact CE1-CB 3.59Å; F466-R527 HydrophobicContact CE1-CG 4.35Å; F466-R527 HydrophobicContact CG-CB 4.36Å; F466-R527 HydrophobicContact CZ-CB 4.08Å; F466-R527 WeakPolarHBondContact CZ-O 3.34Å; F466-V528 HydrophobicContact CE2-CG2 4.29Å; F466-L531 HydrophobicContact CE1-CB 4.35Å; F466-L531 HydrophobicContact CE2-CD2 4.08Å; F466-L531 HydrophobicContact CZ-CB 3.77Å; F466-L531 HydrophobicContact CZ-CD2 3.68Å; F466-L531 HydrophobicContact CZ-CG 4.34Å |
| 467 | D | 96.6 | Very high | 94.7 | Very high | 64 Ų | 64 | 48.3 Ų | 48.3 | 34% | 0.342 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | -178.7 | -68.7 | -11.3 | 0 | 0 | 0 | 110.3 | V463 Q471 R527 | V463-D467 WeakPolarHBondContact O-CB 3.48Å; V463-D467 VanDerWaalsContact O-CG 3.23Å; V463-D467 PolarHBondContact O-N 3.22Å; D467-Q471 VanDerWaalsContact O-CB 3.24Å; D467-Q471 WeakPolarHBondContact O-CB 3.29Å; D467-Q471 PolarHBondContact O-N 2.98Å; D467-R527 WeakPolarHBondContact OD1-CD 3.48Å; D467-R527 IonicContact OD1-CZ 3.43Å; D467-R527 IonicContact OD1-NE 2.86Å; D467-R527 PolarHBondContact OD1-NE 3.45Å; D467-R527 IonicContact OD1-NH2 2.65Å; D467-R527 IonicContact OD2-CZ 2.97Å; D467-R527 IonicContact OD2-NE 3.14Å; D467-R527 PolarHBondContact OD2-NE 3.19Å; D467-R527 IonicContact OD2-NH2 2.7Å; D467-R527 PolarHBondContact OD2-NH2 3.28Å |
| 468 | Q | 96.1 | Very high | 94.3 | Very high | 113 Ų | 113 | 51.2 Ų | 51.2 | 53% | 0.528 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.1 | -51.2 | 173.9 | -175.9 | -179.5 | 6.9 | 0 | 0 | 112.4 | Q464 F466 S472 | Q464-Q468 WeakPolarHBondContact O-CB 3.33Å; Q464-Q468 PolarHBondContact O-N 3.37Å; Q464-Q468 VanDerWaalsContact O-N 3.1Å; F466-Q468 VanDerWaalsContact C-N 3.27Å; F466-Q468 PolarHBondContact O-N 3.47Å; Q468-S472 PolarHBondContact O-N 3.36Å; Q468-S472 VanDerWaalsContact O-N 3.1Å; Q468-S472 PolarHBondContact O-OG 3.45Å |
| 469 | S | 95.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.9 | -38.4 | -176.7 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | L465 F466 Y473 | L465-S469 WeakPolarHBondContact O-CB 3.34Å; L465-S469 PolarHBondContact O-N 3.5Å; L465-S469 PolarHBondContact O-OG 2.92Å; F466-S469 PolarHBondContact O-N 3.35Å; S469-Y473 WeakPolarHBondContact O-CB 3.3Å; S469-Y473 PolarHBondContact O-N 3.39Å |
| 470 | A | 94.3 | Very high | 92.9 | Very high | 14 Ų | 14 | 58.7 Ų | 58.7 | 12% | 0.116 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69 | -40.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F466 Y473 Q474 L494 | F466-A470 HydrophobicContact CD1-CB 4.09Å; F466-A470 HydrophobicContact CE1-CB 3.97Å; F466-A470 WeakPolarHBondContact O-CB 2.98Å; F466-A470 PolarHBondContact O-N 3.16Å; A470-Y473 PolarHBondContact O-N 3.48Å; A470-Q474 WeakPolarHBondContact O-CG 3.41Å; A470-Q474 PolarHBondContact O-N 3.18Å; A470-L494 HydrophobicContact CB-CD2 4.18Å |
| 471 | Q | 94.8 | Very high | 92 | Very high | 115 Ų | 115 | 60.9 Ų | 60.9 | 54% | 0.537 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.6 | -49.2 | 174.8 | -176.8 | 179.8 | -7.8 | 0 | 0 | 111 | D467 Y473 Q474 E475 | D467-Q471 VanDerWaalsContact O-CB 3.24Å; D467-Q471 WeakPolarHBondContact O-CB 3.29Å; D467-Q471 PolarHBondContact O-N 2.98Å; Q471-Y473 VanDerWaalsContact C-N 3.27Å; Q471-Y473 PolarHBondContact O-N 3.35Å; Q471-Q474 PolarHBondContact O-N 3.08Å; Q471-Q474 VanDerWaalsContact O-N 3.16Å; Q471-E475 WeakPolarHBondContact CG-OE1 3.5Å; Q471-E475 PolarHBondContact NE2-OE1 3.4Å; Q471-E475 WeakPolarHBondContact O-CG 3.37Å; Q471-E475 PolarHBondContact O-N 2.98Å |
| 472 | S | 93.8 | Very high | 91.2 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 28% | 0.28 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.8 | -38.7 | 176.4 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | Q468 L476 | Q468-S472 PolarHBondContact O-N 3.36Å; Q468-S472 VanDerWaalsContact O-N 3.1Å; Q468-S472 PolarHBondContact O-OG 3.45Å; S472-L476 WeakPolarHBondContact O-CB 3.35Å; S472-L476 VanDerWaalsContact O-CG 3.26Å; S472-L476 WeakPolarHBondContact O-CG 3.28Å; S472-L476 PolarHBondContact O-N 2.71Å |
| 473 | Y | 93.1 | Very high | 90.7 | Very high | 8 Ų | 8 | 63.2 Ų | 63.2 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.5 | -51.5 | 173.4 | -174.3 | -121.8 | 0 | 0 | 0 | 111.1 | S469 A470 Q471 E475 L476 L477 I487 Q490 E491 L494 L531 L534 | S469-Y473 WeakPolarHBondContact O-CB 3.3Å; S469-Y473 PolarHBondContact O-N 3.39Å; A470-Y473 PolarHBondContact O-N 3.48Å; Q471-Y473 VanDerWaalsContact C-N 3.27Å; Q471-Y473 PolarHBondContact O-N 3.35Å; Y473-E475 VanDerWaalsContact C-N 3.33Å; Y473-E475 PolarHBondContact O-N 3.15Å; Y473-L476 PolarHBondContact O-N 3.08Å; Y473-L477 HydrophobicContact CD1-CD1 3.97Å; Y473-L477 HydrophobicContact CD1-CG 4.41Å; Y473-L477 HydrophobicContact CD2-CD2 4.34Å; Y473-L477 HydrophobicContact CD2-CG 4.34Å; Y473-L477 HydrophobicContact CE1-CD1 3.54Å; Y473-L477 HydrophobicContact CE1-CG 4.23Å; Y473-L477 HydrophobicContact CE2-CD1 4.3Å; Y473-L477 HydrophobicContact CE2-CD2 3.86Å; Y473-L477 HydrophobicContact CE2-CG 4.17Å; Y473-L477 HydrophobicContact CG-CG 4.47Å; Y473-L477 VanDerWaalsContact O-CG 3.27Å; Y473-L477 WeakPolarHBondContact O-CG 3.34Å; Y473-L477 PolarHBondContact O-N 3.03Å; Y473-I487 HydrophobicContact CE2-CG2 3.87Å; Y473-Q490 HydrophobicContact CD2-CB 3.86Å; Y473-Q490 HydrophobicContact CG-CB 4.35Å; Y473-E491 HydrophobicContact CD2-CG 4.3Å; Y473-E491 HydrophobicContact CE2-CG 3.44Å; Y473-E491 VanDerWaalsContact CE2-CG 3.44Å; Y473-E491 PolarHBondContact OH-OE1 3.25Å; Y473-L494 HydrophobicContact CD1-CD1 3.9Å; Y473-L494 HydrophobicContact CG-CD1 3.87Å; Y473-L531 HydrophobicContact CD1-CD1 4.43Å; Y473-L534 HydrophobicContact CD1-CD2 3.89Å; Y473-L534 HydrophobicContact CE1-CD2 4.11Å |
| 474 | Q | 91.6 | Very high | 90.1 | Very high | 86 Ų | 86 | 66.8 Ų | 66.8 | 40% | 0.402 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.6 | -42.7 | 178.6 | -74.5 | 177.8 | 3.1 | 0 | 0 | 113 | A470 Q471 L477 Q478 L534 | A470-Q474 WeakPolarHBondContact O-CG 3.41Å; A470-Q474 PolarHBondContact O-N 3.18Å; Q471-Q474 PolarHBondContact O-N 3.08Å; Q471-Q474 VanDerWaalsContact O-N 3.16Å; Q474-L477 PolarHBondContact O-N 3.45Å; Q474-Q478 WeakPolarHBondContact O-CG 3.36Å; Q474-Q478 PolarHBondContact O-N 2.96Å; Q474-Q478 VanDerWaalsContact O-N 3.17Å; Q474-L534 HydrophobicContact CG-CD1 4.49Å; Q474-L534 HydrophobicContact CG-CD2 3.53Å |
| 475 | E | 92.5 | Very high | 89.7 | Confident | 107 Ų | 107 | 63.6 Ų | 63.6 | 50% | 0.5 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 176.8 | -72 | 171.4 | -175.7 | 0 | 0 | 111.7 | Q471 Y473 L477 Q478 S479 | Q471-E475 WeakPolarHBondContact CG-OE1 3.5Å; Q471-E475 PolarHBondContact NE2-OE1 3.4Å; Q471-E475 WeakPolarHBondContact O-CG 3.37Å; Q471-E475 PolarHBondContact O-N 2.98Å; Y473-E475 VanDerWaalsContact C-N 3.33Å; Y473-E475 PolarHBondContact O-N 3.15Å; E475-L477 VanDerWaalsContact C-N 3.33Å; E475-L477 PolarHBondContact O-N 3.35Å; E475-Q478 PolarHBondContact O-N 2.96Å; E475-S479 PolarHBondContact O-N 2.91Å |
| 476 | L | 90.9 | Very high | 89.3 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 20% | 0.199 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.1 | -38 | 175.8 | -72.7 | 170.2 | 0 | 0 | 0 | 111.9 | S472 Y473 Q478 S479 A482 D486 I487 Q490 | S472-L476 WeakPolarHBondContact O-CB 3.35Å; S472-L476 VanDerWaalsContact O-CG 3.26Å; S472-L476 WeakPolarHBondContact O-CG 3.28Å; S472-L476 PolarHBondContact O-N 2.71Å; Y473-L476 PolarHBondContact O-N 3.08Å; L476-Q478 VanDerWaalsContact C-N 3.28Å; L476-Q478 PolarHBondContact O-N 3.45Å; L476-S479 PolarHBondContact O-N 3.28Å; L476-A482 HydrophobicContact CB-CB 4.31Å; L476-A482 HydrophobicContact CD2-CB 4.1Å; L476-A482 WeakPolarHBondContact O-CB 3.4Å; L476-D486 HydrophobicContact CD1-CB 3.96Å; L476-D486 HydrophobicContact CD2-CB 4.22Å; L476-I487 HydrophobicContact CB-CG1 4.31Å; L476-Q490 HydrophobicContact CD1-CG 3.86Å |
| 477 | L | 86.4 | Confident | 88.9 | Confident | 34 Ų | 34 | 67.4 Ų | 67.4 | 18% | 0.178 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.9 | -28.3 | 178.4 | -66 | -168.9 | 0 | 0 | 0 | 113.6 | Y473 Q474 E475 I487 L534 | Y473-L477 HydrophobicContact CD1-CD1 3.97Å; Y473-L477 HydrophobicContact CD1-CG 4.41Å; Y473-L477 HydrophobicContact CD2-CD2 4.34Å; Y473-L477 HydrophobicContact CD2-CG 4.34Å; Y473-L477 HydrophobicContact CE1-CD1 3.54Å; Y473-L477 HydrophobicContact CE1-CG 4.23Å; Y473-L477 HydrophobicContact CE2-CD1 4.3Å; Y473-L477 HydrophobicContact CE2-CD2 3.86Å; Y473-L477 HydrophobicContact CE2-CG 4.17Å; Y473-L477 HydrophobicContact CG-CG 4.47Å; Y473-L477 VanDerWaalsContact O-CG 3.27Å; Y473-L477 WeakPolarHBondContact O-CG 3.34Å; Y473-L477 PolarHBondContact O-N 3.03Å; Q474-L477 PolarHBondContact O-N 3.45Å; E475-L477 VanDerWaalsContact C-N 3.33Å; E475-L477 PolarHBondContact O-N 3.35Å; L477-I487 HydrophobicContact CD2-CD1 4.38Å; L477-I487 HydrophobicContact CD2-CG2 4.24Å; L477-L534 HydrophobicContact CD1-CD2 4.47Å |
| 478 | Q | 86 | Confident | 88.6 | Confident | 167 Ų | 167 | 65.8 Ų | 65.8 | 78% | 0.78 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -82.5 | -18.1 | 176.3 | -67.9 | 174.3 | 17.1 | 0 | 0 | 112.4 | Q474 E475 L476 | Q474-Q478 WeakPolarHBondContact O-CG 3.36Å; Q474-Q478 PolarHBondContact O-N 2.96Å; Q474-Q478 VanDerWaalsContact O-N 3.17Å; E475-Q478 PolarHBondContact O-N 2.96Å; L476-Q478 VanDerWaalsContact C-N 3.28Å; L476-Q478 PolarHBondContact O-N 3.45Å |
| 479 | S | 87.1 | Confident | 88.5 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 35% | 0.35 | 36% | 0.358 | S | S | . | . | trans | -84 | 121.8 | -178.3 | -178.6 | 0 | 0 | 0 | 0 | 112.2 | E475 L476 S481 A482 | E475-S479 PolarHBondContact O-N 2.91Å; L476-S479 PolarHBondContact O-N 3.28Å; S479-S481 PolarHBondContact O-N 3.43Å; S479-S481 PolarHBondContact OG-N 3.29Å; S479-S481 PolarHBondContact OG-OG 2.7Å; S479-A482 PolarHBondContact O-N 3.03Å | ||
| 480 | A | 73.3 | Confident | 88.4 | Confident | 115 Ų | 115 | 61.4 Ų | 61.4 | 95% | 0.95 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -13.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 481 | S | 76.4 | Confident | 88.3 | Confident | 109 Ų | 109 | 61.9 Ų | 61.9 | 76% | 0.762 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 15 | -179.5 | 67.5 | 0 | 0 | 0 | 0 | 113.5 | S479 S483 | S479-S481 PolarHBondContact O-N 3.43Å; S479-S481 PolarHBondContact OG-N 3.29Å; S479-S481 PolarHBondContact OG-OG 2.7Å; S481-S483 PolarHBondContact O-N 2.98Å |
| 482 | A | 80.7 | Confident | 88.3 | Confident | 26 Ų | 26 | 57 Ų | 57 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | trans | -65.5 | 132.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L476 S479 I487 | L476-A482 HydrophobicContact CB-CB 4.31Å; L476-A482 HydrophobicContact CD2-CB 4.1Å; L476-A482 WeakPolarHBondContact O-CB 3.4Å; S479-A482 PolarHBondContact O-N 3.03Å; A482-I487 HydrophobicContact CB-CD1 4.06Å; A482-I487 HydrophobicContact CB-CG1 4.32Å | ||
| 483 | S | 86 | Confident | 88.4 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | trans | -68.3 | 132.6 | 172.9 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | S481 M485 D486 I487 | S481-S483 PolarHBondContact O-N 2.98Å; S483-M485 PolarHBondContact O-N 2.59Å; S483-M485 VanDerWaalsContact O-N 3.12Å; S483-M485 WeakPolarHBondContact OG-CB 3.48Å; S483-M485 PolarHBondContact OG-N 3.35Å; S483-D486 VanDerWaalsContact CB-OD2 3.28Å; S483-D486 WeakPolarHBondContact CB-OD2 3.41Å; S483-D486 PolarHBondContact O-N 3.14Å; S483-I487 PolarHBondContact O-N 2.92Å | ||
| 484 | P | 85.5 | Confident | 88.5 | Confident | 107 Ų | 107 | 57.8 Ų | 57.8 | 70% | 0.695 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -54.4 | -30.7 | 172.8 | -25.7 | 34.3 | 0 | 0 | 0 | 112.8 | A488 | P484-A488 WeakPolarHBondContact O-CB 3.31Å; P484-A488 PolarHBondContact O-N 2.83Å |
| 485 | M | 87.3 | Confident | 88.8 | Confident | 60 Ų | 60 | 53.8 Ų | 53.8 | 30% | 0.296 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 176 | -176.6 | 66.6 | -179.7 | 0 | 0 | 112.2 | L426 R427 S483 I487 A488 V489 | L426-M485 VanDerWaalsContact C-CE 3.48Å; L426-M485 HydrophobicContact CB-CE 3.3Å; L426-M485 HydrophobicContact CB-SD 3.94Å; R427-M485 HydrophobicContact CB-CE 4.11Å; S483-M485 PolarHBondContact O-N 2.59Å; S483-M485 VanDerWaalsContact O-N 3.12Å; S483-M485 WeakPolarHBondContact OG-CB 3.48Å; S483-M485 PolarHBondContact OG-N 3.35Å; M485-I487 VanDerWaalsContact C-N 3.29Å; M485-I487 PolarHBondContact O-N 2.86Å; M485-A488 PolarHBondContact O-N 3Å; M485-V489 HydrophobicContact CE-CG2 4.31Å; M485-V489 VanDerWaalsContact O-CG2 3.27Å; M485-V489 WeakPolarHBondContact O-CG2 3.4Å; M485-V489 PolarHBondContact O-N 2.92Å |
| 486 | D | 89.8 | Confident | 88.9 | Confident | 72 Ų | 72 | 48.7 Ų | 48.7 | 39% | 0.385 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.6 | -35.3 | -178.6 | -64.1 | -32.3 | 0 | 0 | 0 | 111.1 | L476 S483 V489 Q490 | L476-D486 HydrophobicContact CD1-CB 3.96Å; L476-D486 HydrophobicContact CD2-CB 4.22Å; S483-D486 VanDerWaalsContact CB-OD2 3.28Å; S483-D486 WeakPolarHBondContact CB-OD2 3.41Å; S483-D486 PolarHBondContact O-N 3.14Å; D486-V489 PolarHBondContact O-N 2.99Å; D486-Q490 PolarHBondContact O-N 3.22Å; D486-Q490 VanDerWaalsContact O-N 3.16Å |
| 487 | I | 89.9 | Confident | 89.3 | Confident | 36 Ų | 36 | 46.9 Ų | 46.9 | 19% | 0.185 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.3 | -50.6 | 171.9 | -62.5 | 175.6 | 0 | 0 | 0 | 109.7 | Y473 L476 L477 A482 S483 M485 V489 Q490 E491 | Y473-I487 HydrophobicContact CE2-CG2 3.87Å; L476-I487 HydrophobicContact CB-CG1 4.31Å; L477-I487 HydrophobicContact CD2-CD1 4.38Å; L477-I487 HydrophobicContact CD2-CG2 4.24Å; A482-I487 HydrophobicContact CB-CD1 4.06Å; A482-I487 HydrophobicContact CB-CG1 4.32Å; S483-I487 PolarHBondContact O-N 2.92Å; M485-I487 VanDerWaalsContact C-N 3.29Å; M485-I487 PolarHBondContact O-N 2.86Å; I487-V489 VanDerWaalsContact C-N 3.29Å; I487-V489 PolarHBondContact O-N 3.06Å; I487-Q490 PolarHBondContact O-N 3.34Å; I487-Q490 VanDerWaalsContact O-N 3.16Å; I487-E491 HydrophobicContact CG2-CG 4.43Å; I487-E491 WeakPolarHBondContact O-CG 3.48Å; I487-E491 PolarHBondContact O-N 3.01Å |
| 488 | A | 90.3 | Very high | 89.8 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 25% | 0.248 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.1 | -36.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L426 P484 M485 E491 G492 | L426-A488 HydrophobicContact CD1-CB 3.97Å; P484-A488 WeakPolarHBondContact O-CB 3.31Å; P484-A488 PolarHBondContact O-N 2.83Å; M485-A488 PolarHBondContact O-N 3Å; A488-E491 PolarHBondContact O-N 3.28Å; A488-G492 PolarHBondContact O-N 3Å |
| 489 | V | 92.6 | Very high | 90.3 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.03 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 175.3 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | V422 H423 L426 M485 D486 I487 G492 R493 | V422-V489 WeakPolarHBondContact CG1-O 3.34Å; H423-V489 HydrophobicContact CB-CG1 4.22Å; H423-V489 HydrophobicContact CB-CG2 4.38Å; L426-V489 HydrophobicContact CD1-CB 4.46Å; L426-V489 HydrophobicContact CD1-CG2 3.8Å; M485-V489 HydrophobicContact CE-CG2 4.31Å; M485-V489 VanDerWaalsContact O-CG2 3.27Å; M485-V489 WeakPolarHBondContact O-CG2 3.4Å; M485-V489 PolarHBondContact O-N 2.92Å; D486-V489 PolarHBondContact O-N 2.99Å; I487-V489 VanDerWaalsContact C-N 3.29Å; I487-V489 PolarHBondContact O-N 3.06Å; V489-G492 PolarHBondContact O-N 3.1Å; V489-R493 WeakPolarHBondContact O-CG 3.36Å; V489-R493 PolarHBondContact O-N 3.41Å |
| 490 | Q | 93.9 | Very high | 90.7 | Very high | 21 Ų | 21 | 35.7 Ų | 35.7 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.4 | -37.1 | 177.5 | -62.8 | -51.4 | -33.7 | 0 | 0 | 112 | Y473 L476 D486 I487 G492 R493 L494 | Y473-Q490 HydrophobicContact CD2-CB 3.86Å; Y473-Q490 HydrophobicContact CG-CB 4.35Å; L476-Q490 HydrophobicContact CD1-CG 3.86Å; D486-Q490 PolarHBondContact O-N 3.22Å; D486-Q490 VanDerWaalsContact O-N 3.16Å; I487-Q490 PolarHBondContact O-N 3.34Å; I487-Q490 VanDerWaalsContact O-N 3.16Å; Q490-G492 PolarHBondContact O-N 3.31Å; Q490-R493 PolarHBondContact O-N 3.2Å; Q490-L494 WeakPolarHBondContact O-CB 3.31Å; Q490-L494 VanDerWaalsContact O-CG 3.26Å; Q490-L494 WeakPolarHBondContact O-CG 3.47Å; Q490-L494 PolarHBondContact O-N 2.99Å |
| 491 | E | 93.1 | Very high | 91.8 | Very high | 25 Ų | 25 | 30.2 Ų | 30.2 | 12% | 0.117 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 174.3 | -70.6 | 177.6 | 168.3 | 0 | 0 | 111.8 | Y473 I487 A488 L494 T495 N544 | Y473-E491 HydrophobicContact CD2-CG 4.3Å; Y473-E491 HydrophobicContact CE2-CG 3.44Å; Y473-E491 VanDerWaalsContact CE2-CG 3.44Å; Y473-E491 PolarHBondContact OH-OE1 3.25Å; I487-E491 HydrophobicContact CG2-CG 4.43Å; I487-E491 WeakPolarHBondContact O-CG 3.48Å; I487-E491 PolarHBondContact O-N 3.01Å; A488-E491 PolarHBondContact O-N 3.28Å; E491-L494 PolarHBondContact O-N 2.86Å; E491-T495 VanDerWaalsContact O-CB 3.3Å; E491-T495 WeakPolarHBondContact O-CB 3.32Å; E491-T495 PolarHBondContact O-N 3.14Å; E491-T495 PolarHBondContact O-OG1 3.44Å; E491-N544 WeakPolarHBondContact CB-ND2 3.45Å; E491-N544 PolarHBondContact OE2-ND2 2.89Å |
| 492 | G | 93.6 | Very high | 92.7 | Very high | 12 Ų | 12 | 25 Ų | 25 | 12% | 0.124 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.3 | -40 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | A488 V489 Q490 T495 W496 | A488-G492 PolarHBondContact O-N 3Å; V489-G492 PolarHBondContact O-N 3.1Å; Q490-G492 PolarHBondContact O-N 3.31Å; G492-T495 WeakPolarHBondContact O-CB 3.27Å; G492-T495 PolarHBondContact O-N 3.49Å; G492-W496 PolarHBondContact O-N 3.23Å; G492-W496 VanDerWaalsContact O-N 3.08Å |
| 493 | R | 95.8 | Very high | 93.4 | Very high | 65 Ų | 65 | 24 Ų | 24 | 25% | 0.245 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63 | -47.8 | 174.7 | -75.7 | 179.5 | 174.7 | -179.4 | 3.8 | 112.1 | L419 V422 V489 Q490 T495 W496 L497 | L419-R493 HydrophobicContact CB-CG 4.2Å; L419-R493 HydrophobicContact CD2-CB 4.02Å; L419-R493 HydrophobicContact CD2-CG 4.2Å; L419-R493 VanDerWaalsContact CD2-O 3.32Å; L419-R493 WeakPolarHBondContact CD2-O 3.19Å; L419-R493 PolarHBondContact O-NE 2.66Å; L419-R493 VanDerWaalsContact O-NE 3.13Å; V422-R493 HydrophobicContact CB-CG 4.45Å; V422-R493 HydrophobicContact CG2-CG 4.39Å; V489-R493 WeakPolarHBondContact O-CG 3.36Å; V489-R493 PolarHBondContact O-N 3.41Å; Q490-R493 PolarHBondContact O-N 3.2Å; R493-T495 VanDerWaalsContact C-N 3.29Å; R493-T495 PolarHBondContact O-N 2.94Å; R493-W496 PolarHBondContact O-N 3.03Å; R493-L497 WeakPolarHBondContact O-CG 2.75Å; R493-L497 PolarHBondContact O-N 2.99Å |
| 494 | L | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.8 | -36.6 | 176.9 | -69.8 | 169.6 | 0 | 0 | 0 | 111.3 | F466 A470 Y473 Q490 E491 L497 V498 L531 L547 | F466-L494 HydrophobicContact CD2-CD2 4.49Å; F466-L494 HydrophobicContact CE2-CD2 4.32Å; F466-L494 HydrophobicContact CZ-CD2 4.42Å; A470-L494 HydrophobicContact CB-CD2 4.18Å; Y473-L494 HydrophobicContact CD1-CD1 3.9Å; Y473-L494 HydrophobicContact CG-CD1 3.87Å; Q490-L494 WeakPolarHBondContact O-CB 3.31Å; Q490-L494 VanDerWaalsContact O-CG 3.26Å; Q490-L494 WeakPolarHBondContact O-CG 3.47Å; Q490-L494 PolarHBondContact O-N 2.99Å; E491-L494 PolarHBondContact O-N 2.86Å; L494-L497 PolarHBondContact O-N 2.72Å; L494-V498 WeakPolarHBondContact O-CB 3.47Å; L494-V498 VanDerWaalsContact O-CG2 3.25Å; L494-V498 WeakPolarHBondContact O-CG2 3.38Å; L494-V498 PolarHBondContact O-N 3.42Å; L494-L531 HydrophobicContact CB-CD2 4.03Å; L494-L531 HydrophobicContact CD1-CD1 3.89Å; L494-L531 HydrophobicContact CD1-CD2 4.29Å; L494-L531 HydrophobicContact CD2-CD2 4.09Å; L494-L531 HydrophobicContact CG-CD2 4.36Å; L494-L547 HydrophobicContact CB-CD1 4.33Å |
| 495 | T | 96.3 | Very high | 94 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.5 | -50.8 | 174.5 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | L434 E491 G492 R493 L497 V498 Y499 K546 L547 A550 | L434-T495 HydrophobicContact CD1-CG2 3.8Å; L434-T495 HydrophobicContact CD2-CG2 4.36Å; E491-T495 VanDerWaalsContact O-CB 3.3Å; E491-T495 WeakPolarHBondContact O-CB 3.32Å; E491-T495 PolarHBondContact O-N 3.14Å; E491-T495 PolarHBondContact O-OG1 3.44Å; G492-T495 WeakPolarHBondContact O-CB 3.27Å; G492-T495 PolarHBondContact O-N 3.49Å; R493-T495 VanDerWaalsContact C-N 3.29Å; R493-T495 PolarHBondContact O-N 2.94Å; T495-L497 PolarHBondContact O-N 2.9Å; T495-V498 PolarHBondContact O-N 3.3Å; T495-Y499 HydrophobicContact CG2-CD2 3.91Å; T495-Y499 HydrophobicContact CG2-CE2 3.83Å; T495-Y499 WeakPolarHBondContact O-CD2 3.31Å; T495-Y499 PolarHBondContact O-N 3.33Å; T495-K546 HydrophobicContact CG2-CB 4.06Å; T495-K546 WeakPolarHBondContact CG2-O 3.32Å; T495-L547 WeakPolarHBondContact OG1-CA 3.47Å; T495-L547 WeakPolarHBondContact OG1-CB 3.41Å; T495-L547 PolarHBondContact OG1-N 2.66Å; T495-A550 HydrophobicContact CG2-CB 3.93Å |
| 496 | W | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 174.9 | -88.2 | 110.9 | 0 | 0 | 0 | 112.4 | R418 L419 P433 L434 V440 G492 R493 V498 Y499 I500 | R418-W496 HydrophobicContact CB-CD2 3.89Å; R418-W496 HydrophobicContact CB-CE3 4.2Å; R418-W496 HydrophobicContact CB-CG 4.15Å; R418-W496 HydrophobicContact CG-CD2 4.32Å; R418-W496 HydrophobicContact CG-CE3 4.23Å; R418-W496 HydrophobicContact CG-CH2 4.36Å; R418-W496 HydrophobicContact CG-CZ2 4.44Å; R418-W496 HydrophobicContact CG-CZ3 4.26Å; L419-W496 HydrophobicContact CD2-CB 3.89Å; P433-W496 HydrophobicContact CB-CZ2 4.12Å; L434-W496 HydrophobicContact CD2-CD2 3.85Å; L434-W496 HydrophobicContact CD2-CE3 4.19Å; L434-W496 HydrophobicContact CD2-CG 4.41Å; L434-W496 HydrophobicContact CD2-CH2 4Å; L434-W496 HydrophobicContact CD2-CZ2 3.64Å; L434-W496 HydrophobicContact CD2-CZ3 4.26Å; L434-W496 HydrophobicContact CG-CD2 4.43Å; L434-W496 HydrophobicContact CG-CZ2 3.81Å; V440-W496 HydrophobicContact CG1-CH2 4.26Å; V440-W496 HydrophobicContact CG1-CZ3 4.07Å; V440-W496 HydrophobicContact CG2-CH2 3.92Å; G492-W496 PolarHBondContact O-N 3.23Å; G492-W496 VanDerWaalsContact O-N 3.08Å; R493-W496 PolarHBondContact O-N 3.03Å; W496-V498 PolarHBondContact O-N 3.08Å; W496-Y499 PolarHBondContact O-N 3.47Å; W496-I500 HydrophobicContact CB-CD1 4.48Å; W496-I500 HydrophobicContact CE3-CD1 4.37Å; W496-I500 WeakPolarHBondContact O-CB 3.2Å; W496-I500 WeakPolarHBondContact O-CD1 3.49Å; W496-I500 WeakPolarHBondContact O-CG1 3.29Å; W496-I500 PolarHBondContact O-N 3.27Å |
| 497 | L | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 179.7 | -72.2 | 169.1 | 0 | 0 | 0 | 112.4 | I415 L419 L462 L465 F466 R493 L494 T495 I500 I501 | I415-L497 HydrophobicContact CG2-CD2 4.35Å; L419-L497 HydrophobicContact CD1-CD1 4.45Å; L419-L497 HydrophobicContact CD1-CD2 4.04Å; L419-L497 HydrophobicContact CD1-CG 4.3Å; L419-L497 HydrophobicContact CD2-CD1 4.35Å; L419-L497 HydrophobicContact CD2-CD2 4.26Å; L419-L497 HydrophobicContact CD2-CG 3.83Å; L462-L497 HydrophobicContact CD2-CD2 4.12Å; L465-L497 HydrophobicContact CB-CD2 4.19Å; F466-L497 HydrophobicContact CB-CD1 4.24Å; F466-L497 HydrophobicContact CD2-CB 3.98Å; F466-L497 HydrophobicContact CD2-CD1 4.27Å; R493-L497 WeakPolarHBondContact O-CG 2.75Å; R493-L497 PolarHBondContact O-N 2.99Å; L494-L497 PolarHBondContact O-N 2.72Å; T495-L497 PolarHBondContact O-N 2.9Å; L497-I500 PolarHBondContact O-N 3.39Å; L497-I501 VanDerWaalsContact O-CB 3.31Å; L497-I501 WeakPolarHBondContact O-CB 3.38Å; L497-I501 WeakPolarHBondContact O-CG1 2.9Å; L497-I501 PolarHBondContact O-N 3.49Å |
| 498 | V | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.6 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | F466 L494 T495 W496 G502 V528 L531 L547 A550 M551 F554 | F466-V498 HydrophobicContact CE2-CG2 4.23Å; L494-V498 WeakPolarHBondContact O-CB 3.47Å; L494-V498 VanDerWaalsContact O-CG2 3.25Å; L494-V498 WeakPolarHBondContact O-CG2 3.38Å; L494-V498 PolarHBondContact O-N 3.42Å; T495-V498 PolarHBondContact O-N 3.3Å; W496-V498 PolarHBondContact O-N 3.08Å; V498-G502 PolarHBondContact O-N 3.46Å; V498-V528 HydrophobicContact CG1-CG1 4.13Å; V498-V528 HydrophobicContact CG2-CG1 4.33Å; V498-V528 HydrophobicContact CG2-CG2 4.44Å; V498-L531 HydrophobicContact CG2-CD2 3.93Å; V498-L547 HydrophobicContact CG2-CD1 4.22Å; V498-A550 HydrophobicContact CB-CB 4.02Å; V498-A550 HydrophobicContact CG1-CB 3.82Å; V498-A550 WeakPolarHBondContact CG1-O 3.32Å; V498-M551 HydrophobicContact CG1-SD 3.98Å; V498-M551 HydrophobicContact CG2-CE 3.99Å; V498-M551 HydrophobicContact CG2-SD 4.34Å; V498-F554 HydrophobicContact CG1-CB 3.9Å |
| 499 | Y | 96.4 | Very high | 92.7 | Very high | 16 Ų | 16 | 13.3 Ų | 13.3 | 6% | 0.063 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.6 | -47.5 | 173.8 | -90.4 | -57.7 | 0 | 0 | 0 | 112.4 | L434 L444 T495 W496 G502 A503 A550 S553 | L434-Y499 HydrophobicContact CD2-CD2 3.95Å; L434-Y499 HydrophobicContact CD2-CE2 4.04Å; L444-Y499 HydrophobicContact CD1-CD1 4.1Å; L444-Y499 HydrophobicContact CD1-CG 4.2Å; T495-Y499 HydrophobicContact CG2-CD2 3.91Å; T495-Y499 HydrophobicContact CG2-CE2 3.83Å; T495-Y499 WeakPolarHBondContact O-CD2 3.31Å; T495-Y499 PolarHBondContact O-N 3.33Å; W496-Y499 PolarHBondContact O-N 3.47Å; Y499-G502 PolarHBondContact O-N 2.89Å; Y499-A503 WeakPolarHBondContact O-CB 3.27Å; Y499-A503 PolarHBondContact O-N 3.49Å; Y499-A550 HydrophobicContact CD1-CB 4.31Å; Y499-A550 HydrophobicContact CD2-CB 3.54Å; Y499-A550 HydrophobicContact CE1-CB 4.25Å; Y499-A550 HydrophobicContact CE2-CB 3.46Å; Y499-A550 VanDerWaalsContact CE2-CB 3.46Å; Y499-A550 HydrophobicContact CG-CB 3.96Å; Y499-A550 PolarHBondContact OH-N 2.91Å; Y499-S553 VanDerWaalsContact CE1-CB 3.44Å |
| 500 | I | 96.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.9 | -44.6 | -179.3 | -67.5 | 161.7 | 0 | 0 | 0 | 110.8 | I415 L444 L447 L462 W496 L497 G502 A503 V504 | I415-I500 HydrophobicContact CD1-CG2 4.4Å; I415-I500 HydrophobicContact CG1-CD1 4.21Å; I415-I500 HydrophobicContact CG1-CG2 4.3Å; I415-I500 HydrophobicContact CG2-CD1 4.38Å; L444-I500 HydrophobicContact CD2-CB 4.41Å; L444-I500 HydrophobicContact CD2-CG1 3.63Å; L447-I500 HydrophobicContact CD2-CG1 4.2Å; L447-I500 HydrophobicContact CD2-CG2 3.94Å; L462-I500 HydrophobicContact CD1-CG2 4.39Å; L462-I500 HydrophobicContact CD2-CG2 3.76Å; W496-I500 HydrophobicContact CB-CD1 4.48Å; W496-I500 HydrophobicContact CE3-CD1 4.37Å; W496-I500 WeakPolarHBondContact O-CB 3.2Å; W496-I500 WeakPolarHBondContact O-CD1 3.49Å; W496-I500 WeakPolarHBondContact O-CG1 3.29Å; W496-I500 PolarHBondContact O-N 3.27Å; L497-I500 PolarHBondContact O-N 3.39Å; I500-G502 PolarHBondContact O-N 3.42Å; I500-A503 PolarHBondContact O-N 2.99Å; I500-V504 HydrophobicContact CG2-CG2 4.22Å; I500-V504 WeakPolarHBondContact O-CB 3.4Å; I500-V504 VanDerWaalsContact O-CG2 3.27Å; I500-V504 WeakPolarHBondContact O-CG2 3.31Å; I500-V504 PolarHBondContact O-N 3.12Å |
| 501 | I | 97 | Very high | 89.5 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.3 | -48.1 | 175.2 | -72.9 | 167.3 | 0 | 0 | 0 | 110.2 | L462 F466 L497 A503 V504 I505 L524 V528 F554 | L462-I501 HydrophobicContact CD1-CG1 4.22Å; F466-I501 HydrophobicContact CD2-CD1 3.66Å; F466-I501 HydrophobicContact CE2-CD1 4.1Å; F466-I501 HydrophobicContact CG-CD1 4.47Å; L497-I501 VanDerWaalsContact O-CB 3.31Å; L497-I501 WeakPolarHBondContact O-CB 3.38Å; L497-I501 WeakPolarHBondContact O-CG1 2.9Å; L497-I501 PolarHBondContact O-N 3.49Å; I501-A503 PolarHBondContact O-N 3.07Å; I501-V504 PolarHBondContact O-N 3.07Å; I501-I505 HydrophobicContact CG2-CD1 3.67Å; I501-I505 HydrophobicContact CG2-CG1 4.49Å; I501-I505 WeakPolarHBondContact O-CB 3.44Å; I501-I505 VanDerWaalsContact O-CG1 3.3Å; I501-I505 WeakPolarHBondContact O-CG1 3.46Å; I501-I505 PolarHBondContact O-N 3.19Å; I501-L524 HydrophobicContact CD1-CD2 4.38Å; I501-L524 HydrophobicContact CG1-CD2 4.34Å; I501-L524 HydrophobicContact CG2-CB 3.8Å; I501-L524 HydrophobicContact CG2-CD1 4.45Å; I501-V528 HydrophobicContact CB-CG2 4.34Å; I501-V528 HydrophobicContact CD1-CG2 3.94Å; I501-V528 HydrophobicContact CG2-CG2 3.83Å; I501-F554 HydrophobicContact CG2-CD2 4.23Å; I501-F554 HydrophobicContact CG2-CE2 4.05Å |
| 502 | G | 95.2 | Very high | 87.9 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.7 | -47 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V498 Y499 I500 I505 G506 Q557 | V498-G502 PolarHBondContact O-N 3.46Å; Y499-G502 PolarHBondContact O-N 2.89Å; I500-G502 PolarHBondContact O-N 3.42Å; G502-I505 PolarHBondContact O-N 3.42Å; G502-G506 PolarHBondContact O-N 2.87Å; G502-Q557 WeakPolarHBondContact O-CB 3.3Å; G502-Q557 WeakPolarHBondContact O-CG 3.42Å |
| 503 | A | 94.3 | Very high | 86.6 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.1 | -45.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L444 S448 Y499 I500 I501 I505 G506 G507 | L444-A503 HydrophobicContact CB-CB 3.66Å; L444-A503 HydrophobicContact CD1-CB 4.37Å; L444-A503 HydrophobicContact CD2-CB 4.24Å; L444-A503 HydrophobicContact CG-CB 4.31Å; S448-A503 WeakPolarHBondContact CB-O 3.36Å; Y499-A503 WeakPolarHBondContact O-CB 3.27Å; Y499-A503 PolarHBondContact O-N 3.49Å; I500-A503 PolarHBondContact O-N 2.99Å; I501-A503 PolarHBondContact O-N 3.07Å; A503-I505 VanDerWaalsContact C-N 3.34Å; A503-I505 PolarHBondContact O-N 3.44Å; A503-G506 CarbonylContact O-C 3.59Å; A503-G506 PolarHBondContact O-N 3.29Å; A503-G506 VanDerWaalsContact O-N 3.16Å; A503-G507 PolarHBondContact O-N 3.49Å |
| 504 | V | 93.3 | Very high | 85.6 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.8 | -40 | 178.3 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | R452 Y455 I500 I501 G506 G507 | R452-V504 HydrophobicContact CG-CG1 4.21Å; R452-V504 PolarHBondContact NE-O 3.34Å; R452-V504 PolarHBondContact NH2-O 3.21Å; Y455-V504 HydrophobicContact CD2-CG1 3.93Å; Y455-V504 HydrophobicContact CE2-CG1 3.21Å; I500-V504 HydrophobicContact CG2-CG2 4.22Å; I500-V504 WeakPolarHBondContact O-CB 3.4Å; I500-V504 VanDerWaalsContact O-CG2 3.27Å; I500-V504 WeakPolarHBondContact O-CG2 3.31Å; I500-V504 PolarHBondContact O-N 3.12Å; I501-V504 PolarHBondContact O-N 3.07Å; V504-G506 PolarHBondContact O-N 3.13Å; V504-G507 PolarHBondContact O-N 3.12Å |
| 505 | I | 91.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 170.7 | -68.9 | 164.5 | 0 | 0 | 0 | 111.1 | R452 I501 G502 A503 G507 R508 D521 V525 F554 Y562 | R452-I505 PolarHBondContact NH2-O 3.41Å; I501-I505 HydrophobicContact CG2-CD1 3.67Å; I501-I505 HydrophobicContact CG2-CG1 4.49Å; I501-I505 WeakPolarHBondContact O-CB 3.44Å; I501-I505 VanDerWaalsContact O-CG1 3.3Å; I501-I505 WeakPolarHBondContact O-CG1 3.46Å; I501-I505 PolarHBondContact O-N 3.19Å; G502-I505 PolarHBondContact O-N 3.42Å; A503-I505 VanDerWaalsContact C-N 3.34Å; A503-I505 PolarHBondContact O-N 3.44Å; I505-G507 VanDerWaalsContact C-N 3.27Å; I505-G507 PolarHBondContact O-N 3.32Å; I505-R508 WeakPolarHBondContact O-CB 3.45Å; I505-R508 PolarHBondContact O-N 2.9Å; I505-D521 WeakPolarHBondContact CG1-OD1 3.42Å; I505-V525 HydrophobicContact CD1-CG2 3.71Å; I505-F554 HydrophobicContact CD1-CD2 4.49Å; I505-F554 HydrophobicContact CD1-CE2 3.77Å; I505-Y562 HydrophobicContact CG2-CD2 4.32Å; I505-Y562 HydrophobicContact CG2-CE2 3.87Å |
| 506 | G | 88.9 | Confident | 84.3 | Confident | 18 Ų | 18 | 37.7 Ų | 37.7 | 19% | 0.186 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -28.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G502 A503 V504 R508 | G502-G506 PolarHBondContact O-N 2.87Å; A503-G506 CarbonylContact O-C 3.59Å; A503-G506 PolarHBondContact O-N 3.29Å; A503-G506 VanDerWaalsContact O-N 3.16Å; V504-G506 PolarHBondContact O-N 3.13Å; G506-R508 PolarHBondContact O-N 3.48Å |
| 507 | G | 85.2 | Confident | 83.8 | Confident | 17 Ų | 17 | 39.6 Ų | 39.6 | 18% | 0.175 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 6.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R452 A503 V504 I505 V509 | R452-G507 VanDerWaalsContact CD-C 3.47Å; R452-G507 WeakPolarHBondContact CD-O 3.36Å; R452-G507 PolarHBondContact NE-O 2.97Å; A503-G507 PolarHBondContact O-N 3.49Å; V504-G507 PolarHBondContact O-N 3.12Å; I505-G507 VanDerWaalsContact C-N 3.27Å; I505-G507 PolarHBondContact O-N 3.32Å; G507-V509 PolarHBondContact O-N 3.31Å |
| 508 | R | 81.9 | Confident | 83.3 | Confident | 26 Ų | 26 | 39.9 Ų | 39.9 | 10% | 0.098 | 23% | 0.228 | C | C | . | . | trans | -66.5 | 121.3 | -177.5 | -169.5 | 168.1 | 173.4 | -92.4 | 7.6 | 111.8 | R452 I505 G506 S513 D518 I561 | R452-R508 VanDerWaalsContact CZ-CB 3.46Å; R452-R508 VanDerWaalsContact NH1-CB 3.27Å; I505-R508 WeakPolarHBondContact O-CB 3.45Å; I505-R508 PolarHBondContact O-N 2.9Å; G506-R508 PolarHBondContact O-N 3.48Å; R508-S513 VanDerWaalsContact NE-CB 3.34Å; R508-S513 PolarHBondContact NH2-OG 3.18Å; R508-D518 IonicContact CZ-OD1 3Å; R508-D518 VanDerWaalsContact CZ-OD1 3.29Å; R508-D518 IonicContact NE-OD1 3.79Å; R508-D518 PolarHBondContact NE-OD1 3.35Å; R508-D518 IonicContact NH2-OD1 2.64Å; R508-D518 PolarHBondContact NH2-OD1 3.04Å; R508-D518 IonicContact NH2-OD2 3Å; R508-D518 PolarHBondContact NH2-OD2 3.49Å; R508-D518 VanDerWaalsContact NH2-OD2 3.14Å; R508-I561 HydrophobicContact CB-CD1 4.01Å; R508-I561 HydrophobicContact CB-CG1 4.31Å; R508-I561 HydrophobicContact CB-CG2 4Å; R508-I561 HydrophobicContact CG-CG2 4.29Å | ||
| 509 | V | 73.3 | Confident | 83 | Confident | 67 Ų | 67 | 41.4 Ų | 41.4 | 41% | 0.406 | 24% | 0.241 | S | C | . | . | trans | -91.9 | 115.1 | 174.1 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | G507 F511 A512 | G507-V509 PolarHBondContact O-N 3.31Å; V509-F511 HydrophobicContact CG1-CD1 3.92Å; V509-F511 HydrophobicContact CG1-CD2 3.71Å; V509-F511 HydrophobicContact CG1-CE1 3.43Å; V509-F511 VanDerWaalsContact CG1-CE1 3.43Å; V509-F511 HydrophobicContact CG1-CE2 3.21Å; V509-F511 HydrophobicContact CG1-CG 4.05Å; V509-F511 HydrophobicContact CG1-CZ 3.07Å; V509-F511 PolarHBondContact O-N 3.42Å; V509-A512 HydrophobicContact CB-CB 4.46Å; V509-A512 PolarHBondContact O-N 2.95Å | ||
| 510 | S | 61.4 | Low | 82.8 | Confident | 87 Ų | 87 | 42.6 Ų | 42.6 | 61% | 0.608 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -20.1 | -167.6 | -48.3 | 0 | 0 | 0 | 0 | 116 | ||
| 511 | F | 57.8 | Low | 82.6 | Confident | 171 Ų | 171 | 42.6 Ų | 42.6 | 75% | 0.75 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -5.1 | -178.9 | 42.6 | -94.6 | 0 | 0 | 0 | 114.3 | V509 | V509-F511 HydrophobicContact CG1-CD1 3.92Å; V509-F511 HydrophobicContact CG1-CD2 3.71Å; V509-F511 HydrophobicContact CG1-CE1 3.43Å; V509-F511 VanDerWaalsContact CG1-CE1 3.43Å; V509-F511 HydrophobicContact CG1-CE2 3.21Å; V509-F511 HydrophobicContact CG1-CG 4.05Å; V509-F511 HydrophobicContact CG1-CZ 3.07Å; V509-F511 PolarHBondContact O-N 3.42Å |
| 512 | A | 59.4 | Low | 82.3 | Confident | 60 Ų | 60 | 42.6 Ų | 42.6 | 50% | 0.496 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 1.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V509 | V509-A512 HydrophobicContact CB-CB 4.46Å; V509-A512 PolarHBondContact O-N 2.95Å |
| 513 | S | 65.6 | Low | 82.3 | Confident | 29 Ų | 29 | 45 Ų | 45 | 20% | 0.203 | 26% | 0.258 | C | S | . | . | trans | -78.4 | 132 | -175.3 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | R508 | R508-S513 VanDerWaalsContact NE-CB 3.34Å; R508-S513 PolarHBondContact NH2-OG 3.18Å | ||
| 514 | T | 75.4 | Confident | 82.4 | Confident | 67 Ų | 67 | 44.7 Ų | 44.7 | 41% | 0.411 | 26% | 0.256 | S | S | . | . | trans | -102.5 | 156 | 171.3 | 70.4 | 0 | 0 | 0 | 0 | 111.1 | E516 Q517 D518 | T514-E516 PolarHBondContact O-N 3.03Å; T514-E516 VanDerWaalsContact O-N 3.15Å; T514-Q517 WeakPolarHBondContact O-CB 3.2Å; T514-Q517 PolarHBondContact O-N 3.39Å; T514-Q517 WeakPolarHBondContact OG1-CG 3.49Å; T514-Q517 PolarHBondContact OG1-N 3.1Å; T514-D518 PolarHBondContact O-N 3.37Å | ||
| 515 | D | 81.1 | Confident | 82.5 | Confident | 89 Ų | 89 | 44.8 Ų | 44.8 | 48% | 0.476 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -54.2 | -31.5 | 174.1 | -84.1 | 3.9 | 0 | 0 | 0 | 113.2 | A519 K572 | D515-A519 PolarHBondContact O-N 3.42Å; D515-K572 HydrophobicContact CB-CD 3.83Å; D515-K572 HydrophobicContact CB-CG 4.38Å; D515-K572 WeakPolarHBondContact O-CD 3.46Å; D515-K572 IonicContact OD2-NZ 2.66Å |
| 516 | E | 83.9 | Confident | 82.7 | Confident | 138 Ų | 138 | 44.9 Ų | 44.9 | 65% | 0.645 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -69.8 | -39.7 | 177.9 | -68.4 | 171.8 | 176.9 | 0 | 0 | 111.7 | T514 D518 A519 M520 | T514-E516 PolarHBondContact O-N 3.03Å; T514-E516 VanDerWaalsContact O-N 3.15Å; E516-D518 VanDerWaalsContact C-N 3.3Å; E516-D518 PolarHBondContact O-N 3.48Å; E516-A519 WeakPolarHBondContact O-CB 3.07Å; E516-A519 PolarHBondContact O-N 3.5Å; E516-M520 WeakPolarHBondContact O-CG 3.41Å; E516-M520 PolarHBondContact O-N 3.45Å; E516-M520 VanDerWaalsContact O-N 3.09Å |
| 517 | Q | 86.4 | Confident | 83 | Confident | 40 Ų | 40 | 45.6 Ų | 45.6 | 19% | 0.187 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 174.6 | -64.4 | 179.3 | -10.2 | 0 | 0 | 111.6 | Y455 T514 A519 M520 D521 | Y455-Q517 HydrophobicContact CD1-CB 3.99Å; Y455-Q517 HydrophobicContact CD1-CG 3.91Å; Y455-Q517 HydrophobicContact CE1-CB 4.3Å; T514-Q517 WeakPolarHBondContact O-CB 3.2Å; T514-Q517 PolarHBondContact O-N 3.39Å; T514-Q517 WeakPolarHBondContact OG1-CG 3.49Å; T514-Q517 PolarHBondContact OG1-N 3.1Å; Q517-A519 VanDerWaalsContact C-N 3.32Å; Q517-A519 PolarHBondContact O-N 3.03Å; Q517-M520 HydrophobicContact CB-CE 4.29Å; Q517-M520 HydrophobicContact CG-CE 3.96Å; Q517-M520 WeakPolarHBondContact O-CB 3.21Å; Q517-M520 PolarHBondContact O-N 2.93Å; Q517-D521 PolarHBondContact O-N 3.5Å |
| 518 | D | 87.5 | Confident | 83.6 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.8 | -32 | 176.3 | -73.2 | -14.5 | 0 | 0 | 0 | 113 | R508 T514 E516 G522 Y562 S570 | R508-D518 IonicContact CZ-OD1 3Å; R508-D518 VanDerWaalsContact CZ-OD1 3.29Å; R508-D518 IonicContact NE-OD1 3.79Å; R508-D518 PolarHBondContact NE-OD1 3.35Å; R508-D518 IonicContact NH2-OD1 2.64Å; R508-D518 PolarHBondContact NH2-OD1 3.04Å; R508-D518 IonicContact NH2-OD2 3Å; R508-D518 PolarHBondContact NH2-OD2 3.49Å; R508-D518 VanDerWaalsContact NH2-OD2 3.14Å; T514-D518 PolarHBondContact O-N 3.37Å; E516-D518 VanDerWaalsContact C-N 3.3Å; E516-D518 PolarHBondContact O-N 3.48Å; D518-G522 PolarHBondContact O-N 3.45Å; D518-G522 VanDerWaalsContact O-N 3.07Å; D518-Y562 PolarHBondContact OD1-OH 2.97Å; D518-Y562 VanDerWaalsContact OD1-OH 3.07Å; D518-S570 WeakPolarHBondContact CB-OG 2.92Å; D518-S570 VanDerWaalsContact OD2-CB 3.23Å; D518-S570 WeakPolarHBondContact OD2-CB 3.49Å; D518-S570 PolarHBondContact OD2-OG 2.95Å |
| 519 | A | 89.4 | Confident | 84.3 | Confident | 33 Ų | 33 | 44.1 Ų | 44.1 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.6 | -39.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D515 E516 Q517 G522 E523 K572 | D515-A519 PolarHBondContact O-N 3.42Å; E516-A519 WeakPolarHBondContact O-CB 3.07Å; E516-A519 PolarHBondContact O-N 3.5Å; Q517-A519 VanDerWaalsContact C-N 3.32Å; Q517-A519 PolarHBondContact O-N 3.03Å; A519-G522 PolarHBondContact O-N 2.95Å; A519-E523 PolarHBondContact O-N 3.47Å; A519-E523 VanDerWaalsContact O-N 3.16Å; A519-K572 HydrophobicContact CB-CB 4.29Å |
| 520 | M | 92.1 | Very high | 85.3 | Confident | 40 Ų | 40 | 45.3 Ų | 45.3 | 20% | 0.197 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.2 | -41.5 | 174.5 | -66.6 | -172.6 | -75.4 | 0 | 0 | 112.2 | Y455 E456 C459 E516 Q517 G522 E523 L524 | Y455-M520 HydrophobicContact CD1-CE 3.79Å; Y455-M520 HydrophobicContact CE1-CB 4.38Å; Y455-M520 HydrophobicContact CE1-CE 4.45Å; Y455-M520 HydrophobicContact CG-CE 4.4Å; E456-M520 HydrophobicContact CB-SD 4.13Å; E456-M520 HydrophobicContact CG-SD 4.31Å; C459-M520 HydrophobicContact CB-CB 4.3Å; C459-M520 HydrophobicContact CB-SD 4.02Å; E516-M520 WeakPolarHBondContact O-CG 3.41Å; E516-M520 PolarHBondContact O-N 3.45Å; E516-M520 VanDerWaalsContact O-N 3.09Å; Q517-M520 HydrophobicContact CB-CE 4.29Å; Q517-M520 HydrophobicContact CG-CE 3.96Å; Q517-M520 WeakPolarHBondContact O-CB 3.21Å; Q517-M520 PolarHBondContact O-N 2.93Å; M520-G522 PolarHBondContact O-N 3.43Å; M520-E523 WeakPolarHBondContact O-CB 3.36Å; M520-E523 PolarHBondContact O-N 2.95Å; M520-E523 VanDerWaalsContact O-N 3.16Å; M520-L524 PolarHBondContact O-N 3.2Å |
| 521 | D | 92.6 | Very high | 87 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.6 | -39 | 171.5 | -74.7 | -36.3 | 0 | 0 | 0 | 110.3 | R452 Y455 I505 Q517 E523 L524 V525 Y562 L573 | R452-D521 IonicContact NH2-OD1 3.18Å; R452-D521 IonicContact NH2-OD2 2.82Å; Y455-D521 WeakPolarHBondContact CE1-OD1 3.48Å; Y455-D521 PolarHBondContact OH-OD1 2.89Å; I505-D521 WeakPolarHBondContact CG1-OD1 3.42Å; Q517-D521 PolarHBondContact O-N 3.5Å; D521-E523 PolarHBondContact O-N 2.71Å; D521-L524 PolarHBondContact O-N 3.46Å; D521-V525 WeakPolarHBondContact O-CB 3.16Å; D521-V525 WeakPolarHBondContact O-CG2 3.28Å; D521-V525 PolarHBondContact O-N 3.24Å; D521-Y562 HydrophobicContact CB-CE2 4.19Å; D521-Y562 VanDerWaalsContact CB-OH 3.27Å; D521-Y562 WeakPolarHBondContact CB-OH 3.33Å; D521-Y562 VanDerWaalsContact CG-OH 3.28Å; D521-Y562 PolarHBondContact OD2-OH 3.02Å; D521-L573 HydrophobicContact CB-CD1 4.06Å |
| 522 | G | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D518 A519 M520 V525 C526 L573 | D518-G522 PolarHBondContact O-N 3.45Å; D518-G522 VanDerWaalsContact O-N 3.07Å; A519-G522 PolarHBondContact O-N 2.95Å; M520-G522 PolarHBondContact O-N 3.43Å; G522-V525 PolarHBondContact O-N 3.47Å; G522-C526 WeakPolarHBondContact O-CB 3.36Å; G522-C526 PolarHBondContact O-N 2.96Å; G522-C526 PolarHBondContact O-SG 3.27Å; G522-L573 VanDerWaalsContact CA-CD1 3.47Å; G522-L573 VanDerWaalsContact N-CD1 3.34Å |
| 523 | E | 94.1 | Very high | 90.4 | Very high | 51 Ų | 51 | 35.3 Ų | 35.3 | 24% | 0.238 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.3 | -42.8 | 175.4 | -76.1 | -72.1 | 172.9 | 0 | 0 | 112.8 | A519 M520 D521 R527 R576 | A519-E523 PolarHBondContact O-N 3.47Å; A519-E523 VanDerWaalsContact O-N 3.16Å; M520-E523 WeakPolarHBondContact O-CB 3.36Å; M520-E523 PolarHBondContact O-N 2.95Å; M520-E523 VanDerWaalsContact O-N 3.16Å; D521-E523 PolarHBondContact O-N 2.71Å; E523-R527 PolarHBondContact O-N 3.48Å; E523-R527 PolarHBondContact O-NH1 3.39Å; E523-R527 IonicContact OE2-CZ 3.3Å; E523-R527 IonicContact OE2-NH1 2.75Å; E523-R527 PolarHBondContact OE2-NH1 2.92Å; E523-R527 IonicContact OE2-NH2 3.99Å; E523-R576 VanDerWaalsContact CD-NE 3.32Å; E523-R576 HydrophobicContact CG-CG 4.47Å; E523-R576 IonicContact OE1-CZ 3.9Å; E523-R576 IonicContact OE1-NE 3.87Å; E523-R576 PolarHBondContact OE1-NE 3.01Å; E523-R576 IonicContact OE1-NH2 3.73Å; E523-R576 PolarHBondContact OE1-NH2 3.2Å; E523-R576 IonicContact OE2-NE 3.85Å; E523-R576 IonicContact OE2-NH2 3.27Å |
| 524 | L | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.3 | -42.7 | 179.4 | -64.1 | 178.1 | 0 | 0 | 0 | 111.2 | L462 V463 I501 M520 D521 C526 R527 V528 | L462-L524 HydrophobicContact CB-CD2 3.93Å; L462-L524 HydrophobicContact CD1-CD1 4.3Å; V463-L524 HydrophobicContact CG2-CD2 3.84Å; I501-L524 HydrophobicContact CD1-CD2 4.38Å; I501-L524 HydrophobicContact CG1-CD2 4.34Å; I501-L524 HydrophobicContact CG2-CB 3.8Å; I501-L524 HydrophobicContact CG2-CD1 4.45Å; M520-L524 PolarHBondContact O-N 3.2Å; D521-L524 PolarHBondContact O-N 3.46Å; L524-C526 VanDerWaalsContact C-N 3.34Å; L524-C526 PolarHBondContact O-N 3.37Å; L524-R527 PolarHBondContact O-N 2.94Å; L524-V528 PolarHBondContact O-N 3.45Å |
| 525 | V | 95.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 177.3 | 171.7 | 0 | 0 | 0 | 0 | 111 | I505 D521 G522 R527 V528 L529 F554 F558 L577 | I505-V525 HydrophobicContact CD1-CG2 3.71Å; D521-V525 WeakPolarHBondContact O-CB 3.16Å; D521-V525 WeakPolarHBondContact O-CG2 3.28Å; D521-V525 PolarHBondContact O-N 3.24Å; G522-V525 PolarHBondContact O-N 3.47Å; V525-R527 VanDerWaalsContact C-N 3.29Å; V525-R527 PolarHBondContact O-N 3.29Å; V525-V528 PolarHBondContact O-N 3.2Å; V525-L529 HydrophobicContact CG1-CD1 3.82Å; V525-L529 HydrophobicContact CG1-CG 4.19Å; V525-L529 WeakPolarHBondContact O-CG 3.46Å; V525-L529 PolarHBondContact O-N 3.44Å; V525-F554 HydrophobicContact CB-CZ 4.24Å; V525-F554 HydrophobicContact CG1-CZ 4.09Å; V525-F554 HydrophobicContact CG2-CE2 4.21Å; V525-F554 HydrophobicContact CG2-CZ 3.93Å; V525-F558 HydrophobicContact CB-CE2 4.41Å; V525-F558 HydrophobicContact CG1-CD2 4.31Å; V525-F558 HydrophobicContact CG1-CE2 3.93Å; V525-F558 HydrophobicContact CG2-CD2 3.65Å; V525-F558 HydrophobicContact CG2-CE2 3.63Å; V525-L577 HydrophobicContact CB-CD2 4.14Å; V525-L577 HydrophobicContact CG1-CD2 3.58Å |
| 526 | C | 95.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -53.8 | -46.3 | 177.1 | -77.5 | 0 | 0 | 0 | 0 | 112.3 | G522 L524 L529 Q530 V580 | G522-C526 WeakPolarHBondContact O-CB 3.36Å; G522-C526 PolarHBondContact O-N 2.96Å; G522-C526 PolarHBondContact O-SG 3.27Å; L524-C526 VanDerWaalsContact C-N 3.34Å; L524-C526 PolarHBondContact O-N 3.37Å; C526-L529 PolarHBondContact O-N 3.47Å; C526-Q530 WeakPolarHBondContact O-CB 3.39Å; C526-Q530 VanDerWaalsContact O-CG 3.26Å; C526-Q530 WeakPolarHBondContact O-CG 3.26Å; C526-Q530 PolarHBondContact O-N 2.96Å; C526-V580 HydrophobicContact CB-CB 4.35Å; C526-V580 HydrophobicContact CB-CG1 4.02Å |
| 527 | R | 96.6 | Very high | 93.1 | Very high | 34 Ų | 34 | 27.9 Ų | 27.9 | 13% | 0.128 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -45.7 | -179.8 | -76.8 | 169 | 176 | 74.9 | 4.6 | 112.7 | V463 F466 D467 E523 L524 V525 L529 Q530 L531 | V463-R527 VanDerWaalsContact CG1-NH2 3.27Å; F466-R527 HydrophobicContact CD1-CB 3.74Å; F466-R527 HydrophobicContact CD1-CG 4.14Å; F466-R527 HydrophobicContact CE1-CB 3.59Å; F466-R527 HydrophobicContact CE1-CG 4.35Å; F466-R527 HydrophobicContact CG-CB 4.36Å; F466-R527 HydrophobicContact CZ-CB 4.08Å; F466-R527 WeakPolarHBondContact CZ-O 3.34Å; D467-R527 WeakPolarHBondContact OD1-CD 3.48Å; D467-R527 IonicContact OD1-CZ 3.43Å; D467-R527 IonicContact OD1-NE 2.86Å; D467-R527 PolarHBondContact OD1-NE 3.45Å; D467-R527 IonicContact OD1-NH2 2.65Å; D467-R527 IonicContact OD2-CZ 2.97Å; D467-R527 IonicContact OD2-NE 3.14Å; D467-R527 PolarHBondContact OD2-NE 3.19Å; D467-R527 IonicContact OD2-NH2 2.7Å; D467-R527 PolarHBondContact OD2-NH2 3.28Å; E523-R527 PolarHBondContact O-N 3.48Å; E523-R527 PolarHBondContact O-NH1 3.39Å; E523-R527 IonicContact OE2-CZ 3.3Å; E523-R527 IonicContact OE2-NH1 2.75Å; E523-R527 PolarHBondContact OE2-NH1 2.92Å; E523-R527 IonicContact OE2-NH2 3.99Å; L524-R527 PolarHBondContact O-N 2.94Å; V525-R527 VanDerWaalsContact C-N 3.29Å; V525-R527 PolarHBondContact O-N 3.29Å; R527-L529 VanDerWaalsContact C-N 3.34Å; R527-L529 PolarHBondContact O-N 3.16Å; R527-Q530 PolarHBondContact O-N 2.81Å; R527-L531 PolarHBondContact O-N 2.78Å |
| 528 | V | 97.3 | Very high | 93 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.6 | -42.7 | 177.8 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | F466 V498 I501 L524 V525 L531 M532 M551 F554 | F466-V528 HydrophobicContact CE2-CG2 4.29Å; V498-V528 HydrophobicContact CG1-CG1 4.13Å; V498-V528 HydrophobicContact CG2-CG1 4.33Å; V498-V528 HydrophobicContact CG2-CG2 4.44Å; I501-V528 HydrophobicContact CB-CG2 4.34Å; I501-V528 HydrophobicContact CD1-CG2 3.94Å; I501-V528 HydrophobicContact CG2-CG2 3.83Å; L524-V528 PolarHBondContact O-N 3.45Å; V525-V528 PolarHBondContact O-N 3.2Å; V528-L531 PolarHBondContact O-N 3.43Å; V528-M532 PolarHBondContact O-N 3.26Å; V528-M551 HydrophobicContact CG1-CE 4.35Å; V528-M551 HydrophobicContact CG1-SD 3.64Å; V528-F554 HydrophobicContact CB-CD2 4.39Å; V528-F554 HydrophobicContact CB-CE1 4.23Å; V528-F554 HydrophobicContact CB-CE2 4.04Å; V528-F554 HydrophobicContact CB-CZ 3.95Å; V528-F554 HydrophobicContact CG1-CD1 3.66Å; V528-F554 HydrophobicContact CG1-CD2 3.99Å; V528-F554 HydrophobicContact CG1-CE1 3.74Å; V528-F554 HydrophobicContact CG1-CE2 4.05Å; V528-F554 HydrophobicContact CG1-CG 3.79Å; V528-F554 HydrophobicContact CG1-CZ 3.93Å; V528-F554 HydrophobicContact CG2-CD2 4.21Å; V528-F554 HydrophobicContact CG2-CE2 4Å; V528-F554 HydrophobicContact CG2-CZ 4.42Å |
| 529 | L | 96.3 | Very high | 93 | Very high | 10 Ų | 10 | 29.5 Ų | 29.5 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.3 | -34.8 | 178 | -66.6 | -178.3 | 0 | 0 | 0 | 113 | V525 C526 R527 M532 N533 F554 F555 L581 L583 V592 | V525-L529 HydrophobicContact CG1-CD1 3.82Å; V525-L529 HydrophobicContact CG1-CG 4.19Å; V525-L529 WeakPolarHBondContact O-CG 3.46Å; V525-L529 PolarHBondContact O-N 3.44Å; C526-L529 PolarHBondContact O-N 3.47Å; R527-L529 VanDerWaalsContact C-N 3.34Å; R527-L529 PolarHBondContact O-N 3.16Å; L529-M532 HydrophobicContact CD2-CE 4.31Å; L529-M532 HydrophobicContact CD2-SD 4.41Å; L529-M532 PolarHBondContact O-N 3.04Å; L529-N533 PolarHBondContact O-N 3.31Å; L529-N533 PolarHBondContact O-ND2 2.68Å; L529-F554 HydrophobicContact CD2-CE1 4.42Å; L529-F555 HydrophobicContact CD2-CE1 4.02Å; L529-F555 HydrophobicContact CD2-CZ 3.82Å; L529-L581 HydrophobicContact CB-CD1 3.74Å; L529-L581 HydrophobicContact CD1-CD1 3.56Å; L529-L581 HydrophobicContact CG-CD1 4.28Å; L529-L583 HydrophobicContact CD1-CD1 4.03Å; L529-V592 HydrophobicContact CD2-CG1 4.03Å |
| 530 | Q | 95.4 | Very high | 92.6 | Very high | 92 Ų | 92 | 31.7 Ų | 31.7 | 43% | 0.43 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.3 | -43.3 | 171.9 | -75.3 | 171.9 | -25.6 | 0 | 0 | 111.7 | C526 R527 M532 N533 L534 L581 | C526-Q530 WeakPolarHBondContact O-CB 3.39Å; C526-Q530 VanDerWaalsContact O-CG 3.26Å; C526-Q530 WeakPolarHBondContact O-CG 3.26Å; C526-Q530 PolarHBondContact O-N 2.96Å; R527-Q530 PolarHBondContact O-N 2.81Å; Q530-M532 VanDerWaalsContact C-N 3.34Å; Q530-N533 PolarHBondContact O-N 3.18Å; Q530-L534 PolarHBondContact O-N 3.42Å; Q530-L534 VanDerWaalsContact O-N 3.13Å; Q530-L581 HydrophobicContact CG-CD2 3.87Å |
| 531 | L | 95.8 | Very high | 92 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -43.3 | 174.2 | 175.5 | 64.2 | 0 | 0 | 0 | 111.3 | F466 Y473 L494 V498 R527 V528 N533 L534 T535 L547 M551 | F466-L531 HydrophobicContact CE1-CB 4.35Å; F466-L531 HydrophobicContact CE2-CD2 4.08Å; F466-L531 HydrophobicContact CZ-CB 3.77Å; F466-L531 HydrophobicContact CZ-CD2 3.68Å; F466-L531 HydrophobicContact CZ-CG 4.34Å; Y473-L531 HydrophobicContact CD1-CD1 4.43Å; L494-L531 HydrophobicContact CB-CD2 4.03Å; L494-L531 HydrophobicContact CD1-CD1 3.89Å; L494-L531 HydrophobicContact CD1-CD2 4.29Å; L494-L531 HydrophobicContact CD2-CD2 4.09Å; L494-L531 HydrophobicContact CG-CD2 4.36Å; V498-L531 HydrophobicContact CG2-CD2 3.93Å; R527-L531 PolarHBondContact O-N 2.78Å; V528-L531 PolarHBondContact O-N 3.43Å; L531-N533 VanDerWaalsContact C-N 3.33Å; L531-N533 PolarHBondContact O-N 3.31Å; L531-L534 HydrophobicContact CD1-CD2 4.42Å; L531-L534 WeakPolarHBondContact O-CB 3.36Å; L531-L534 PolarHBondContact O-N 2.94Å; L531-L534 VanDerWaalsContact O-N 3.12Å; L531-T535 HydrophobicContact CD1-CG2 4.1Å; L531-T535 HydrophobicContact CG-CG2 4.39Å; L531-T535 WeakPolarHBondContact O-CG2 3.33Å; L531-T535 PolarHBondContact O-N 2.93Å; L531-T535 PolarHBondContact O-OG1 3.05Å; L531-L547 HydrophobicContact CD2-CD1 4.34Å; L531-M551 HydrophobicContact CB-CE 4.12Å; L531-M551 HydrophobicContact CD2-CE 3.62Å; L531-M551 HydrophobicContact CG-CE 3.67Å |
| 532 | M | 95.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 39.8 Ų | 39.8 | 3% | 0.034 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.5 | -45.4 | 175.5 | -177 | -162.5 | 72.4 | 0 | 0 | 111.6 | V528 L529 Q530 L534 T535 D536 M551 F555 V592 K596 | V528-M532 PolarHBondContact O-N 3.26Å; L529-M532 HydrophobicContact CD2-CE 4.31Å; L529-M532 HydrophobicContact CD2-SD 4.41Å; L529-M532 PolarHBondContact O-N 3.04Å; Q530-M532 VanDerWaalsContact C-N 3.34Å; M532-L534 VanDerWaalsContact C-N 3.27Å; M532-L534 PolarHBondContact O-N 3.37Å; M532-T535 WeakPolarHBondContact CA-OG1 3.23Å; M532-T535 PolarHBondContact O-N 3.1Å; M532-T535 PolarHBondContact O-OG1 3.26Å; M532-D536 VanDerWaalsContact O-CB 3.22Å; M532-D536 WeakPolarHBondContact O-CB 3.37Å; M532-D536 VanDerWaalsContact O-CG 3.24Å; M532-D536 PolarHBondContact O-N 3.39Å; M532-M551 HydrophobicContact CB-CE 4.18Å; M532-M551 HydrophobicContact CB-SD 4.17Å; M532-F555 HydrophobicContact SD-CE2 3.69Å; M532-F555 HydrophobicContact SD-CZ 3.57Å; M532-F555 VanDerWaalsContact SD-CZ 3.57Å; M532-V592 HydrophobicContact CE-CG1 3.82Å; M532-K596 HydrophobicContact CG-CD 4.17Å; M532-K596 HydrophobicContact SD-CB 4.17Å; M532-K596 HydrophobicContact SD-CD 3.87Å; M532-K596 HydrophobicContact SD-CG 4.1Å |
| 533 | N | 93.1 | Very high | 90.8 | Very high | 95 Ų | 95 | 41.8 Ų | 41.8 | 51% | 0.508 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.3 | -38.5 | 176.8 | -70.8 | -26.6 | 0 | 0 | 0 | 112 | L529 Q530 L531 S537 | L529-N533 PolarHBondContact O-N 3.31Å; L529-N533 PolarHBondContact O-ND2 2.68Å; Q530-N533 PolarHBondContact O-N 3.18Å; L531-N533 VanDerWaalsContact C-N 3.33Å; L531-N533 PolarHBondContact O-N 3.31Å; N533-S537 WeakPolarHBondContact O-CB 3.5Å; N533-S537 PolarHBondContact O-N 3.14Å |
| 534 | L | 91.5 | Very high | 90.5 | Very high | 39 Ų | 39 | 41.1 Ų | 41.1 | 20% | 0.204 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.7 | -48.4 | 175.8 | 179.3 | 69 | 0 | 0 | 0 | 111.4 | Y473 Q474 L477 Q530 L531 M532 S537 | Y473-L534 HydrophobicContact CD1-CD2 3.89Å; Y473-L534 HydrophobicContact CE1-CD2 4.11Å; Q474-L534 HydrophobicContact CG-CD1 4.49Å; Q474-L534 HydrophobicContact CG-CD2 3.53Å; L477-L534 HydrophobicContact CD1-CD2 4.47Å; Q530-L534 PolarHBondContact O-N 3.42Å; Q530-L534 VanDerWaalsContact O-N 3.13Å; L531-L534 HydrophobicContact CD1-CD2 4.42Å; L531-L534 WeakPolarHBondContact O-CB 3.36Å; L531-L534 PolarHBondContact O-N 2.94Å; L531-L534 VanDerWaalsContact O-N 3.12Å; M532-L534 VanDerWaalsContact C-N 3.27Å; M532-L534 PolarHBondContact O-N 3.37Å; L534-S537 PolarHBondContact O-OG 3.21Å |
| 535 | T | 91.5 | Very high | 90.3 | Very high | 12 Ų | 12 | 46 Ų | 46 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.6 | -43.3 | -178.6 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | L531 M532 S537 R538 L539 L547 | L531-T535 HydrophobicContact CD1-CG2 4.1Å; L531-T535 HydrophobicContact CG-CG2 4.39Å; L531-T535 WeakPolarHBondContact O-CG2 3.33Å; L531-T535 PolarHBondContact O-N 2.93Å; L531-T535 PolarHBondContact O-OG1 3.05Å; M532-T535 WeakPolarHBondContact CA-OG1 3.23Å; M532-T535 PolarHBondContact O-N 3.1Å; M532-T535 PolarHBondContact O-OG1 3.26Å; T535-S537 VanDerWaalsContact C-N 3.29Å; T535-S537 PolarHBondContact O-N 2.87Å; T535-R538 PolarHBondContact O-N 3.09Å; T535-L539 PolarHBondContact O-N 3.33Å; T535-L547 HydrophobicContact CG2-CD2 3.67Å |
| 536 | D | 91.3 | Very high | 90.1 | Very high | 27 Ų | 27 | 49.2 Ų | 49.2 | 14% | 0.144 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.6 | -37.6 | -178.6 | -77.4 | 13.1 | 0 | 0 | 0 | 111.9 | M532 R538 L539 K596 T599 | M532-D536 VanDerWaalsContact O-CB 3.22Å; M532-D536 WeakPolarHBondContact O-CB 3.37Å; M532-D536 VanDerWaalsContact O-CG 3.24Å; M532-D536 PolarHBondContact O-N 3.39Å; D536-R538 PolarHBondContact O-N 2.6Å; D536-R538 VanDerWaalsContact O-N 3.11Å; D536-L539 HydrophobicContact CB-CD1 4.44Å; D536-L539 PolarHBondContact O-N 3.43Å; D536-K596 IonicContact OD1-NZ 3.14Å; D536-K596 PolarHBondContact OD1-NZ 2.84Å; D536-K596 WeakPolarHBondContact OD2-CD 3.44Å; D536-K596 IonicContact OD2-NZ 2.96Å; D536-T599 HydrophobicContact CB-CG2 4.44Å |
| 537 | S | 88.4 | Confident | 89.9 | Confident | 90 Ų | 90 | 49.3 Ų | 49.3 | 63% | 0.629 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19 | 176.9 | 75.4 | 0 | 0 | 0 | 0 | 113.6 | N533 L534 T535 | N533-S537 WeakPolarHBondContact O-CB 3.5Å; N533-S537 PolarHBondContact O-N 3.14Å; L534-S537 PolarHBondContact O-OG 3.21Å; T535-S537 VanDerWaalsContact C-N 3.29Å; T535-S537 PolarHBondContact O-N 2.87Å |
| 538 | R | 86.1 | Confident | 89.9 | Confident | 61 Ų | 61 | 47.8 Ų | 47.8 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -3.7 | -174.1 | -61.1 | -170.8 | 69.5 | -135.6 | 4.8 | 114.6 | T535 D536 A540 Q541 A542 | T535-R538 PolarHBondContact O-N 3.09Å; D536-R538 PolarHBondContact O-N 2.6Å; D536-R538 VanDerWaalsContact O-N 3.11Å; R538-A540 PolarHBondContact O-N 3.07Å; R538-Q541 PolarHBondContact O-N 2.85Å; R538-A542 CarbonylContact C-O 3.46Å; R538-A542 PolarHBondContact O-N 2.98Å; R538-A542 VanDerWaalsContact O-O 3.05Å |
| 539 | L | 86.3 | Confident | 89.7 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 9% | 0.094 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -26.6 | -177.6 | -74 | 174.4 | 0 | 0 | 0 | 114.2 | T535 D536 Q541 T599 Y603 W604 | T535-L539 PolarHBondContact O-N 3.33Å; D536-L539 HydrophobicContact CB-CD1 4.44Å; D536-L539 PolarHBondContact O-N 3.43Å; L539-Q541 VanDerWaalsContact C-N 3.25Å; L539-Q541 PolarHBondContact O-N 2.94Å; L539-T599 HydrophobicContact CD1-CG2 3.46Å; L539-T599 VanDerWaalsContact CD1-CG2 3.46Å; L539-Y603 HydrophobicContact CB-CD1 4.37Å; L539-Y603 HydrophobicContact CB-CD2 4.13Å; L539-Y603 HydrophobicContact CB-CG 4.04Å; L539-Y603 HydrophobicContact CD1-CD2 4.14Å; L539-W604 HydrophobicContact CD2-CZ2 3.81Å |
| 540 | A | 81 | Confident | 89.6 | Confident | 78 Ų | 78 | 48.7 Ų | 48.7 | 65% | 0.645 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -21 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | R538 Y603 | R538-A540 PolarHBondContact O-N 3.07Å; A540-Y603 HydrophobicContact CB-CE1 4.09Å |
| 541 | Q | 80.3 | Confident | 89.6 | Confident | 161 Ų | 161 | 44.3 Ų | 44.3 | 75% | 0.752 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -45.8 | -176.2 | -62.4 | 175.5 | 5.8 | 0 | 0 | 111.9 | R538 L539 | R538-Q541 PolarHBondContact O-N 2.85Å; L539-Q541 VanDerWaalsContact C-N 3.25Å; L539-Q541 PolarHBondContact O-N 2.94Å |
| 542 | A | 77.3 | Confident | 89.6 | Confident | 50 Ų | 50 | 44.3 Ų | 44.3 | 41% | 0.413 | 26% | 0.255 | S | S | . | . | trans | -153.4 | 134.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | R538 | R538-A542 CarbonylContact C-O 3.46Å; R538-A542 PolarHBondContact O-N 2.98Å; R538-A542 VanDerWaalsContact O-O 3.05Å | ||
| 543 | G | 81 | Confident | 89.6 | Confident | 42 Ų | 42 | 44.3 Ų | 44.3 | 43% | 0.433 | 26% | 0.256 | S | S | . | . | trans | -136.4 | 145.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 544 | N | 88.6 | Confident | 89.7 | Confident | 37 Ų | 37 | 39.9 Ų | 39.9 | 20% | 0.198 | 23% | 0.232 | C | C | . | . | trans | -112.3 | 114.1 | 177.2 | -174.2 | -54.3 | 0 | 0 | 0 | 109.9 | E491 K546 L547 E548 | E491-N544 WeakPolarHBondContact CB-ND2 3.45Å; E491-N544 PolarHBondContact OE2-ND2 2.89Å; N544-K546 VanDerWaalsContact C-N 3.33Å; N544-K546 PolarHBondContact O-N 3.01Å; N544-K546 WeakPolarHBondContact OD1-CA 3.49Å; N544-K546 WeakPolarHBondContact OD1-CB 3.4Å; N544-K546 PolarHBondContact OD1-N 3.41Å; N544-L547 HydrophobicContact CB-CB 4.08Å; N544-L547 PolarHBondContact O-N 3.47Å; N544-L547 PolarHBondContact OD1-N 3.02Å; N544-E548 WeakPolarHBondContact O-CG 3.46Å; N544-E548 PolarHBondContact O-N 3.48Å; N544-E548 VanDerWaalsContact O-N 3.1Å | ||
| 545 | E | 90.9 | Very high | 89.9 | Confident | 102 Ų | 102 | 38.2 Ų | 38.2 | 48% | 0.477 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.5 | -38.7 | -177.6 | -67.3 | -175.6 | -173.1 | 0 | 0 | 112.9 | E548 L549 W604 I610 | E545-E548 PolarHBondContact O-N 2.98Å; E545-L549 VanDerWaalsContact O-CG 3.32Å; E545-L549 WeakPolarHBondContact O-CG 3.21Å; E545-L549 PolarHBondContact O-N 3.39Å; E545-W604 HydrophobicContact CG-CE3 4.23Å; E545-W604 HydrophobicContact CG-CH2 3.67Å; E545-W604 HydrophobicContact CG-CZ3 3.35Å; E545-I610 HydrophobicContact CB-CD1 4.13Å; E545-I610 HydrophobicContact CG-CD1 4.07Å |
| 546 | K | 91.4 | Very high | 90 | Very high | 70 Ų | 70 | 41 Ų | 41 | 30% | 0.304 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67 | -44.1 | -178 | -63 | -176.9 | 173.6 | -179.9 | 0 | 110.5 | D432 E435 T495 N544 E548 L549 A550 | D432-K546 IonicContact OD2-NZ 2.69Å; D432-K546 PolarHBondContact OD2-NZ 3.12Å; E435-K546 IonicContact OE1-NZ 3.87Å; E435-K546 PolarHBondContact OE1-NZ 2.8Å; E435-K546 VanDerWaalsContact OE1-NZ 3.08Å; T495-K546 HydrophobicContact CG2-CB 4.06Å; T495-K546 WeakPolarHBondContact CG2-O 3.32Å; N544-K546 VanDerWaalsContact C-N 3.33Å; N544-K546 PolarHBondContact O-N 3.01Å; N544-K546 WeakPolarHBondContact OD1-CA 3.49Å; N544-K546 WeakPolarHBondContact OD1-CB 3.4Å; N544-K546 PolarHBondContact OD1-N 3.41Å; K546-E548 VanDerWaalsContact C-N 3.33Å; K546-E548 PolarHBondContact O-N 3.28Å; K546-L549 PolarHBondContact O-N 3.15Å; K546-A550 PolarHBondContact O-N 3.27Å |
| 547 | L | 93.6 | Very high | 90 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 176.9 | -173.9 | 55.6 | 0 | 0 | 0 | 111.7 | L494 T495 V498 L531 T535 N544 A550 M551 | L494-L547 HydrophobicContact CB-CD1 4.33Å; T495-L547 WeakPolarHBondContact OG1-CA 3.47Å; T495-L547 WeakPolarHBondContact OG1-CB 3.41Å; T495-L547 PolarHBondContact OG1-N 2.66Å; V498-L547 HydrophobicContact CG2-CD1 4.22Å; L531-L547 HydrophobicContact CD2-CD1 4.34Å; T535-L547 HydrophobicContact CG2-CD2 3.67Å; N544-L547 HydrophobicContact CB-CB 4.08Å; N544-L547 PolarHBondContact O-N 3.47Å; N544-L547 PolarHBondContact OD1-N 3.02Å; L547-A550 WeakPolarHBondContact O-CB 3.16Å; L547-A550 PolarHBondContact O-N 3.2Å; L547-M551 HydrophobicContact CD1-CE 4.25Å; L547-M551 WeakPolarHBondContact O-CG 3.49Å; L547-M551 PolarHBondContact O-N 3.44Å |
| 548 | E | 94.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.5 | -41.6 | 176.1 | -76.6 | -63.3 | 156.5 | 0 | 0 | 113.2 | N544 E545 K546 A550 M551 L552 K596 N600 W604 I610 | N544-E548 WeakPolarHBondContact O-CG 3.46Å; N544-E548 PolarHBondContact O-N 3.48Å; N544-E548 VanDerWaalsContact O-N 3.1Å; E545-E548 PolarHBondContact O-N 2.98Å; K546-E548 VanDerWaalsContact C-N 3.33Å; K546-E548 PolarHBondContact O-N 3.28Å; E548-A550 VanDerWaalsContact C-N 3.29Å; E548-A550 PolarHBondContact O-N 3.27Å; E548-M551 PolarHBondContact O-N 3.47Å; E548-L552 WeakPolarHBondContact O-CG 3.29Å; E548-L552 PolarHBondContact O-N 2.99Å; E548-K596 IonicContact OE1-NZ 2.77Å; E548-K596 PolarHBondContact OE1-NZ 2.91Å; E548-K596 WeakPolarHBondContact OE2-CE 3.16Å; E548-K596 IonicContact OE2-NZ 3.59Å; E548-K596 PolarHBondContact OE2-NZ 2.9Å; E548-N600 PolarHBondContact OE2-ND2 3.46Å; E548-N600 PolarHBondContact OE2-OD1 3.32Å; E548-W604 HydrophobicContact CG-CZ2 3.83Å; E548-I610 HydrophobicContact CB-CD1 4.04Å |
| 549 | L | 93.5 | Very high | 90.4 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 15% | 0.152 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.3 | -35.3 | 173.5 | -69.8 | 170.7 | 0 | 0 | 0 | 111.9 | E545 K546 L552 S553 P609 I610 K613 | E545-L549 VanDerWaalsContact O-CG 3.32Å; E545-L549 WeakPolarHBondContact O-CG 3.21Å; E545-L549 PolarHBondContact O-N 3.39Å; K546-L549 PolarHBondContact O-N 3.15Å; L549-L552 PolarHBondContact O-N 3.12Å; L549-S553 WeakPolarHBondContact O-CB 3.44Å; L549-S553 PolarHBondContact O-N 3.31Å; L549-P609 HydrophobicContact CD2-CB 4.46Å; L549-I610 HydrophobicContact CD2-CG1 3.85Å; L549-I610 HydrophobicContact CG-CG1 4.05Å; L549-K613 HydrophobicContact CD2-CD 4Å |
| 550 | A | 94.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T495 V498 Y499 K546 L547 E548 L552 S553 F554 | T495-A550 HydrophobicContact CG2-CB 3.93Å; V498-A550 HydrophobicContact CB-CB 4.02Å; V498-A550 HydrophobicContact CG1-CB 3.82Å; V498-A550 WeakPolarHBondContact CG1-O 3.32Å; Y499-A550 HydrophobicContact CD1-CB 4.31Å; Y499-A550 HydrophobicContact CD2-CB 3.54Å; Y499-A550 HydrophobicContact CE1-CB 4.25Å; Y499-A550 HydrophobicContact CE2-CB 3.46Å; Y499-A550 VanDerWaalsContact CE2-CB 3.46Å; Y499-A550 HydrophobicContact CG-CB 3.96Å; Y499-A550 PolarHBondContact OH-N 2.91Å; K546-A550 PolarHBondContact O-N 3.27Å; L547-A550 WeakPolarHBondContact O-CB 3.16Å; L547-A550 PolarHBondContact O-N 3.2Å; E548-A550 VanDerWaalsContact C-N 3.29Å; E548-A550 PolarHBondContact O-N 3.27Å; A550-L552 VanDerWaalsContact C-N 3.35Å; A550-L552 PolarHBondContact O-N 2.68Å; A550-S553 WeakPolarHBondContact O-CB 3.25Å; A550-S553 PolarHBondContact O-N 2.92Å; A550-F554 WeakPolarHBondContact O-CB 3.41Å; A550-F554 PolarHBondContact O-N 2.84Å |
| 551 | M | 96 | Very high | 90.7 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.2 | -44.5 | 175.4 | -69.1 | -64.8 | -179.1 | 0 | 0 | 111.7 | V498 V528 L531 M532 L547 E548 S553 F554 F555 | V498-M551 HydrophobicContact CG1-SD 3.98Å; V498-M551 HydrophobicContact CG2-CE 3.99Å; V498-M551 HydrophobicContact CG2-SD 4.34Å; V528-M551 HydrophobicContact CG1-CE 4.35Å; V528-M551 HydrophobicContact CG1-SD 3.64Å; L531-M551 HydrophobicContact CB-CE 4.12Å; L531-M551 HydrophobicContact CD2-CE 3.62Å; L531-M551 HydrophobicContact CG-CE 3.67Å; M532-M551 HydrophobicContact CB-CE 4.18Å; M532-M551 HydrophobicContact CB-SD 4.17Å; L547-M551 HydrophobicContact CD1-CE 4.25Å; L547-M551 WeakPolarHBondContact O-CG 3.49Å; L547-M551 PolarHBondContact O-N 3.44Å; E548-M551 PolarHBondContact O-N 3.47Å; M551-S553 PolarHBondContact O-N 3.4Å; M551-F554 WeakPolarHBondContact O-CB 3.41Å; M551-F554 PolarHBondContact O-N 2.99Å; M551-F555 WeakPolarHBondContact O-CD2 3.4Å; M551-F555 PolarHBondContact O-N 2.82Å |
| 552 | L | 95.2 | Very high | 91 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | 175.8 | -70.2 | 173.3 | 0 | 0 | 0 | 112.1 | E548 L549 A550 F554 F555 E556 I610 K613 T614 L617 | E548-L552 WeakPolarHBondContact O-CG 3.29Å; E548-L552 PolarHBondContact O-N 2.99Å; L549-L552 PolarHBondContact O-N 3.12Å; A550-L552 VanDerWaalsContact C-N 3.35Å; A550-L552 PolarHBondContact O-N 2.68Å; L552-F554 VanDerWaalsContact C-N 3.34Å; L552-F555 PolarHBondContact O-N 2.91Å; L552-E556 PolarHBondContact O-N 3.29Å; L552-I610 HydrophobicContact CD1-CG2 4.16Å; L552-K613 HydrophobicContact CD1-CB 3.83Å; L552-T614 WeakPolarHBondContact CD1-OG1 3.49Å; L552-L617 HydrophobicContact CD2-CD2 4.2Å |
| 553 | S | 94.2 | Very high | 91.4 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 5% | 0.049 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.3 | -41.4 | 174.6 | -169 | 0 | 0 | 0 | 0 | 111.8 | Y499 L549 A550 M551 E556 Q557 | Y499-S553 VanDerWaalsContact CE1-CB 3.44Å; L549-S553 WeakPolarHBondContact O-CB 3.44Å; L549-S553 PolarHBondContact O-N 3.31Å; A550-S553 WeakPolarHBondContact O-CB 3.25Å; A550-S553 PolarHBondContact O-N 2.92Å; M551-S553 PolarHBondContact O-N 3.4Å; S553-E556 PolarHBondContact O-N 3.33Å; S553-Q557 WeakPolarHBondContact O-CG 3.34Å; S553-Q557 PolarHBondContact O-N 3.16Å; S553-Q557 VanDerWaalsContact O-N 3.1Å |
| 554 | F | 96.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.009 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.4 | -47.7 | 174.2 | 164.5 | -92.8 | 0 | 0 | 0 | 111.5 | V498 I501 I505 V525 V528 L529 A550 M551 L552 E556 Q557 F558 | V498-F554 HydrophobicContact CG1-CB 3.9Å; I501-F554 HydrophobicContact CG2-CD2 4.23Å; I501-F554 HydrophobicContact CG2-CE2 4.05Å; I505-F554 HydrophobicContact CD1-CD2 4.49Å; I505-F554 HydrophobicContact CD1-CE2 3.77Å; V525-F554 HydrophobicContact CB-CZ 4.24Å; V525-F554 HydrophobicContact CG1-CZ 4.09Å; V525-F554 HydrophobicContact CG2-CE2 4.21Å; V525-F554 HydrophobicContact CG2-CZ 3.93Å; V528-F554 HydrophobicContact CB-CD2 4.39Å; V528-F554 HydrophobicContact CB-CE1 4.23Å; V528-F554 HydrophobicContact CB-CE2 4.04Å; V528-F554 HydrophobicContact CB-CZ 3.95Å; V528-F554 HydrophobicContact CG1-CD1 3.66Å; V528-F554 HydrophobicContact CG1-CD2 3.99Å; V528-F554 HydrophobicContact CG1-CE1 3.74Å; V528-F554 HydrophobicContact CG1-CE2 4.05Å; V528-F554 HydrophobicContact CG1-CG 3.79Å; V528-F554 HydrophobicContact CG1-CZ 3.93Å; V528-F554 HydrophobicContact CG2-CD2 4.21Å; V528-F554 HydrophobicContact CG2-CE2 4Å; V528-F554 HydrophobicContact CG2-CZ 4.42Å; L529-F554 HydrophobicContact CD2-CE1 4.42Å; A550-F554 WeakPolarHBondContact O-CB 3.41Å; A550-F554 PolarHBondContact O-N 2.84Å; M551-F554 WeakPolarHBondContact O-CB 3.41Å; M551-F554 PolarHBondContact O-N 2.99Å; L552-F554 VanDerWaalsContact C-N 3.34Å; F554-E556 VanDerWaalsContact C-N 3.28Å; F554-E556 PolarHBondContact O-N 2.87Å; F554-Q557 PolarHBondContact O-N 2.98Å; F554-F558 WeakPolarHBondContact O-CB 3.45Å; F554-F558 PolarHBondContact O-N 3.12Å |
| 555 | F | 95.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.2 | -37 | 177.6 | -82.3 | -61.2 | 0 | 0 | 0 | 112.6 | L529 M532 M551 L552 R559 V592 F593 K596 L617 | L529-F555 HydrophobicContact CD2-CE1 4.02Å; L529-F555 HydrophobicContact CD2-CZ 3.82Å; M532-F555 HydrophobicContact SD-CE2 3.69Å; M532-F555 HydrophobicContact SD-CZ 3.57Å; M532-F555 VanDerWaalsContact SD-CZ 3.57Å; M551-F555 WeakPolarHBondContact O-CD2 3.4Å; M551-F555 PolarHBondContact O-N 2.82Å; L552-F555 PolarHBondContact O-N 2.91Å; F555-R559 WeakPolarHBondContact O-CB 3.5Å; F555-R559 PolarHBondContact O-N 3.46Å; F555-V592 HydrophobicContact CE1-CG1 4.42Å; F555-V592 HydrophobicContact CZ-CG1 4.26Å; F555-F593 HydrophobicContact CB-CD1 4.27Å; F555-F593 HydrophobicContact CB-CE1 3.72Å; F555-F593 HydrophobicContact CB-CZ 4.16Å; F555-F593 AromaticContact CD1-CD1 3.83Å; F555-F593 HydrophobicContact CD1-CD1 3.83Å; F555-F593 AromaticContact CD1-CD2 3.79Å; F555-F593 HydrophobicContact CD1-CD2 3.79Å; F555-F593 AromaticContact CD1-CE1 3.54Å; F555-F593 HydrophobicContact CD1-CE1 3.54Å; F555-F593 AromaticContact CD1-CE2 3.48Å; F555-F593 HydrophobicContact CD1-CE2 3.48Å; F555-F593 VanDerWaalsContact CD1-CE2 3.48Å; F555-F593 AromaticContact CD1-CG 3.98Å; F555-F593 HydrophobicContact CD1-CG 3.98Å; F555-F593 AromaticContact CD1-CZ 3.37Å; F555-F593 HydrophobicContact CD1-CZ 3.37Å; F555-F593 HydrophobicContact CE1-CD1 4.5Å; F555-F593 AromaticContact CE1-CD2 3.84Å; F555-F593 HydrophobicContact CE1-CD2 3.84Å; F555-F593 HydrophobicContact CE1-CE1 4.5Å; F555-F593 AromaticContact CE1-CE2 3.81Å; F555-F593 HydrophobicContact CE1-CE2 3.81Å; F555-F593 HydrophobicContact CE1-CG 4.22Å; F555-F593 HydrophobicContact CE1-CZ 4.19Å; F555-F593 HydrophobicContact CG-CD1 4.27Å; F555-F593 HydrophobicContact CG-CE1 4Å; F555-F593 HydrophobicContact CG-CZ 4.22Å; F555-F593 WeakPolarHBondContact O-CE1 3.36Å; F555-K596 HydrophobicContact CD2-CG 4.36Å; F555-K596 HydrophobicContact CE2-CB 4.15Å; F555-K596 HydrophobicContact CE2-CG 3.78Å; F555-K596 HydrophobicContact CZ-CB 4.39Å; F555-K596 HydrophobicContact CZ-CG 4.49Å; F555-L617 HydrophobicContact CB-CD1 4.43Å; F555-L617 HydrophobicContact CB-CD2 3.77Å; F555-L617 HydrophobicContact CG-CD2 4.38Å |
| 556 | E | 92.9 | Very high | 88.9 | Confident | 69 Ų | 69 | 32.9 Ų | 32.9 | 32% | 0.322 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.1 | -47.3 | 175 | -168 | -170.9 | 150 | 0 | 0 | 111.6 | L552 S553 F554 R559 K560 | L552-E556 PolarHBondContact O-N 3.29Å; S553-E556 PolarHBondContact O-N 3.33Å; F554-E556 VanDerWaalsContact C-N 3.28Å; F554-E556 PolarHBondContact O-N 2.87Å; E556-R559 PolarHBondContact O-N 3.09Å; E556-K560 WeakPolarHBondContact O-CG 3.41Å; E556-K560 PolarHBondContact O-N 3.33Å; E556-K560 VanDerWaalsContact OE1-CE 3.26Å; E556-K560 WeakPolarHBondContact OE1-CE 3.12Å; E556-K560 IonicContact OE1-NZ 3.13Å; E556-K560 PolarHBondContact OE1-NZ 3.06Å |
| 557 | Q | 92.1 | Very high | 87.7 | Confident | 15 Ų | 15 | 31.5 Ų | 31.5 | 7% | 0.07 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.5 | -43.6 | 178.8 | -63.5 | -63.2 | -13.1 | 0 | 0 | 112 | G502 S553 F554 R559 K560 I561 | G502-Q557 WeakPolarHBondContact O-CB 3.3Å; G502-Q557 WeakPolarHBondContact O-CG 3.42Å; S553-Q557 WeakPolarHBondContact O-CG 3.34Å; S553-Q557 PolarHBondContact O-N 3.16Å; S553-Q557 VanDerWaalsContact O-N 3.1Å; F554-Q557 PolarHBondContact O-N 2.98Å; Q557-R559 VanDerWaalsContact C-N 3.32Å; Q557-R559 PolarHBondContact O-N 2.88Å; Q557-K560 PolarHBondContact O-N 3.39Å; Q557-I561 PolarHBondContact O-N 3.31Å |
| 558 | F | 92.1 | Very high | 86.3 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.7 | -44 | 175.2 | -176.6 | -88.8 | 0 | 0 | 0 | 111.3 | V525 F554 I561 Y562 I563 L573 V589 F593 | V525-F558 HydrophobicContact CB-CE2 4.41Å; V525-F558 HydrophobicContact CG1-CD2 4.31Å; V525-F558 HydrophobicContact CG1-CE2 3.93Å; V525-F558 HydrophobicContact CG2-CD2 3.65Å; V525-F558 HydrophobicContact CG2-CE2 3.63Å; F554-F558 WeakPolarHBondContact O-CB 3.45Å; F554-F558 PolarHBondContact O-N 3.12Å; F558-I561 PolarHBondContact O-N 3.36Å; F558-Y562 AromaticContact CD2-CD2 3.74Å; F558-Y562 HydrophobicContact CD2-CD2 3.74Å; F558-Y562 HydrophobicContact CD2-CE2 4.49Å; F558-Y562 AromaticContact CE2-CD2 3.59Å; F558-Y562 HydrophobicContact CE2-CD2 3.59Å; F558-Y562 HydrophobicContact CE2-CE2 4.36Å; F558-Y562 HydrophobicContact CE2-CG 4.16Å; F558-Y562 HydrophobicContact CG-CD2 4.43Å; F558-Y562 HydrophobicContact CZ-CD2 4.18Å; F558-Y562 HydrophobicContact CZ-CG 4.31Å; F558-Y562 PolarHBondContact O-N 2.74Å; F558-I563 HydrophobicContact CD1-CD1 4.05Å; F558-I563 HydrophobicContact CD1-CG1 4.3Å; F558-I563 HydrophobicContact CE1-CD1 3.95Å; F558-I563 HydrophobicContact CE1-CG1 4.04Å; F558-L573 HydrophobicContact CE2-CD2 4.09Å; F558-L573 HydrophobicContact CZ-CD2 4.07Å; F558-V589 HydrophobicContact CE1-CG1 3.75Å; F558-V589 HydrophobicContact CZ-CG1 4.32Å; F558-F593 AromaticContact CD1-CE2 3.82Å; F558-F593 HydrophobicContact CD1-CE2 3.82Å; F558-F593 AromaticContact CD1-CZ 3.77Å; F558-F593 HydrophobicContact CD1-CZ 3.77Å; F558-F593 HydrophobicContact CE1-CE2 4.19Å |
| 559 | R | 90.2 | Very high | 84.9 | Confident | 50 Ų | 50 | 47 Ų | 47 | 19% | 0.189 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.7 | -50.9 | 176.6 | -176.1 | -167.8 | 72.8 | 87 | -9 | 111 | F555 E556 Q557 I561 I563 F593 D620 L621 | F555-R559 WeakPolarHBondContact O-CB 3.5Å; F555-R559 PolarHBondContact O-N 3.46Å; E556-R559 PolarHBondContact O-N 3.09Å; Q557-R559 VanDerWaalsContact C-N 3.32Å; Q557-R559 PolarHBondContact O-N 2.88Å; R559-I561 PolarHBondContact O-N 3.49Å; R559-I561 VanDerWaalsContact O-N 3.08Å; R559-I563 HydrophobicContact CB-CB 4.5Å; R559-I563 HydrophobicContact CG-CB 4.04Å; R559-I563 HydrophobicContact CG-CG2 4.37Å; R559-I563 CarbonylContact O-C 3.6Å; R559-I563 WeakPolarHBondContact O-CA 3.48Å; R559-I563 PolarHBondContact O-N 3.12Å; R559-F593 HydrophobicContact CB-CE1 4.08Å; R559-F593 HydrophobicContact CB-CZ 4.2Å; R559-D620 IonicContact CZ-OD2 2.98Å; R559-D620 IonicContact NE-OD2 2.82Å; R559-D620 IonicContact NH2-OD2 2.99Å; R559-D620 PolarHBondContact NH2-OD2 3.33Å; R559-L621 HydrophobicContact CG-CD2 4.04Å |
| 560 | K | 87.9 | Confident | 83.6 | Confident | 100 Ų | 100 | 46 Ų | 46 | 44% | 0.435 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -53.1 | -33.3 | -178.6 | -76.4 | 171.7 | -175.3 | 166.7 | 0 | 112.8 | E556 Q557 | E556-K560 WeakPolarHBondContact O-CG 3.41Å; E556-K560 PolarHBondContact O-N 3.33Å; E556-K560 VanDerWaalsContact OE1-CE 3.26Å; E556-K560 WeakPolarHBondContact OE1-CE 3.12Å; E556-K560 IonicContact OE1-NZ 3.13Å; E556-K560 PolarHBondContact OE1-NZ 3.06Å; Q557-K560 PolarHBondContact O-N 3.39Å |
| 561 | I | 87.1 | Confident | 82.3 | Confident | 22 Ų | 22 | 50 Ų | 50 | 11% | 0.113 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -96.9 | -43 | -173.9 | -61.5 | -51.3 | 0 | 0 | 0 | 113.4 | R508 Q557 F558 R559 V567 | R508-I561 HydrophobicContact CB-CD1 4.01Å; R508-I561 HydrophobicContact CB-CG1 4.31Å; R508-I561 HydrophobicContact CB-CG2 4Å; R508-I561 HydrophobicContact CG-CG2 4.29Å; Q557-I561 PolarHBondContact O-N 3.31Å; F558-I561 PolarHBondContact O-N 3.36Å; R559-I561 PolarHBondContact O-N 3.49Å; R559-I561 VanDerWaalsContact O-N 3.08Å; I561-V567 VanDerWaalsContact O-CG1 3.27Å; I561-V567 WeakPolarHBondContact O-CG1 3.18Å; I561-V567 WeakPolarHBondContact O-CG2 3.18Å |
| 562 | Y | 86.4 | Confident | 81.8 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -113.7 | -6.7 | -168.2 | -67.4 | -63.4 | 0 | 0 | 0 | 114.8 | I505 D518 D521 F558 L573 | I505-Y562 HydrophobicContact CG2-CD2 4.32Å; I505-Y562 HydrophobicContact CG2-CE2 3.87Å; D518-Y562 PolarHBondContact OD1-OH 2.97Å; D518-Y562 VanDerWaalsContact OD1-OH 3.07Å; D521-Y562 HydrophobicContact CB-CE2 4.19Å; D521-Y562 VanDerWaalsContact CB-OH 3.27Å; D521-Y562 WeakPolarHBondContact CB-OH 3.33Å; D521-Y562 VanDerWaalsContact CG-OH 3.28Å; D521-Y562 PolarHBondContact OD2-OH 3.02Å; F558-Y562 AromaticContact CD2-CD2 3.74Å; F558-Y562 HydrophobicContact CD2-CD2 3.74Å; F558-Y562 HydrophobicContact CD2-CE2 4.49Å; F558-Y562 AromaticContact CE2-CD2 3.59Å; F558-Y562 HydrophobicContact CE2-CD2 3.59Å; F558-Y562 HydrophobicContact CE2-CE2 4.36Å; F558-Y562 HydrophobicContact CE2-CG 4.16Å; F558-Y562 HydrophobicContact CG-CD2 4.43Å; F558-Y562 HydrophobicContact CZ-CD2 4.18Å; F558-Y562 HydrophobicContact CZ-CG 4.31Å; F558-Y562 PolarHBondContact O-N 2.74Å; Y562-L573 HydrophobicContact CD1-CD2 3.57Å; Y562-L573 HydrophobicContact CD2-CD2 3.99Å; Y562-L573 HydrophobicContact CE1-CD2 3.86Å; Y562-L573 HydrophobicContact CE2-CD1 4.24Å; Y562-L573 HydrophobicContact CE2-CD2 4.23Å; Y562-L573 HydrophobicContact CG-CD2 3.63Å |
| 563 | I | 84.4 | Confident | 81.4 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -129 | 112.4 | -179.3 | -54.8 | -179.9 | 0 | 0 | 0 | 110.6 | F558 R559 V589 L590 F593 L621 | F558-I563 HydrophobicContact CD1-CD1 4.05Å; F558-I563 HydrophobicContact CD1-CG1 4.3Å; F558-I563 HydrophobicContact CE1-CD1 3.95Å; F558-I563 HydrophobicContact CE1-CG1 4.04Å; R559-I563 HydrophobicContact CB-CB 4.5Å; R559-I563 HydrophobicContact CG-CB 4.04Å; R559-I563 HydrophobicContact CG-CG2 4.37Å; R559-I563 CarbonylContact O-C 3.6Å; R559-I563 WeakPolarHBondContact O-CA 3.48Å; R559-I563 PolarHBondContact O-N 3.12Å; I563-V589 HydrophobicContact CD1-CG1 4.19Å; I563-L590 HydrophobicContact CD1-CD2 4.25Å; I563-L590 HydrophobicContact CG2-CD2 3.94Å; I563-F593 HydrophobicContact CD1-CD2 4.02Å; I563-F593 HydrophobicContact CD1-CE1 4.26Å; I563-F593 HydrophobicContact CD1-CE2 3.34Å; I563-F593 HydrophobicContact CD1-CZ 3.46Å; I563-F593 VanDerWaalsContact CD1-CZ 3.46Å; I563-L621 HydrophobicContact CG2-CD2 4.37Å |
| 564 | G | 75.6 | Confident | 81 | Confident | 23 Ų | 23 | 54.7 Ų | 54.7 | 24% | 0.237 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 159.7 | 171 | 172 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q566 V567 | G564-Q566 PolarHBondContact O-N 3.49Å; G564-V567 PolarHBondContact O-N 3.36Å |
| 565 | D | 67.7 | Low | 80.6 | Confident | 86 Ų | 86 | 62.7 Ų | 62.7 | 46% | 0.46 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -23.4 | -173.1 | -64.1 | -30.8 | 0 | 0 | 0 | 113.7 | Y625 S626 | D565-Y625 PolarHBondContact OD2-N 3.09Å; D565-S626 WeakPolarHBondContact OD1-CB 3.22Å; D565-S626 PolarHBondContact OD1-N 2.76Å; D565-S626 PolarHBondContact OD1-OG 3.14Å |
| 566 | Q | 64.4 | Low | 80.3 | Confident | 186 Ų | 186 | 65.9 Ų | 65.9 | 87% | 0.869 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 5.6 | -176.7 | -61.5 | -65.3 | -24.5 | 0 | 0 | 113.5 | G564 | G564-Q566 PolarHBondContact O-N 3.49Š|
| 567 | V | 67.8 | Low | 80.2 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 24% | 0.242 | 30% | 0.296 | C | S | . | . | trans | -83.2 | 126.9 | -175.9 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | I561 G564 K569 | I561-V567 VanDerWaalsContact O-CG1 3.27Å; I561-V567 WeakPolarHBondContact O-CG1 3.18Å; I561-V567 WeakPolarHBondContact O-CG2 3.18Å; G564-V567 PolarHBondContact O-N 3.36Å; V567-K569 PolarHBondContact O-N 3.33Å | ||
| 568 | Q | 63.8 | Low | 80.1 | Confident | 142 Ų | 142 | 64.1 Ų | 64.1 | 66% | 0.664 | 31% | 0.308 | S | S | * | . | trans | -64.5 | 126.1 | 168.4 | -72.3 | -179.3 | -5.3 | 0 | 0 | 109.3 | S570 | Q568-S570 PolarHBondContact O-N 2.99Š| ||
| 569 | K | 64.6 | Low | 80.1 | Confident | 190 Ų | 190 | 69 Ų | 69 | 83% | 0.826 | 33% | 0.33 | S | S | * | . | trans | -62.5 | 97.8 | 178 | -66.3 | -177.8 | 179.9 | -179.8 | 0 | 110.1 | V567 S571 | V567-K569 PolarHBondContact O-N 3.33Å; K569-S571 PolarHBondContact O-N 3.37Å | ||
| 570 | S | 65.6 | Low | 80.1 | Confident | 9 Ų | 9 | 69.1 Ų | 69.1 | 6% | 0.063 | 34% | 0.337 | C | S | . | . | trans | -74.7 | 105.6 | 177.5 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | D518 Q568 Y574 | D518-S570 WeakPolarHBondContact CB-OG 2.92Å; D518-S570 VanDerWaalsContact OD2-CB 3.23Å; D518-S570 WeakPolarHBondContact OD2-CB 3.49Å; D518-S570 PolarHBondContact OD2-OG 2.95Å; Q568-S570 PolarHBondContact O-N 2.99Å; S570-Y574 VanDerWaalsContact O-CD2 3.22Å; S570-Y574 WeakPolarHBondContact O-CD2 3.36Å | ||
| 571 | S | 69.3 | Low | 80.2 | Confident | 84 Ų | 84 | 66.5 Ų | 66.5 | 59% | 0.587 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -70.1 | -31.5 | -176.3 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | K569 R575 | K569-S571 PolarHBondContact O-N 3.37Å; S571-R575 WeakPolarHBondContact O-CB 3.25Å; S571-R575 PolarHBondContact O-N 3.09Å; S571-R575 VanDerWaalsContact O-N 3.13Å |
| 572 | K | 83.9 | Confident | 80.4 | Confident | 80 Ų | 80 | 67.4 Ų | 67.4 | 35% | 0.348 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -78.7 | -33.6 | -176.8 | -65.8 | -156.9 | -168 | 164.4 | 0 | 113.7 | D515 A519 R575 R576 | D515-K572 HydrophobicContact CB-CD 3.83Å; D515-K572 HydrophobicContact CB-CG 4.38Å; D515-K572 WeakPolarHBondContact O-CD 3.46Å; D515-K572 IonicContact OD2-NZ 2.66Å; A519-K572 HydrophobicContact CB-CB 4.29Å; K572-R575 PolarHBondContact O-N 3.45Å; K572-R576 PolarHBondContact O-N 3.14Å; K572-R576 VanDerWaalsContact O-N 3.15Å |
| 573 | L | 87.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.8 | -56.8 | 172.1 | 179.3 | 85.6 | 0 | 0 | 0 | 110.4 | D521 G522 F558 Y562 R575 R576 L577 | D521-L573 HydrophobicContact CB-CD1 4.06Å; G522-L573 VanDerWaalsContact CA-CD1 3.47Å; G522-L573 VanDerWaalsContact N-CD1 3.34Å; F558-L573 HydrophobicContact CE2-CD2 4.09Å; F558-L573 HydrophobicContact CZ-CD2 4.07Å; Y562-L573 HydrophobicContact CD1-CD2 3.57Å; Y562-L573 HydrophobicContact CD2-CD2 3.99Å; Y562-L573 HydrophobicContact CE1-CD2 3.86Å; Y562-L573 HydrophobicContact CE2-CD1 4.24Å; Y562-L573 HydrophobicContact CE2-CD2 4.23Å; Y562-L573 HydrophobicContact CG-CD2 3.63Å; L573-R575 VanDerWaalsContact C-N 3.27Å; L573-R575 PolarHBondContact O-N 3.42Å; L573-R576 PolarHBondContact O-N 3.05Å; L573-L577 HydrophobicContact CD2-CD1 4.3Å; L573-L577 HydrophobicContact CG-CD1 4.1Å; L573-L577 WeakPolarHBondContact O-CG 3.5Å; L573-L577 PolarHBondContact O-N 3.11Å |
| 574 | Y | 86.1 | Confident | 80.6 | Confident | 31 Ų | 31 | 72.1 Ų | 72.1 | 12% | 0.122 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.2 | -31.6 | -178.7 | -71.9 | -69.9 | 0 | 0 | 0 | 112.7 | S570 R576 L577 S578 E586 V589 | S570-Y574 VanDerWaalsContact O-CD2 3.22Å; S570-Y574 WeakPolarHBondContact O-CD2 3.36Å; Y574-R576 VanDerWaalsContact C-N 3.31Å; Y574-R576 PolarHBondContact O-N 3.28Å; Y574-L577 HydrophobicContact CD1-CD1 4.19Å; Y574-L577 PolarHBondContact O-N 3.16Å; Y574-S578 WeakPolarHBondContact O-CB 3.22Å; Y574-S578 PolarHBondContact O-N 3.32Å; Y574-E586 HydrophobicContact CE1-CB 4.41Å; Y574-V589 HydrophobicContact CD1-CG2 4.46Å; Y574-V589 HydrophobicContact CE1-CG2 3.88Å |
| 575 | R | 87.8 | Confident | 81 | Confident | 170 Ų | 170 | 74.2 Ų | 74.2 | 64% | 0.642 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58.1 | -45.7 | 171.1 | -179 | 179.3 | 177.9 | 157.7 | 3 | 111.2 | S571 K572 L573 S578 E579 | S571-R575 WeakPolarHBondContact O-CB 3.25Å; S571-R575 PolarHBondContact O-N 3.09Å; S571-R575 VanDerWaalsContact O-N 3.13Å; K572-R575 PolarHBondContact O-N 3.45Å; L573-R575 VanDerWaalsContact C-N 3.27Å; L573-R575 PolarHBondContact O-N 3.42Å; R575-S578 WeakPolarHBondContact O-CB 3.47Å; R575-S578 PolarHBondContact O-N 3.3Å; R575-E579 WeakPolarHBondContact CG-OE1 3.36Å; R575-E579 IonicContact NE-OE1 2.67Å; R575-E579 PolarHBondContact NE-OE1 3.09Å; R575-E579 VanDerWaalsContact NE-OE1 3.13Å; R575-E579 WeakPolarHBondContact O-CG 3.37Å; R575-E579 PolarHBondContact O-N 3.36Å |
| 576 | R | 89 | Confident | 82 | Confident | 71 Ų | 71 | 71.5 Ų | 71.5 | 27% | 0.268 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.6 | -40.8 | -179.4 | -168.3 | 54.5 | 176.4 | 160.7 | 1.9 | 112.6 | E523 K572 L573 Y574 S578 E579 V580 | E523-R576 VanDerWaalsContact CD-NE 3.32Å; E523-R576 HydrophobicContact CG-CG 4.47Å; E523-R576 IonicContact OE1-CZ 3.9Å; E523-R576 IonicContact OE1-NE 3.87Å; E523-R576 PolarHBondContact OE1-NE 3.01Å; E523-R576 IonicContact OE1-NH2 3.73Å; E523-R576 PolarHBondContact OE1-NH2 3.2Å; E523-R576 IonicContact OE2-NE 3.85Å; E523-R576 IonicContact OE2-NH2 3.27Å; K572-R576 PolarHBondContact O-N 3.14Å; K572-R576 VanDerWaalsContact O-N 3.15Å; L573-R576 PolarHBondContact O-N 3.05Å; Y574-R576 VanDerWaalsContact C-N 3.31Å; Y574-R576 PolarHBondContact O-N 3.28Å; R576-S578 VanDerWaalsContact C-N 3.28Å; R576-S578 PolarHBondContact O-N 3.2Å; R576-E579 IonicContact NH1-OE2 3.86Å; R576-E579 PolarHBondContact NH1-OE2 3.25Å; R576-E579 PolarHBondContact O-N 3.35Å; R576-V580 PolarHBondContact O-N 2.98Å; R576-V580 VanDerWaalsContact O-N 3.13Å |
| 577 | L | 90.7 | Very high | 83.1 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.8 | -36.6 | 174 | -63.8 | 176 | 0 | 0 | 0 | 112.1 | V525 L573 Y574 L581 G582 L583 V589 | V525-L577 HydrophobicContact CB-CD2 4.14Å; V525-L577 HydrophobicContact CG1-CD2 3.58Å; L573-L577 HydrophobicContact CD2-CD1 4.3Å; L573-L577 HydrophobicContact CG-CD1 4.1Å; L573-L577 WeakPolarHBondContact O-CG 3.5Å; L573-L577 PolarHBondContact O-N 3.11Å; Y574-L577 HydrophobicContact CD1-CD1 4.19Å; Y574-L577 PolarHBondContact O-N 3.16Å; L577-L581 HydrophobicContact CD2-CD1 4.34Å; L577-L581 CarbonylContact O-C 2.95Å; L577-L581 WeakPolarHBondContact O-CA 3.38Å; L577-L581 WeakPolarHBondContact O-CB 3.13Å; L577-L581 PolarHBondContact O-N 2.98Å; L577-G582 PolarHBondContact O-N 3.46Å; L577-G582 VanDerWaalsContact O-N 3.15Å; L577-L583 CarbonylContact C-O 3.25Å; L577-L583 HydrophobicContact CB-CB 4.1Å; L577-L583 PolarHBondContact O-N 3.1Å; L577-V589 HydrophobicContact CD1-CG2 4.24Å |
| 578 | S | 90.4 | Very high | 84.2 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 32% | 0.322 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64 | -48.6 | 173.9 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | Y574 R575 R576 V580 G582 L583 N584 | Y574-S578 WeakPolarHBondContact O-CB 3.22Å; Y574-S578 PolarHBondContact O-N 3.32Å; R575-S578 WeakPolarHBondContact O-CB 3.47Å; R575-S578 PolarHBondContact O-N 3.3Å; R576-S578 VanDerWaalsContact C-N 3.28Å; R576-S578 PolarHBondContact O-N 3.2Å; S578-V580 PolarHBondContact O-N 3.4Å; S578-G582 WeakPolarHBondContact O-CA 3.26Å; S578-G582 PolarHBondContact O-N 3.44Å; S578-L583 PolarHBondContact N-O 3.38Å; S578-N584 VanDerWaalsContact CB-OD1 3.3Å; S578-N584 WeakPolarHBondContact CB-OD1 3.27Å; S578-N584 PolarHBondContact OG-OD1 3.41Å |
| 579 | E | 91.1 | Very high | 85.5 | Confident | 106 Ų | 106 | 59.9 Ų | 59.9 | 50% | 0.495 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.9 | -38 | -178.5 | -73.1 | 169.8 | -172.5 | 0 | 0 | 113.3 | R575 R576 | R575-E579 WeakPolarHBondContact CG-OE1 3.36Å; R575-E579 IonicContact NE-OE1 2.67Å; R575-E579 PolarHBondContact NE-OE1 3.09Å; R575-E579 VanDerWaalsContact NE-OE1 3.13Å; R575-E579 WeakPolarHBondContact O-CG 3.37Å; R575-E579 PolarHBondContact O-N 3.36Å; R576-E579 IonicContact NH1-OE2 3.86Å; R576-E579 PolarHBondContact NH1-OE2 3.25Å; R576-E579 PolarHBondContact O-N 3.35Å |
| 580 | V | 91.3 | Very high | 86.9 | Confident | 53 Ų | 53 | 50.9 Ų | 50.9 | 32% | 0.321 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -98.7 | -39.4 | -172.8 | -178.9 | 0 | 0 | 0 | 0 | 113.1 | C526 R576 S578 | C526-V580 HydrophobicContact CB-CB 4.35Å; C526-V580 HydrophobicContact CB-CG1 4.02Å; R576-V580 PolarHBondContact O-N 2.98Å; R576-V580 VanDerWaalsContact O-N 3.13Å; S578-V580 PolarHBondContact O-N 3.4Å |
| 581 | L | 90.9 | Very high | 88.2 | Confident | 46 Ų | 46 | 53 Ų | 53 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -115.3 | -6.3 | -173.3 | -61.5 | 177.8 | 0 | 0 | 0 | 113.5 | L529 Q530 L577 L583 | L529-L581 HydrophobicContact CB-CD1 3.74Å; L529-L581 HydrophobicContact CD1-CD1 3.56Å; L529-L581 HydrophobicContact CG-CD1 4.28Å; Q530-L581 HydrophobicContact CG-CD2 3.87Å; L577-L581 HydrophobicContact CD2-CD1 4.34Å; L577-L581 CarbonylContact O-C 2.95Å; L577-L581 WeakPolarHBondContact O-CA 3.38Å; L577-L581 WeakPolarHBondContact O-CB 3.13Å; L577-L581 PolarHBondContact O-N 2.98Å; L581-L583 HydrophobicContact CB-CD1 3.98Å; L581-L583 HydrophobicContact CB-CG 3.85Å; L581-L583 HydrophobicContact CD1-CD1 3.9Å; L581-L583 PolarHBondContact O-N 2.98Å |
| 582 | G | 90.1 | Very high | 89.4 | Confident | 40 Ų | 40 | 50.6 Ų | 50.6 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | trans | 71.4 | 14.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L577 S578 N584 | L577-G582 PolarHBondContact O-N 3.46Å; L577-G582 VanDerWaalsContact O-N 3.15Å; S578-G582 WeakPolarHBondContact O-CA 3.26Å; S578-G582 PolarHBondContact O-N 3.44Å; G582-N584 PolarHBondContact O-N 3.41Å | ||
| 583 | L | 90.1 | Very high | 90 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | trans | -88.4 | 94.1 | -179.4 | -59 | 175.2 | 0 | 0 | 0 | 110.1 | L529 L577 S578 L581 M588 V589 V592 | L529-L583 HydrophobicContact CD1-CD1 4.03Å; L577-L583 CarbonylContact C-O 3.25Å; L577-L583 HydrophobicContact CB-CB 4.1Å; L577-L583 PolarHBondContact O-N 3.1Å; S578-L583 PolarHBondContact N-O 3.38Å; L581-L583 HydrophobicContact CB-CD1 3.98Å; L581-L583 HydrophobicContact CB-CG 3.85Å; L581-L583 HydrophobicContact CD1-CD1 3.9Å; L581-L583 PolarHBondContact O-N 2.98Å; L583-M588 HydrophobicContact CB-CB 4.49Å; L583-M588 HydrophobicContact CD2-CB 3.87Å; L583-V589 HydrophobicContact CB-CG2 4.36Å; L583-V589 HydrophobicContact CD1-CG2 4.35Å; L583-V592 HydrophobicContact CD1-CG2 4.06Å; L583-V592 HydrophobicContact CD2-CG2 3.91Å | ||
| 584 | N | 86.1 | Confident | 90.3 | Very high | 88 Ų | 88 | 46.9 Ų | 46.9 | 47% | 0.471 | 25% | 0.246 | S | C | . | . | trans | -82.2 | -25.8 | -170.1 | -60.2 | -32.7 | 0 | 0 | 0 | 114.2 | S578 G582 M588 | S578-N584 VanDerWaalsContact CB-OD1 3.3Å; S578-N584 WeakPolarHBondContact CB-OD1 3.27Å; S578-N584 PolarHBondContact OG-OD1 3.41Å; G582-N584 PolarHBondContact O-N 3.41Å; N584-M588 HydrophobicContact CB-CE 4.2Å; N584-M588 HydrophobicContact CB-SD 3.97Å; N584-M588 PolarHBondContact N-SD 3.38Å | ||
| 585 | D | 83.9 | Confident | 90.8 | Very high | 67 Ų | 67 | 46.8 Ų | 46.8 | 36% | 0.358 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -146.2 | 172.5 | -174.7 | 70.2 | 22.8 | 0 | 0 | 0 | 112.9 | T587 M588 V589 | D585-T587 PolarHBondContact O-N 3.3Å; D585-T587 WeakPolarHBondContact OD1-CA 3.29Å; D585-T587 VanDerWaalsContact OD1-CB 3.25Å; D585-T587 WeakPolarHBondContact OD1-CB 3.39Å; D585-T587 PolarHBondContact OD1-N 2.89Å; D585-M588 PolarHBondContact O-N 3.21Å; D585-M588 WeakPolarHBondContact OD1-CG 3.13Å; D585-M588 PolarHBondContact OD1-N 3.47Å; D585-V589 PolarHBondContact O-N 3.38Å |
| 586 | E | 86.9 | Confident | 91.1 | Very high | 30 Ų | 30 | 38.8 Ų | 38.8 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.9 | -30.9 | 177.3 | -168.4 | -167.8 | 134.4 | 0 | 0 | 112.8 | Y574 V589 L590 K630 | Y574-E586 HydrophobicContact CE1-CB 4.41Å; E586-V589 PolarHBondContact O-N 3.4Å; E586-L590 HydrophobicContact CG-CD1 4.48Å; E586-L590 VanDerWaalsContact O-CG 3.3Å; E586-L590 WeakPolarHBondContact O-CG 3.39Å; E586-L590 PolarHBondContact O-N 3.09Å; E586-K630 IonicContact OE1-NZ 3.6Å; E586-K630 PolarHBondContact OE1-NZ 3.22Å; E586-K630 IonicContact OE2-NZ 3.31Å; E586-K630 PolarHBondContact OE2-NZ 2.99Å |
| 587 | T | 89.1 | Confident | 91.4 | Very high | 46 Ų | 46 | 35.4 Ų | 35.4 | 28% | 0.282 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.3 | -42.6 | -179.9 | -47.1 | 0 | 0 | 0 | 0 | 110.9 | D585 V589 L590 S591 L634 | D585-T587 PolarHBondContact O-N 3.3Å; D585-T587 WeakPolarHBondContact OD1-CA 3.29Å; D585-T587 VanDerWaalsContact OD1-CB 3.25Å; D585-T587 WeakPolarHBondContact OD1-CB 3.39Å; D585-T587 PolarHBondContact OD1-N 2.89Å; T587-V589 VanDerWaalsContact C-N 3.33Å; T587-L590 PolarHBondContact O-N 3.07Å; T587-S591 PolarHBondContact O-N 2.83Å; T587-L634 HydrophobicContact CG2-CD2 4Å |
| 588 | M | 90.6 | Very high | 91.5 | Very high | 73 Ų | 73 | 37 Ų | 37 | 36% | 0.36 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 174.5 | -65.4 | -176.4 | -175.6 | 0 | 0 | 111.2 | L583 N584 D585 S591 V592 | L583-M588 HydrophobicContact CB-CB 4.49Å; L583-M588 HydrophobicContact CD2-CB 3.87Å; N584-M588 HydrophobicContact CB-CE 4.2Å; N584-M588 HydrophobicContact CB-SD 3.97Å; N584-M588 PolarHBondContact N-SD 3.38Å; D585-M588 PolarHBondContact O-N 3.21Å; D585-M588 WeakPolarHBondContact OD1-CG 3.13Å; D585-M588 PolarHBondContact OD1-N 3.47Å; M588-S591 VanDerWaalsContact O-CB 3.26Å; M588-S591 WeakPolarHBondContact O-CB 3.42Å; M588-S591 PolarHBondContact O-N 3.33Å; M588-V592 PolarHBondContact O-N 2.88Å; M588-V592 VanDerWaalsContact O-N 3.16Å |
| 589 | V | 91.7 | Very high | 91.6 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 174.6 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | F558 I563 Y574 L577 L583 D585 E586 T587 S591 V592 F593 | F558-V589 HydrophobicContact CE1-CG1 3.75Å; F558-V589 HydrophobicContact CZ-CG1 4.32Å; I563-V589 HydrophobicContact CD1-CG1 4.19Å; Y574-V589 HydrophobicContact CD1-CG2 4.46Å; Y574-V589 HydrophobicContact CE1-CG2 3.88Å; L577-V589 HydrophobicContact CD1-CG2 4.24Å; L583-V589 HydrophobicContact CB-CG2 4.36Å; L583-V589 HydrophobicContact CD1-CG2 4.35Å; D585-V589 PolarHBondContact O-N 3.38Å; E586-V589 PolarHBondContact O-N 3.4Å; T587-V589 VanDerWaalsContact C-N 3.33Å; V589-S591 PolarHBondContact O-N 2.9Å; V589-V592 WeakPolarHBondContact O-CA 3.48Å; V589-V592 VanDerWaalsContact O-CB 3.31Å; V589-V592 WeakPolarHBondContact O-CB 3.41Å; V589-V592 PolarHBondContact O-N 3.06Å; V589-F593 HydrophobicContact CG1-CD2 4.05Å; V589-F593 HydrophobicContact CG1-CE2 3.84Å; V589-F593 WeakPolarHBondContact O-CD2 3.4Å; V589-F593 PolarHBondContact O-N 3.4Å; V589-F593 VanDerWaalsContact O-N 3.08Å |
| 590 | L | 92.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.4 | -34 | 173.6 | -72.7 | 171.6 | 0 | 0 | 0 | 112.1 | I563 E586 T587 V592 F593 I594 L621 K630 L631 L634 | I563-L590 HydrophobicContact CD1-CD2 4.25Å; I563-L590 HydrophobicContact CG2-CD2 3.94Å; E586-L590 HydrophobicContact CG-CD1 4.48Å; E586-L590 VanDerWaalsContact O-CG 3.3Å; E586-L590 WeakPolarHBondContact O-CG 3.39Å; E586-L590 PolarHBondContact O-N 3.09Å; T587-L590 PolarHBondContact O-N 3.07Å; L590-V592 VanDerWaalsContact C-N 3.31Å; L590-V592 PolarHBondContact O-N 3.3Å; L590-F593 WeakPolarHBondContact O-CB 3.41Å; L590-F593 PolarHBondContact O-N 2.9Å; L590-I594 WeakPolarHBondContact O-CG1 3.47Å; L590-I594 PolarHBondContact O-N 2.85Å; L590-L621 HydrophobicContact CD2-CD2 3.98Å; L590-K630 HydrophobicContact CD1-CB 3.83Å; L590-K630 HydrophobicContact CD1-CD 4.04Å; L590-L631 HydrophobicContact CB-CD2 3.97Å; L590-L631 HydrophobicContact CD1-CD2 4.48Å; L590-L631 HydrophobicContact CD1-CG 4.42Å; L590-L631 HydrophobicContact CD2-CD2 4.11Å; L590-L631 HydrophobicContact CD2-CG 4.47Å; L590-L631 HydrophobicContact CG-CD2 4.42Å; L590-L634 HydrophobicContact CB-CD1 4.35Å |
| 591 | S | 94 | Very high | 91.6 | Very high | 55 Ų | 55 | 28.9 Ų | 28.9 | 39% | 0.385 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.1 | -35.9 | 171.9 | -167.4 | 0 | 0 | 0 | 0 | 112.6 | T587 M588 V589 G595 | T587-S591 PolarHBondContact O-N 2.83Å; M588-S591 VanDerWaalsContact O-CB 3.26Å; M588-S591 WeakPolarHBondContact O-CB 3.42Å; M588-S591 PolarHBondContact O-N 3.33Å; V589-S591 PolarHBondContact O-N 2.9Å; S591-G595 PolarHBondContact O-N 3.46Å |
| 592 | V | 94.9 | Very high | 91.5 | Very high | 33 Ų | 33 | 32.9 Ų | 32.9 | 20% | 0.2 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.6 | -44.6 | 173.9 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | L529 M532 F555 L583 M588 V589 L590 I594 G595 K596 | L529-V592 HydrophobicContact CD2-CG1 4.03Å; M532-V592 HydrophobicContact CE-CG1 3.82Å; F555-V592 HydrophobicContact CE1-CG1 4.42Å; F555-V592 HydrophobicContact CZ-CG1 4.26Å; L583-V592 HydrophobicContact CD1-CG2 4.06Å; L583-V592 HydrophobicContact CD2-CG2 3.91Å; M588-V592 PolarHBondContact O-N 2.88Å; M588-V592 VanDerWaalsContact O-N 3.16Å; V589-V592 WeakPolarHBondContact O-CA 3.48Å; V589-V592 VanDerWaalsContact O-CB 3.31Å; V589-V592 WeakPolarHBondContact O-CB 3.41Å; V589-V592 PolarHBondContact O-N 3.06Å; L590-V592 VanDerWaalsContact C-N 3.31Å; L590-V592 PolarHBondContact O-N 3.3Å; V592-I594 PolarHBondContact O-N 3.06Å; V592-G595 PolarHBondContact O-N 2.89Å; V592-K596 PolarHBondContact O-N 2.68Å |
| 593 | F | 94.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.5 | -50.1 | 175.7 | -86.7 | -109.1 | 0 | 0 | 0 | 111.9 | F555 F558 R559 I563 V589 L590 K596 I597 L617 L621 | F555-F593 HydrophobicContact CB-CD1 4.27Å; F555-F593 HydrophobicContact CB-CE1 3.72Å; F555-F593 HydrophobicContact CB-CZ 4.16Å; F555-F593 AromaticContact CD1-CD1 3.83Å; F555-F593 HydrophobicContact CD1-CD1 3.83Å; F555-F593 AromaticContact CD1-CD2 3.79Å; F555-F593 HydrophobicContact CD1-CD2 3.79Å; F555-F593 AromaticContact CD1-CE1 3.54Å; F555-F593 HydrophobicContact CD1-CE1 3.54Å; F555-F593 AromaticContact CD1-CE2 3.48Å; F555-F593 HydrophobicContact CD1-CE2 3.48Å; F555-F593 VanDerWaalsContact CD1-CE2 3.48Å; F555-F593 AromaticContact CD1-CG 3.98Å; F555-F593 HydrophobicContact CD1-CG 3.98Å; F555-F593 AromaticContact CD1-CZ 3.37Å; F555-F593 HydrophobicContact CD1-CZ 3.37Å; F555-F593 HydrophobicContact CE1-CD1 4.5Å; F555-F593 AromaticContact CE1-CD2 3.84Å; F555-F593 HydrophobicContact CE1-CD2 3.84Å; F555-F593 HydrophobicContact CE1-CE1 4.5Å; F555-F593 AromaticContact CE1-CE2 3.81Å; F555-F593 HydrophobicContact CE1-CE2 3.81Å; F555-F593 HydrophobicContact CE1-CG 4.22Å; F555-F593 HydrophobicContact CE1-CZ 4.19Å; F555-F593 HydrophobicContact CG-CD1 4.27Å; F555-F593 HydrophobicContact CG-CE1 4Å; F555-F593 HydrophobicContact CG-CZ 4.22Å; F555-F593 WeakPolarHBondContact O-CE1 3.36Å; F558-F593 AromaticContact CD1-CE2 3.82Å; F558-F593 HydrophobicContact CD1-CE2 3.82Å; F558-F593 AromaticContact CD1-CZ 3.77Å; F558-F593 HydrophobicContact CD1-CZ 3.77Å; F558-F593 HydrophobicContact CE1-CE2 4.19Å; R559-F593 HydrophobicContact CB-CE1 4.08Å; R559-F593 HydrophobicContact CB-CZ 4.2Å; I563-F593 HydrophobicContact CD1-CD2 4.02Å; I563-F593 HydrophobicContact CD1-CE1 4.26Å; I563-F593 HydrophobicContact CD1-CE2 3.34Å; I563-F593 HydrophobicContact CD1-CZ 3.46Å; I563-F593 VanDerWaalsContact CD1-CZ 3.46Å; V589-F593 HydrophobicContact CG1-CD2 4.05Å; V589-F593 HydrophobicContact CG1-CE2 3.84Å; V589-F593 WeakPolarHBondContact O-CD2 3.4Å; V589-F593 PolarHBondContact O-N 3.4Å; V589-F593 VanDerWaalsContact O-N 3.08Å; L590-F593 WeakPolarHBondContact O-CB 3.41Å; L590-F593 PolarHBondContact O-N 2.9Å; F593-K596 PolarHBondContact O-N 2.87Å; F593-I597 WeakPolarHBondContact O-CD1 3.38Å; F593-I597 WeakPolarHBondContact O-CG1 3.46Å; F593-I597 PolarHBondContact O-N 3.29Å; F593-L617 HydrophobicContact CD1-CD1 4.2Å; F593-L617 HydrophobicContact CD1-CD2 4.03Å; F593-L617 HydrophobicContact CD1-CG 4.3Å; F593-L617 HydrophobicContact CE1-CD1 4.03Å; F593-L617 HydrophobicContact CE1-CD2 4.4Å; F593-L621 HydrophobicContact CB-CD1 4.06Å; F593-L621 HydrophobicContact CD1-CD1 3.84Å; F593-L621 HydrophobicContact CD1-CD2 4.4Å; F593-L621 HydrophobicContact CG-CD1 4.31Å |
| 594 | I | 95.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.3 | -39.9 | 179.7 | -64.7 | -59.5 | 0 | 0 | 0 | 111.3 | L590 V592 K596 I597 I598 L618 L631 L634 A636 V637 M640 | L590-I594 WeakPolarHBondContact O-CG1 3.47Å; L590-I594 PolarHBondContact O-N 2.85Å; V592-I594 PolarHBondContact O-N 3.06Å; I594-K596 VanDerWaalsContact C-N 3.33Å; I594-K596 PolarHBondContact O-N 3.22Å; I594-I597 HydrophobicContact CD1-CD1 4.11Å; I594-I597 PolarHBondContact O-N 3.29Å; I594-I598 HydrophobicContact CG2-CD1 3.82Å; I594-I598 HydrophobicContact CG2-CG1 4.34Å; I594-I598 WeakPolarHBondContact O-CG1 3.36Å; I594-I598 PolarHBondContact O-N 3.18Å; I594-L618 HydrophobicContact CD1-CD1 3.85Å; I594-L631 HydrophobicContact CD1-CD2 3.81Å; I594-L631 HydrophobicContact CG1-CD2 3.53Å; I594-L634 HydrophobicContact CG1-CD1 4.13Å; I594-A636 HydrophobicContact CG2-CB 3.63Å; I594-V637 HydrophobicContact CD1-CG2 4.04Å; I594-V637 HydrophobicContact CG1-CG2 3.87Å; I594-V637 HydrophobicContact CG2-CG2 3.95Å; I594-M640 HydrophobicContact CG2-SD 4.25Å |
| 595 | G | 94.8 | Very high | 91 | Very high | 30 Ų | 30 | 32.7 Ų | 32.7 | 31% | 0.309 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -54.8 | -49.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S591 V592 I598 T599 | S591-G595 PolarHBondContact O-N 3.46Å; V592-G595 PolarHBondContact O-N 2.89Å; G595-I598 PolarHBondContact O-N 3.09Å; G595-T599 WeakPolarHBondContact O-CB 3.49Å; G595-T599 PolarHBondContact O-N 2.91Å; G595-T599 PolarHBondContact O-OG1 3.15Å |
| 596 | K | 95.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 177.3 | -176 | 56.7 | 169.5 | 167.1 | 0 | 112.7 | M532 D536 E548 F555 V592 F593 I594 I598 T599 N600 | M532-K596 HydrophobicContact CG-CD 4.17Å; M532-K596 HydrophobicContact SD-CB 4.17Å; M532-K596 HydrophobicContact SD-CD 3.87Å; M532-K596 HydrophobicContact SD-CG 4.1Å; D536-K596 IonicContact OD1-NZ 3.14Å; D536-K596 PolarHBondContact OD1-NZ 2.84Å; D536-K596 WeakPolarHBondContact OD2-CD 3.44Å; D536-K596 IonicContact OD2-NZ 2.96Å; E548-K596 IonicContact OE1-NZ 2.77Å; E548-K596 PolarHBondContact OE1-NZ 2.91Å; E548-K596 WeakPolarHBondContact OE2-CE 3.16Å; E548-K596 IonicContact OE2-NZ 3.59Å; E548-K596 PolarHBondContact OE2-NZ 2.9Å; F555-K596 HydrophobicContact CD2-CG 4.36Å; F555-K596 HydrophobicContact CE2-CB 4.15Å; F555-K596 HydrophobicContact CE2-CG 3.78Å; F555-K596 HydrophobicContact CZ-CB 4.39Å; F555-K596 HydrophobicContact CZ-CG 4.49Å; V592-K596 PolarHBondContact O-N 2.68Å; F593-K596 PolarHBondContact O-N 2.87Å; I594-K596 VanDerWaalsContact C-N 3.33Å; I594-K596 PolarHBondContact O-N 3.22Å; K596-I598 VanDerWaalsContact C-N 3.35Å; K596-I598 PolarHBondContact O-N 2.99Å; K596-T599 PolarHBondContact O-N 3.42Å; K596-N600 VanDerWaalsContact CE-OD1 3.3Å; K596-N600 WeakPolarHBondContact CE-OD1 3.43Å; K596-N600 PolarHBondContact NZ-OD1 3.15Å; K596-N600 WeakPolarHBondContact O-CB 3.44Å; K596-N600 PolarHBondContact O-N 2.99Å |
| 597 | I | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.3 | -49.1 | 176.4 | -74.5 | 160.1 | 0 | 0 | 0 | 110.5 | F593 I594 N600 L601 T614 L617 L618 L621 | F593-I597 WeakPolarHBondContact O-CD1 3.38Å; F593-I597 WeakPolarHBondContact O-CG1 3.46Å; F593-I597 PolarHBondContact O-N 3.29Å; I594-I597 HydrophobicContact CD1-CD1 4.11Å; I594-I597 PolarHBondContact O-N 3.29Å; I597-N600 PolarHBondContact O-N 3.38Å; I597-L601 HydrophobicContact CG2-CD1 3.98Å; I597-L601 HydrophobicContact CG2-CG 4.44Å; I597-L601 VanDerWaalsContact O-CG 3.28Å; I597-L601 WeakPolarHBondContact O-CG 3.37Å; I597-L601 PolarHBondContact O-N 3.41Å; I597-T614 HydrophobicContact CB-CG2 4.1Å; I597-T614 HydrophobicContact CG1-CG2 4.03Å; I597-T614 HydrophobicContact CG2-CG2 3.93Å; I597-L617 HydrophobicContact CD1-CD2 4.4Å; I597-L617 HydrophobicContact CD1-CG 4.36Å; I597-L617 HydrophobicContact CG1-CD2 4.39Å; I597-L618 HydrophobicContact CD1-CB 3.99Å; I597-L618 HydrophobicContact CD1-CD1 4.17Å; I597-L618 HydrophobicContact CG2-CB 4.37Å; I597-L618 HydrophobicContact CG2-CD2 4.43Å; I597-L621 HydrophobicContact CD1-CD1 4.05Å |
| 598 | I | 92.9 | Very high | 90.5 | Very high | 35 Ų | 35 | 42.4 Ų | 42.4 | 18% | 0.179 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -45 | 179.6 | -67.1 | 170.7 | 0 | 0 | 0 | 110.9 | I594 G595 K596 N600 L601 K602 A636 M640 | I594-I598 HydrophobicContact CG2-CD1 3.82Å; I594-I598 HydrophobicContact CG2-CG1 4.34Å; I594-I598 WeakPolarHBondContact O-CG1 3.36Å; I594-I598 PolarHBondContact O-N 3.18Å; G595-I598 PolarHBondContact O-N 3.09Å; K596-I598 VanDerWaalsContact C-N 3.35Å; K596-I598 PolarHBondContact O-N 2.99Å; I598-N600 VanDerWaalsContact C-N 3.29Å; I598-N600 PolarHBondContact O-N 2.93Å; I598-L601 PolarHBondContact O-N 2.89Å; I598-K602 WeakPolarHBondContact O-CB 3.35Å; I598-K602 PolarHBondContact O-N 3.09Å; I598-A636 HydrophobicContact CD1-CB 3.78Å; I598-M640 HydrophobicContact CD1-CG 3.93Å; I598-M640 HydrophobicContact CD1-SD 3.88Å; I598-M640 HydrophobicContact CG1-CG 4.04Å; I598-M640 HydrophobicContact CG1-SD 3.7Å |
| 599 | T | 92.4 | Very high | 90.4 | Very high | 33 Ų | 33 | 42.2 Ų | 42.2 | 20% | 0.202 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55 | -47.1 | 175.3 | -64.3 | 0 | 0 | 0 | 0 | 110.9 | D536 L539 G595 K596 K602 Y603 | D536-T599 HydrophobicContact CB-CG2 4.44Å; L539-T599 HydrophobicContact CD1-CG2 3.46Å; L539-T599 VanDerWaalsContact CD1-CG2 3.46Å; G595-T599 WeakPolarHBondContact O-CB 3.49Å; G595-T599 PolarHBondContact O-N 2.91Å; G595-T599 PolarHBondContact O-OG1 3.15Å; K596-T599 PolarHBondContact O-N 3.42Å; T599-K602 PolarHBondContact O-N 3.37Å; T599-Y603 HydrophobicContact CG2-CD2 3.92Å; T599-Y603 HydrophobicContact CG2-CE2 4.26Å; T599-Y603 WeakPolarHBondContact O-CD2 3.45Å; T599-Y603 PolarHBondContact O-N 3.29Å |
| 600 | N | 93.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.5 | -43.6 | -179.6 | -77.1 | 12.7 | 0 | 0 | 0 | 112.3 | E548 K596 I597 I598 K602 W604 I610 T614 | E548-N600 PolarHBondContact OE2-ND2 3.46Å; E548-N600 PolarHBondContact OE2-OD1 3.32Å; K596-N600 VanDerWaalsContact CE-OD1 3.3Å; K596-N600 WeakPolarHBondContact CE-OD1 3.43Å; K596-N600 PolarHBondContact NZ-OD1 3.15Å; K596-N600 WeakPolarHBondContact O-CB 3.44Å; K596-N600 PolarHBondContact O-N 2.99Å; I597-N600 PolarHBondContact O-N 3.38Å; I598-N600 VanDerWaalsContact C-N 3.29Å; I598-N600 PolarHBondContact O-N 2.93Å; N600-K602 PolarHBondContact O-N 3.38Å; N600-W604 WeakPolarHBondContact O-CA 3.18Å; N600-W604 VanDerWaalsContact O-CB 3.26Å; N600-W604 WeakPolarHBondContact O-CB 3.3Å; N600-W604 PolarHBondContact O-N 2.96Å; N600-I610 HydrophobicContact CB-CG2 4.45Å; N600-T614 HydrophobicContact CB-CG2 3.89Å; N600-T614 PolarHBondContact ND2-OG1 2.7Å |
| 601 | L | 90.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66 | -27.2 | 177.1 | -63.5 | 177.8 | 0 | 0 | 0 | 112.9 | I597 I598 T611 T614 L615 F649 F651 F669 | I597-L601 HydrophobicContact CG2-CD1 3.98Å; I597-L601 HydrophobicContact CG2-CG 4.44Å; I597-L601 VanDerWaalsContact O-CG 3.28Å; I597-L601 WeakPolarHBondContact O-CG 3.37Å; I597-L601 PolarHBondContact O-N 3.41Å; I598-L601 PolarHBondContact O-N 2.89Å; L601-T611 HydrophobicContact CD2-CG2 4.18Å; L601-T614 HydrophobicContact CD2-CG2 4.1Å; L601-T614 HydrophobicContact CG-CG2 4.12Å; L601-L615 HydrophobicContact CD1-CD2 4.01Å; L601-L615 HydrophobicContact CD2-CD2 3.83Å; L601-L615 HydrophobicContact CD2-CG 4.01Å; L601-F649 HydrophobicContact CB-CD1 3.76Å; L601-F649 HydrophobicContact CB-CE1 4.11Å; L601-F649 HydrophobicContact CD1-CD1 4.18Å; L601-F649 HydrophobicContact CD1-CE1 4.15Å; L601-F651 HydrophobicContact CB-CE1 4.38Å; L601-F651 HydrophobicContact CD1-CE1 4.22Å; L601-F651 HydrophobicContact CD2-CD1 4.1Å; L601-F651 HydrophobicContact CD2-CE1 3.76Å; L601-F651 HydrophobicContact CD2-CZ 4.44Å; L601-F651 HydrophobicContact CG-CE1 4.33Å; L601-F669 HydrophobicContact CD1-CD2 4.44Å; L601-F669 HydrophobicContact CD1-CE2 4.1Å |
| 602 | K | 87.6 | Confident | 90.2 | Very high | 130 Ų | 130 | 42.3 Ų | 42.3 | 57% | 0.565 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -75.3 | -50.6 | 177.2 | -175.5 | 178.1 | 179.6 | -178.9 | 0 | 112.5 | I598 T599 N600 | I598-K602 WeakPolarHBondContact O-CB 3.35Å; I598-K602 PolarHBondContact O-N 3.09Å; T599-K602 PolarHBondContact O-N 3.37Å; N600-K602 PolarHBondContact O-N 3.38Å |
| 603 | Y | 87.8 | Confident | 90 | Very high | 105 Ų | 105 | 44.5 Ų | 44.5 | 41% | 0.412 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -92.7 | -31.7 | -173.1 | -68 | -75.2 | 0 | 0 | 0 | 113.7 | L539 A540 T599 | L539-Y603 HydrophobicContact CB-CD1 4.37Å; L539-Y603 HydrophobicContact CB-CD2 4.13Å; L539-Y603 HydrophobicContact CB-CG 4.04Å; L539-Y603 HydrophobicContact CD1-CD2 4.14Å; A540-Y603 HydrophobicContact CB-CE1 4.09Å; T599-Y603 HydrophobicContact CG2-CD2 3.92Å; T599-Y603 HydrophobicContact CG2-CE2 4.26Å; T599-Y603 WeakPolarHBondContact O-CD2 3.45Å; T599-Y603 PolarHBondContact O-N 3.29Å |
| 604 | W | 87.8 | Confident | 90.1 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 11% | 0.114 | 22% | 0.218 | C | C | . | . | trans | -105.3 | 15.6 | -174.3 | -62.5 | 106.1 | 0 | 0 | 0 | 114.2 | L539 E545 E548 N600 R606 C607 I610 T611 | L539-W604 HydrophobicContact CD2-CZ2 3.81Å; E545-W604 HydrophobicContact CG-CE3 4.23Å; E545-W604 HydrophobicContact CG-CH2 3.67Å; E545-W604 HydrophobicContact CG-CZ3 3.35Å; E548-W604 HydrophobicContact CG-CZ2 3.83Å; N600-W604 WeakPolarHBondContact O-CA 3.18Å; N600-W604 VanDerWaalsContact O-CB 3.26Å; N600-W604 WeakPolarHBondContact O-CB 3.3Å; N600-W604 PolarHBondContact O-N 2.96Å; W604-R606 PolarHBondContact O-N 2.61Å; W604-C607 HydrophobicContact CE3-CB 4.13Å; W604-C607 PolarHBondContact O-N 3.3Å; W604-I610 HydrophobicContact CB-CB 4.25Å; W604-I610 HydrophobicContact CB-CD1 4.4Å; W604-I610 HydrophobicContact CB-CG2 3.72Å; W604-I610 HydrophobicContact CD2-CD1 3.68Å; W604-I610 HydrophobicContact CE3-CD1 3.64Å; W604-I610 HydrophobicContact CG-CD1 4.04Å; W604-I610 HydrophobicContact CG-CG2 3.97Å; W604-I610 HydrophobicContact CZ3-CD1 4.1Å; W604-T611 PolarHBondContact O-OG1 3.4Å | ||
| 605 | G | 80.6 | Confident | 90 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -7.2 | -177 | 0 | 0 | 0 | 0 | 0 | 116 | F651 | G605-F651 WeakPolarHBondContact O-CB 3.42Š|
| 606 | R | 79.1 | Confident | 90 | Very high | 231 Ų | 231 | 47.2 Ų | 47.2 | 87% | 0.872 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -14.3 | 172.8 | -61.5 | -177.2 | -177.3 | 179.8 | 1 | 113.9 | W604 | W604-R606 PolarHBondContact O-N 2.61Š|
| 607 | C | 85.8 | Confident | 90 | Very high | 16 Ų | 16 | 47.5 Ų | 47.5 | 11% | 0.108 | 22% | 0.224 | C | C | . | . | trans | -94.9 | 103.4 | 178.3 | -176.4 | 0 | 0 | 0 | 0 | 109 | W604 I610 T611 | W604-C607 HydrophobicContact CE3-CB 4.13Å; W604-C607 PolarHBondContact O-N 3.3Å; C607-I610 HydrophobicContact CB-CB 4.34Å; C607-I610 HydrophobicContact CB-CD1 4.23Å; C607-I610 HydrophobicContact CB-CG1 4.48Å; C607-I610 PolarHBondContact O-N 3.11Å; C607-T611 WeakPolarHBondContact O-CB 3.35Å; C607-T611 PolarHBondContact O-N 3.46Å; C607-T611 PolarHBondContact O-OG1 2.89Å | ||
| 608 | E | 84.6 | Confident | 90 | Very high | 101 Ų | 101 | 47.6 Ų | 47.6 | 47% | 0.472 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.1 | -45.1 | -177.4 | -171.7 | -138.5 | -178.1 | 0 | 0 | 112.8 | I610 T611 S612 | E608-I610 PolarHBondContact O-N 3.2Å; E608-T611 PolarHBondContact O-N 3.33Å; E608-S612 VanDerWaalsContact O-CB 3.25Å; E608-S612 WeakPolarHBondContact O-CB 3.12Å; E608-S612 PolarHBondContact O-N 2.88Å |
| 609 | P | 88.1 | Confident | 90 | Very high | 69 Ų | 69 | 46.9 Ų | 46.9 | 45% | 0.448 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.2 | -46 | 179.3 | -26.5 | 35.3 | 0 | 0 | 0 | 113.6 | L549 K613 | L549-P609 HydrophobicContact CD2-CB 4.46Å; P609-K613 PolarHBondContact O-N 3.35Å |
| 610 | I | 91.4 | Very high | 90 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.6 | -45.4 | 178.8 | -64.8 | 173.9 | 0 | 0 | 0 | 110.1 | E545 E548 L549 L552 N600 W604 C607 E608 S612 K613 T614 | E545-I610 HydrophobicContact CB-CD1 4.13Å; E545-I610 HydrophobicContact CG-CD1 4.07Å; E548-I610 HydrophobicContact CB-CD1 4.04Å; L549-I610 HydrophobicContact CD2-CG1 3.85Å; L549-I610 HydrophobicContact CG-CG1 4.05Å; L552-I610 HydrophobicContact CD1-CG2 4.16Å; N600-I610 HydrophobicContact CB-CG2 4.45Å; W604-I610 HydrophobicContact CB-CB 4.25Å; W604-I610 HydrophobicContact CB-CD1 4.4Å; W604-I610 HydrophobicContact CB-CG2 3.72Å; W604-I610 HydrophobicContact CD2-CD1 3.68Å; W604-I610 HydrophobicContact CE3-CD1 3.64Å; W604-I610 HydrophobicContact CG-CD1 4.04Å; W604-I610 HydrophobicContact CG-CG2 3.97Å; W604-I610 HydrophobicContact CZ3-CD1 4.1Å; C607-I610 HydrophobicContact CB-CB 4.34Å; C607-I610 HydrophobicContact CB-CD1 4.23Å; C607-I610 HydrophobicContact CB-CG1 4.48Å; C607-I610 PolarHBondContact O-N 3.11Å; E608-I610 PolarHBondContact O-N 3.2Å; I610-S612 PolarHBondContact O-N 3.41Å; I610-K613 PolarHBondContact O-N 2.91Å; I610-T614 WeakPolarHBondContact O-CB 3.35Å; I610-T614 PolarHBondContact O-N 3.47Å; I610-T614 PolarHBondContact O-OG1 3.36Å |
| 611 | T | 91.2 | Very high | 90 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 179.1 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | L601 W604 C607 E608 T614 L615 F651 C665 | L601-T611 HydrophobicContact CD2-CG2 4.18Å; W604-T611 PolarHBondContact O-OG1 3.4Å; C607-T611 WeakPolarHBondContact O-CB 3.35Å; C607-T611 PolarHBondContact O-N 3.46Å; C607-T611 PolarHBondContact O-OG1 2.89Å; E608-T611 PolarHBondContact O-N 3.33Å; T611-T614 PolarHBondContact O-N 2.82Å; T611-L615 HydrophobicContact CG2-CD1 3.82Å; T611-L615 HydrophobicContact CG2-CG 4.39Å; T611-L615 WeakPolarHBondContact O-CB 3.27Å; T611-L615 VanDerWaalsContact O-CG 3.23Å; T611-L615 WeakPolarHBondContact O-CG 3.37Å; T611-L615 PolarHBondContact O-N 2.98Å; T611-F651 HydrophobicContact CG2-CB 4.27Å; T611-F651 HydrophobicContact CG2-CD1 4.43Å; T611-F651 HydrophobicContact CG2-CD2 4.23Å; T611-F651 HydrophobicContact CG2-CG 4.06Å; T611-C665 HydrophobicContact CG2-CB 4.28Å |
| 612 | S | 91.4 | Very high | 90.1 | Very high | 56 Ų | 56 | 47 Ų | 47 | 39% | 0.392 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.2 | -49.3 | 179.2 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | E608 I610 L615 Q616 | E608-S612 VanDerWaalsContact O-CB 3.25Å; E608-S612 WeakPolarHBondContact O-CB 3.12Å; E608-S612 PolarHBondContact O-N 2.88Å; I610-S612 PolarHBondContact O-N 3.41Å; S612-L615 PolarHBondContact O-N 3.05Å; S612-Q616 WeakPolarHBondContact O-CB 3.47Å; S612-Q616 PolarHBondContact O-N 3.3Å |
| 613 | K | 92.2 | Very high | 90.1 | Very high | 78 Ų | 78 | 45.8 Ų | 45.8 | 34% | 0.339 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.7 | -38.3 | 177.4 | -73.7 | -161.3 | 179.6 | -166.2 | 0 | 112.7 | L549 L552 P609 I610 Q616 L617 | L549-K613 HydrophobicContact CD2-CD 4Å; L552-K613 HydrophobicContact CD1-CB 3.83Å; P609-K613 PolarHBondContact O-N 3.35Å; I610-K613 PolarHBondContact O-N 2.91Å; K613-Q616 PolarHBondContact O-N 3.36Å; K613-L617 PolarHBondContact O-N 3.32Å |
| 614 | T | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 176 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | L552 I597 N600 L601 I610 T611 L617 L618 | L552-T614 WeakPolarHBondContact CD1-OG1 3.49Å; I597-T614 HydrophobicContact CB-CG2 4.1Å; I597-T614 HydrophobicContact CG1-CG2 4.03Å; I597-T614 HydrophobicContact CG2-CG2 3.93Å; N600-T614 HydrophobicContact CB-CG2 3.89Å; N600-T614 PolarHBondContact ND2-OG1 2.7Å; L601-T614 HydrophobicContact CD2-CG2 4.1Å; L601-T614 HydrophobicContact CG-CG2 4.12Å; I610-T614 WeakPolarHBondContact O-CB 3.35Å; I610-T614 PolarHBondContact O-N 3.47Å; I610-T614 PolarHBondContact O-OG1 3.36Å; T611-T614 PolarHBondContact O-N 2.82Å; T614-L617 WeakPolarHBondContact O-CB 3.41Å; T614-L617 PolarHBondContact O-N 3.02Å; T614-L618 PolarHBondContact O-N 3.48Å; T614-L618 VanDerWaalsContact O-N 3.08Å |
| 615 | L | 94.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.7 | -32.4 | 178.1 | -68.1 | 174.4 | 0 | 0 | 0 | 112.4 | L601 T611 S612 L617 L618 N619 F651 C665 T668 F669 | L601-L615 HydrophobicContact CD1-CD2 4.01Å; L601-L615 HydrophobicContact CD2-CD2 3.83Å; L601-L615 HydrophobicContact CD2-CG 4.01Å; T611-L615 HydrophobicContact CG2-CD1 3.82Å; T611-L615 HydrophobicContact CG2-CG 4.39Å; T611-L615 WeakPolarHBondContact O-CB 3.27Å; T611-L615 VanDerWaalsContact O-CG 3.23Å; T611-L615 WeakPolarHBondContact O-CG 3.37Å; T611-L615 PolarHBondContact O-N 2.98Å; S612-L615 PolarHBondContact O-N 3.05Å; L615-L617 VanDerWaalsContact C-N 3.33Å; L615-L618 HydrophobicContact CD2-CD2 4.45Å; L615-L618 PolarHBondContact O-N 3.23Å; L615-N619 VanDerWaalsContact O-CB 3.27Å; L615-N619 WeakPolarHBondContact O-CB 3.5Å; L615-N619 PolarHBondContact O-N 3.29Å; L615-F651 HydrophobicContact CD1-CE2 3.92Å; L615-F651 HydrophobicContact CD1-CZ 4.1Å; L615-F651 HydrophobicContact CD2-CZ 4.26Å; L615-C665 HydrophobicContact CD1-CB 3.54Å; L615-C665 WeakPolarHBondContact CD1-O 3.47Å; L615-T668 HydrophobicContact CB-CG2 4.12Å; L615-F669 HydrophobicContact CD1-CB 4.29Å; L615-F669 HydrophobicContact CD2-CB 3.79Å; L615-F669 HydrophobicContact CD2-CD2 3.49Å; L615-F669 VanDerWaalsContact CD2-CD2 3.49Å; L615-F669 HydrophobicContact CD2-CE2 4.46Å; L615-F669 HydrophobicContact CD2-CG 4.06Å |
| 616 | Q | 94.1 | Very high | 89.6 | Confident | 87 Ų | 87 | 48.3 Ų | 48.3 | 41% | 0.407 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62 | -43.3 | 171 | -173.4 | 62.3 | 35.5 | 0 | 0 | 110.8 | S612 K613 L618 N619 D620 | S612-Q616 WeakPolarHBondContact O-CB 3.47Å; S612-Q616 PolarHBondContact O-N 3.3Å; K613-Q616 PolarHBondContact O-N 3.36Å; Q616-L618 PolarHBondContact O-N 2.81Å; Q616-N619 PolarHBondContact O-N 3.37Å; Q616-D620 PolarHBondContact NE2-OD1 3.46Å; Q616-D620 WeakPolarHBondContact O-CB 3.17Å; Q616-D620 PolarHBondContact O-N 2.87Å |
| 617 | L | 94.4 | Very high | 89.9 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | 175.8 | -177.7 | 62.4 | 0 | 0 | 0 | 112 | L552 F555 F593 I597 K613 T614 L615 D620 L621 | L552-L617 HydrophobicContact CD2-CD2 4.2Å; F555-L617 HydrophobicContact CB-CD1 4.43Å; F555-L617 HydrophobicContact CB-CD2 3.77Å; F555-L617 HydrophobicContact CG-CD2 4.38Å; F593-L617 HydrophobicContact CD1-CD1 4.2Å; F593-L617 HydrophobicContact CD1-CD2 4.03Å; F593-L617 HydrophobicContact CD1-CG 4.3Å; F593-L617 HydrophobicContact CE1-CD1 4.03Å; F593-L617 HydrophobicContact CE1-CD2 4.4Å; I597-L617 HydrophobicContact CD1-CD2 4.4Å; I597-L617 HydrophobicContact CD1-CG 4.36Å; I597-L617 HydrophobicContact CG1-CD2 4.39Å; K613-L617 PolarHBondContact O-N 3.32Å; T614-L617 WeakPolarHBondContact O-CB 3.41Å; T614-L617 PolarHBondContact O-N 3.02Å; L615-L617 VanDerWaalsContact C-N 3.33Å; L617-D620 PolarHBondContact O-N 2.78Å; L617-L621 HydrophobicContact CG-CD1 4.47Å; L617-L621 WeakPolarHBondContact O-CG 3.38Å; L617-L621 PolarHBondContact O-N 3.24Å |
| 618 | L | 95.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 174.3 | -179.4 | 64.6 | 0 | 0 | 0 | 111.8 | I594 I597 T614 L615 Q616 D620 L621 S622 M640 F669 A672 L676 | I594-L618 HydrophobicContact CD1-CD1 3.85Å; I597-L618 HydrophobicContact CD1-CB 3.99Å; I597-L618 HydrophobicContact CD1-CD1 4.17Å; I597-L618 HydrophobicContact CG2-CB 4.37Å; I597-L618 HydrophobicContact CG2-CD2 4.43Å; T614-L618 PolarHBondContact O-N 3.48Å; T614-L618 VanDerWaalsContact O-N 3.08Å; L615-L618 HydrophobicContact CD2-CD2 4.45Å; L615-L618 PolarHBondContact O-N 3.23Å; Q616-L618 PolarHBondContact O-N 2.81Å; L618-D620 PolarHBondContact O-N 3.42Å; L618-L621 PolarHBondContact O-N 3.27Å; L618-S622 WeakPolarHBondContact O-CB 3.48Å; L618-S622 PolarHBondContact O-N 3.32Å; L618-M640 HydrophobicContact CD1-CE 4.47Å; L618-M640 HydrophobicContact CD2-CE 3.75Å; L618-F669 HydrophobicContact CD2-CD2 4.07Å; L618-F669 HydrophobicContact CD2-CE2 4.34Å; L618-A672 HydrophobicContact CD2-CB 4Å; L618-A672 HydrophobicContact CG-CB 3.77Å; L618-L676 HydrophobicContact CD1-CD1 4.48Å |
| 619 | N | 94.1 | Very high | 90.3 | Very high | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.112 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 178.5 | 173.1 | 71.9 | 0 | 0 | 0 | 111.7 | L615 Q616 S622 I623 T668 A672 R675 | L615-N619 VanDerWaalsContact O-CB 3.27Å; L615-N619 WeakPolarHBondContact O-CB 3.5Å; L615-N619 PolarHBondContact O-N 3.29Å; Q616-N619 PolarHBondContact O-N 3.37Å; N619-S622 PolarHBondContact O-N 3.35Å; N619-S622 PolarHBondContact O-OG 2.65Å; N619-I623 WeakPolarHBondContact O-CG1 3.27Å; N619-T668 HydrophobicContact CB-CG2 3.65Å; N619-A672 HydrophobicContact CB-CB 4.4Å; N619-R675 PolarHBondContact OD1-NH1 3.25Å |
| 620 | D | 92.2 | Very high | 90.4 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 14% | 0.139 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -42.4 | 176.4 | -82.4 | 12.7 | 0 | 0 | 0 | 112.4 | R559 Q616 L617 L618 S622 I623 | R559-D620 IonicContact CZ-OD2 2.98Å; R559-D620 IonicContact NE-OD2 2.82Å; R559-D620 IonicContact NH2-OD2 2.99Å; R559-D620 PolarHBondContact NH2-OD2 3.33Å; Q616-D620 PolarHBondContact NE2-OD1 3.46Å; Q616-D620 WeakPolarHBondContact O-CB 3.17Å; Q616-D620 PolarHBondContact O-N 2.87Å; L617-D620 PolarHBondContact O-N 2.78Å; L618-D620 PolarHBondContact O-N 3.42Å; D620-S622 PolarHBondContact O-N 3.48Å; D620-I623 PolarHBondContact O-N 3.22Å |
| 621 | L | 91.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -31.7 | 173.7 | -73.3 | 172.4 | 0 | 0 | 0 | 112.3 | R559 I563 L590 F593 I597 L617 L618 I623 L631 | R559-L621 HydrophobicContact CG-CD2 4.04Å; I563-L621 HydrophobicContact CG2-CD2 4.37Å; L590-L621 HydrophobicContact CD2-CD2 3.98Å; F593-L621 HydrophobicContact CB-CD1 4.06Å; F593-L621 HydrophobicContact CD1-CD1 3.84Å; F593-L621 HydrophobicContact CD1-CD2 4.4Å; F593-L621 HydrophobicContact CG-CD1 4.31Å; I597-L621 HydrophobicContact CD1-CD1 4.05Å; L617-L621 HydrophobicContact CG-CD1 4.47Å; L617-L621 WeakPolarHBondContact O-CG 3.38Å; L617-L621 PolarHBondContact O-N 3.24Å; L618-L621 PolarHBondContact O-N 3.27Å; L621-I623 VanDerWaalsContact C-N 3.26Å; L621-I623 PolarHBondContact O-N 3.43Å; L621-L631 HydrophobicContact CB-CD1 3.96Å |
| 622 | S | 91.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.028 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -5.6 | 179.9 | 78.5 | 0 | 0 | 0 | 0 | 115 | L618 N619 D620 V628 R675 | L618-S622 WeakPolarHBondContact O-CB 3.48Å; L618-S622 PolarHBondContact O-N 3.32Å; N619-S622 PolarHBondContact O-N 3.35Å; N619-S622 PolarHBondContact O-OG 2.65Å; D620-S622 PolarHBondContact O-N 3.48Å; S622-V628 WeakPolarHBondContact O-CG2 3.27Å; S622-R675 VanDerWaalsContact O-CD 3.28Å; S622-R675 WeakPolarHBondContact O-CD 3.42Å; S622-R675 WeakPolarHBondContact OG-CD 3.39Å; S622-R675 PolarHBondContact OG-NH1 3.14Å |
| 623 | I | 89 | Confident | 90.6 | Very high | 105 Ų | 105 | 43.8 Ų | 43.8 | 54% | 0.538 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -35.8 | -178.1 | -68.5 | 163.4 | 0 | 0 | 0 | 112.1 | N619 D620 L621 | N619-I623 WeakPolarHBondContact O-CG1 3.27Å; D620-I623 PolarHBondContact O-N 3.22Å; L621-I623 VanDerWaalsContact C-N 3.26Å; L621-I623 PolarHBondContact O-N 3.43Å |
| 624 | G | 82.4 | Confident | 90.6 | Very high | 17 Ų | 17 | 41 Ų | 41 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | trans | -75.7 | 130.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S626 S627 V628 | G624-S626 PolarHBondContact O-N 3.18Å; G624-S627 PolarHBondContact O-N 3.19Å; G624-V628 VanDerWaalsContact O-CB 3.25Å; G624-V628 WeakPolarHBondContact O-CB 3.49Å; G624-V628 WeakPolarHBondContact O-CG2 3.46Å; G624-V628 PolarHBondContact O-N 3.4Å | ||
| 625 | Y | 81.4 | Confident | 90.5 | Very high | 147 Ų | 147 | 45.9 Ų | 45.9 | 58% | 0.576 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -66.1 | -43.8 | -171.8 | 175.5 | -101.3 | 0 | 0 | 0 | 112.7 | D565 R629 | D565-Y625 PolarHBondContact OD2-N 3.09Å; Y625-R629 VanDerWaalsContact CZ-CZ 3.42Å; Y625-R629 PolarHBondContact O-N 2.61Å; Y625-R629 PolarHBondContact OH-NE 2.81Å; Y625-R629 PolarHBondContact OH-NH1 3.17Å; Y625-R629 PolarHBondContact OH-NH2 2.98Å |
| 626 | S | 82.4 | Confident | 90.4 | Very high | 35 Ų | 35 | 46.9 Ų | 46.9 | 25% | 0.245 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.3 | -39.5 | 179 | 67.9 | 0 | 0 | 0 | 0 | 112.7 | D565 G624 K630 | D565-S626 WeakPolarHBondContact OD1-CB 3.22Å; D565-S626 PolarHBondContact OD1-N 2.76Å; D565-S626 PolarHBondContact OD1-OG 3.14Å; G624-S626 PolarHBondContact O-N 3.18Å; S626-K630 PolarHBondContact O-N 2.99Å |
| 627 | S | 85.2 | Confident | 90.4 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -47.9 | 179.9 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | G624 R629 K630 L631 | G624-S627 PolarHBondContact O-N 3.19Å; S627-R629 PolarHBondContact O-N 3.12Å; S627-K630 PolarHBondContact O-N 3.37Å; S627-K630 VanDerWaalsContact O-N 3.07Å; S627-L631 WeakPolarHBondContact O-CB 3.47Å; S627-L631 VanDerWaalsContact O-CG 3.24Å; S627-L631 WeakPolarHBondContact O-CG 3.47Å; S627-L631 PolarHBondContact O-N 3.48Å |
| 628 | V | 89.3 | Confident | 90.4 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.6 | -44.1 | 179.7 | 165.1 | 0 | 0 | 0 | 0 | 112.6 | S622 G624 K630 L631 V632 L676 V679 | S622-V628 WeakPolarHBondContact O-CG2 3.27Å; G624-V628 VanDerWaalsContact O-CB 3.25Å; G624-V628 WeakPolarHBondContact O-CB 3.49Å; G624-V628 WeakPolarHBondContact O-CG2 3.46Å; G624-V628 PolarHBondContact O-N 3.4Å; V628-K630 VanDerWaalsContact C-N 3.27Å; V628-K630 PolarHBondContact O-N 3.33Å; V628-L631 PolarHBondContact O-N 2.87Å; V628-V632 WeakPolarHBondContact O-CG2 3.48Å; V628-V632 PolarHBondContact O-N 3.16Å; V628-V632 VanDerWaalsContact O-N 3.08Å; V628-L676 HydrophobicContact CG1-CD2 4.38Å; V628-V679 HydrophobicContact CG1-CB 4.42Å; V628-V679 HydrophobicContact CG1-CG2 3.05Å |
| 629 | R | 89.5 | Confident | 90.3 | Very high | 135 Ų | 135 | 48.9 Ų | 48.9 | 51% | 0.509 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.3 | -28.6 | 176.7 | -77.7 | -176.7 | 164.8 | -157.7 | -7.7 | 114.3 | Y625 S627 V679 | Y625-R629 VanDerWaalsContact CZ-CZ 3.42Å; Y625-R629 PolarHBondContact O-N 2.61Å; Y625-R629 PolarHBondContact OH-NE 2.81Å; Y625-R629 PolarHBondContact OH-NH1 3.17Å; Y625-R629 PolarHBondContact OH-NH2 2.98Å; S627-R629 PolarHBondContact O-N 3.12Å; R629-V679 HydrophobicContact CG-CG1 4.03Å |
| 630 | K | 90.3 | Very high | 90.3 | Very high | 55 Ų | 55 | 47.9 Ų | 47.9 | 24% | 0.239 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -81 | -40.9 | 174.1 | -65.8 | 173.7 | -167.6 | 163.2 | 0 | 110.8 | E586 L590 S626 S627 V628 V632 K633 | E586-K630 IonicContact OE1-NZ 3.6Å; E586-K630 PolarHBondContact OE1-NZ 3.22Å; E586-K630 IonicContact OE2-NZ 3.31Å; E586-K630 PolarHBondContact OE2-NZ 2.99Å; L590-K630 HydrophobicContact CD1-CB 3.83Å; L590-K630 HydrophobicContact CD1-CD 4.04Å; S626-K630 PolarHBondContact O-N 2.99Å; S627-K630 PolarHBondContact O-N 3.37Å; S627-K630 VanDerWaalsContact O-N 3.07Å; V628-K630 VanDerWaalsContact C-N 3.27Å; V628-K630 PolarHBondContact O-N 3.33Å; K630-V632 PolarHBondContact O-N 3.4Å; K630-K633 PolarHBondContact O-N 2.93Å |
| 631 | L | 92.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.5 | -46.2 | -179.5 | -75.2 | 170.6 | 0 | 0 | 0 | 112.2 | L590 I594 L621 S627 V628 K633 L634 V637 L676 | L590-L631 HydrophobicContact CB-CD2 3.97Å; L590-L631 HydrophobicContact CD1-CD2 4.48Å; L590-L631 HydrophobicContact CD1-CG 4.42Å; L590-L631 HydrophobicContact CD2-CD2 4.11Å; L590-L631 HydrophobicContact CD2-CG 4.47Å; L590-L631 HydrophobicContact CG-CD2 4.42Å; I594-L631 HydrophobicContact CD1-CD2 3.81Å; I594-L631 HydrophobicContact CG1-CD2 3.53Å; L621-L631 HydrophobicContact CB-CD1 3.96Å; S627-L631 WeakPolarHBondContact O-CB 3.47Å; S627-L631 VanDerWaalsContact O-CG 3.24Å; S627-L631 WeakPolarHBondContact O-CG 3.47Å; S627-L631 PolarHBondContact O-N 3.48Å; V628-L631 PolarHBondContact O-N 2.87Å; L631-K633 PolarHBondContact O-N 3.28Å; L631-K633 VanDerWaalsContact O-N 3.16Å; L631-L634 HydrophobicContact CD2-CD1 3.93Å; L631-L634 VanDerWaalsContact O-CB 3.26Å; L631-L634 WeakPolarHBondContact O-CB 3.23Å; L631-L634 WeakPolarHBondContact O-CG 3.16Å; L631-L634 PolarHBondContact O-N 3.09Å; L631-V637 HydrophobicContact CB-CG2 4.38Å; L631-V637 VanDerWaalsContact O-CB 3.29Å; L631-V637 WeakPolarHBondContact O-CB 3.49Å; L631-V637 WeakPolarHBondContact O-CG2 3.42Å; L631-L676 HydrophobicContact CB-CD2 3.9Å; L631-L676 HydrophobicContact CD1-CD2 4.32Å |
| 632 | V | 92.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -25.4 | -178.1 | 178.6 | 0 | 0 | 0 | 0 | 112.5 | V628 K630 L634 Q638 L676 V679 D680 | V628-V632 WeakPolarHBondContact O-CG2 3.48Å; V628-V632 PolarHBondContact O-N 3.16Å; V628-V632 VanDerWaalsContact O-N 3.08Å; K630-V632 PolarHBondContact O-N 3.4Å; V632-L634 PolarHBondContact O-N 2.89Å; V632-Q638 PolarHBondContact O-NE2 3.26Å; V632-L676 HydrophobicContact CG2-CB 4.13Å; V632-L676 HydrophobicContact CG2-CD2 3.88Å; V632-L676 VanDerWaalsContact CG2-O 3.23Å; V632-L676 WeakPolarHBondContact CG2-O 3.1Å; V632-V679 HydrophobicContact CG2-CB 3.99Å; V632-V679 HydrophobicContact CG2-CG1 4.4Å; V632-V679 HydrophobicContact CG2-CG2 3.8Å; V632-D680 WeakPolarHBondContact CG1-OD2 3.48Å |
| 633 | K | 91.6 | Very high | 90.3 | Very high | 172 Ų | 172 | 53.1 Ų | 53.1 | 75% | 0.748 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -12.4 | 175.9 | -61.2 | -178.3 | -178.9 | -173.5 | 0 | 113.7 | K630 L631 | K630-K633 PolarHBondContact O-N 2.93Å; L631-K633 PolarHBondContact O-N 3.28Å; L631-K633 VanDerWaalsContact O-N 3.16Å |
| 634 | L | 93.9 | Very high | 90.4 | Very high | 19 Ų | 19 | 48.3 Ų | 48.3 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -76.8 | 131.6 | 179.7 | -58.2 | 176.1 | 0 | 0 | 0 | 110.1 | T587 L590 I594 L631 V632 A636 V637 Q638 | T587-L634 HydrophobicContact CG2-CD2 4Å; L590-L634 HydrophobicContact CB-CD1 4.35Å; I594-L634 HydrophobicContact CG1-CD1 4.13Å; L631-L634 HydrophobicContact CD2-CD1 3.93Å; L631-L634 VanDerWaalsContact O-CB 3.26Å; L631-L634 WeakPolarHBondContact O-CB 3.23Å; L631-L634 WeakPolarHBondContact O-CG 3.16Å; L631-L634 PolarHBondContact O-N 3.09Å; V632-L634 PolarHBondContact O-N 2.89Å; L634-A636 PolarHBondContact O-N 3.27Å; L634-V637 HydrophobicContact CB-CB 4.46Å; L634-V637 HydrophobicContact CB-CG2 4.2Å; L634-V637 HydrophobicContact CD1-CG2 4.48Å; L634-V637 PolarHBondContact O-N 3.46Å; L634-Q638 PolarHBondContact O-N 3.06Å; L634-Q638 VanDerWaalsContact O-N 3.1Å |
| 635 | S | 93.2 | Very high | 90.7 | Very high | 104 Ų | 104 | 49.4 Ų | 49.4 | 73% | 0.727 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -56.9 | -33.4 | 176.8 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | Q638 F639 | S635-Q638 PolarHBondContact O-N 3.47Å; S635-F639 WeakPolarHBondContact O-CB 3.5Å; S635-F639 PolarHBondContact O-N 2.96Å |
| 636 | A | 92.7 | Very high | 90.9 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 17% | 0.174 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.6 | -37.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I594 I598 L634 F639 M640 | I594-A636 HydrophobicContact CG2-CB 3.63Å; I598-A636 HydrophobicContact CD1-CB 3.78Å; L634-A636 PolarHBondContact O-N 3.27Å; A636-F639 WeakPolarHBondContact O-CB 3.45Å; A636-F639 PolarHBondContact O-N 3.19Å; A636-M640 WeakPolarHBondContact O-CG 3.36Å; A636-M640 PolarHBondContact O-N 3.22Å; A636-M640 VanDerWaalsContact O-N 3.12Å |
| 637 | V | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.4 | -41.3 | 175.3 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | I594 L631 L634 F639 M640 L641 L676 | I594-V637 HydrophobicContact CD1-CG2 4.04Å; I594-V637 HydrophobicContact CG1-CG2 3.87Å; I594-V637 HydrophobicContact CG2-CG2 3.95Å; L631-V637 HydrophobicContact CB-CG2 4.38Å; L631-V637 VanDerWaalsContact O-CB 3.29Å; L631-V637 WeakPolarHBondContact O-CB 3.49Å; L631-V637 WeakPolarHBondContact O-CG2 3.42Å; L634-V637 HydrophobicContact CB-CB 4.46Å; L634-V637 HydrophobicContact CB-CG2 4.2Å; L634-V637 HydrophobicContact CD1-CG2 4.48Å; L634-V637 PolarHBondContact O-N 3.46Å; V637-F639 VanDerWaalsContact C-N 3.26Å; V637-F639 PolarHBondContact O-N 3.36Å; V637-M640 WeakPolarHBondContact O-CB 3.45Å; V637-M640 PolarHBondContact O-N 3.01Å; V637-M640 VanDerWaalsContact O-N 3.08Å; V637-L641 HydrophobicContact CG1-CD1 4.22Å; V637-L641 HydrophobicContact CG1-CG 4.47Å; V637-L641 WeakPolarHBondContact O-CG 3.43Å; V637-L641 PolarHBondContact O-N 3.17Å; V637-L676 HydrophobicContact CG1-CB 4.48Å; V637-L676 HydrophobicContact CG1-CD1 3.98Å; V637-L676 HydrophobicContact CG1-CD2 4.36Å |
| 638 | Q | 93.6 | Very high | 91.1 | Very high | 55 Ų | 55 | 55 Ų | 55 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59 | -39.7 | 172.9 | -67.1 | -62.7 | -30.3 | 0 | 0 | 111.6 | V632 L634 S635 M640 L641 N642 | V632-Q638 PolarHBondContact O-NE2 3.26Å; L634-Q638 PolarHBondContact O-N 3.06Å; L634-Q638 VanDerWaalsContact O-N 3.1Å; S635-Q638 PolarHBondContact O-N 3.47Å; Q638-M640 PolarHBondContact O-N 2.89Å; Q638-L641 PolarHBondContact O-N 3Å; Q638-N642 WeakPolarHBondContact O-CB 3.02Å; Q638-N642 VanDerWaalsContact O-CG 3.29Å; Q638-N642 PolarHBondContact O-N 3.14Å; Q638-N642 VanDerWaalsContact O-N 3.1Å; Q638-N642 PolarHBondContact O-ND2 3.16Å |
| 639 | F | 92.9 | Very high | 91 | Very high | 84 Ų | 84 | 54.4 Ų | 54.4 | 37% | 0.368 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 172 | 175.2 | -93.4 | 0 | 0 | 0 | 111.7 | S635 A636 V637 L641 N642 N643 H648 | S635-F639 WeakPolarHBondContact O-CB 3.5Å; S635-F639 PolarHBondContact O-N 2.96Å; A636-F639 WeakPolarHBondContact O-CB 3.45Å; A636-F639 PolarHBondContact O-N 3.19Å; V637-F639 VanDerWaalsContact C-N 3.26Å; V637-F639 PolarHBondContact O-N 3.36Å; F639-L641 PolarHBondContact O-N 3.27Å; F639-N642 PolarHBondContact O-N 3.11Å; F639-N643 HydrophobicContact CD2-CB 4.48Å; F639-N643 WeakPolarHBondContact CD2-ND2 3.14Å; F639-N643 HydrophobicContact CE1-CB 4.28Å; F639-N643 HydrophobicContact CE2-CB 4.12Å; F639-N643 HydrophobicContact CZ-CB 4.01Å; F639-N643 VanDerWaalsContact O-CB 3.23Å; F639-N643 WeakPolarHBondContact O-CB 3.33Å; F639-N643 PolarHBondContact O-N 3.46Å; F639-N643 PolarHBondContact O-ND2 3.06Å; F639-H648 AromaticContact CZ-ND1 3.69Å |
| 640 | M | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -39.4 | 178.6 | -66.5 | 174.3 | 68.8 | 0 | 0 | 113.1 | I594 I598 L618 A636 V637 Q638 N642 N643 F649 F669 L673 | I594-M640 HydrophobicContact CG2-SD 4.25Å; I598-M640 HydrophobicContact CD1-CG 3.93Å; I598-M640 HydrophobicContact CD1-SD 3.88Å; I598-M640 HydrophobicContact CG1-CG 4.04Å; I598-M640 HydrophobicContact CG1-SD 3.7Å; L618-M640 HydrophobicContact CD1-CE 4.47Å; L618-M640 HydrophobicContact CD2-CE 3.75Å; A636-M640 WeakPolarHBondContact O-CG 3.36Å; A636-M640 PolarHBondContact O-N 3.22Å; A636-M640 VanDerWaalsContact O-N 3.12Å; V637-M640 WeakPolarHBondContact O-CB 3.45Å; V637-M640 PolarHBondContact O-N 3.01Å; V637-M640 VanDerWaalsContact O-N 3.08Å; Q638-M640 PolarHBondContact O-N 2.89Å; M640-N642 VanDerWaalsContact C-N 3.28Å; M640-N642 PolarHBondContact O-N 3.36Å; M640-N643 PolarHBondContact O-N 3.17Å; M640-F649 HydrophobicContact CG-CZ 4.01Å; M640-F669 HydrophobicContact CE-CE2 3.71Å; M640-F669 HydrophobicContact CE-CZ 4.41Å; M640-L673 HydrophobicContact CB-CD2 4.11Å; M640-L673 HydrophobicContact CE-CD2 4.25Å |
| 641 | L | 93 | Very high | 90.5 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.8 | -29.6 | 177.5 | -72.3 | 172.1 | 0 | 0 | 0 | 112.7 | V637 Q638 F639 H644 L673 L676 L677 F691 | V637-L641 HydrophobicContact CG1-CD1 4.22Å; V637-L641 HydrophobicContact CG1-CG 4.47Å; V637-L641 WeakPolarHBondContact O-CG 3.43Å; V637-L641 PolarHBondContact O-N 3.17Å; Q638-L641 PolarHBondContact O-N 3Å; F639-L641 PolarHBondContact O-N 3.27Å; L641-H644 PolarHBondContact O-CE1 3.31Å; L641-H644 PolarHBondContact O-ND1 3.36Å; L641-L673 HydrophobicContact CD2-CB 4.36Å; L641-L673 HydrophobicContact CD2-CD2 4.23Å; L641-L676 HydrophobicContact CD2-CB 4.37Å; L641-L677 HydrophobicContact CD2-CB 4.05Å; L641-F691 HydrophobicContact CD2-CE2 4.15Å; L641-F691 WeakPolarHBondContact O-CD2 3.49Å |
| 642 | N | 92.1 | Very high | 90.2 | Very high | 97 Ų | 97 | 49.3 Ų | 49.3 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -94.1 | -14.9 | -179.5 | -64.9 | -23.8 | 0 | 0 | 0 | 113.2 | Q638 F639 M640 | Q638-N642 WeakPolarHBondContact O-CB 3.02Å; Q638-N642 VanDerWaalsContact O-CG 3.29Å; Q638-N642 PolarHBondContact O-N 3.14Å; Q638-N642 VanDerWaalsContact O-N 3.1Å; Q638-N642 PolarHBondContact O-ND2 3.16Å; F639-N642 PolarHBondContact O-N 3.11Å; M640-N642 VanDerWaalsContact C-N 3.28Å; M640-N642 PolarHBondContact O-N 3.36Å |
| 643 | N | 90.8 | Very high | 89.5 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 24% | 0.241 | 27% | 0.267 | C | S | . | . | trans | -136.5 | 48.7 | -167.8 | -60.6 | -85.4 | 0 | 0 | 0 | 112.9 | F639 M640 T645 H648 F649 | F639-N643 HydrophobicContact CD2-CB 4.48Å; F639-N643 WeakPolarHBondContact CD2-ND2 3.14Å; F639-N643 HydrophobicContact CE1-CB 4.28Å; F639-N643 HydrophobicContact CE2-CB 4.12Å; F639-N643 HydrophobicContact CZ-CB 4.01Å; F639-N643 VanDerWaalsContact O-CB 3.23Å; F639-N643 WeakPolarHBondContact O-CB 3.33Å; F639-N643 PolarHBondContact O-N 3.46Å; F639-N643 PolarHBondContact O-ND2 3.06Å; M640-N643 PolarHBondContact O-N 3.17Å; N643-T645 PolarHBondContact O-N 3.37Å; N643-H648 WeakPolarHBondContact O-CB 3.46Å; N643-H648 PolarHBondContact OD1-NE2 3.26Å; N643-F649 WeakPolarHBondContact O-CE2 3.24Å | ||
| 644 | H | 91.5 | Very high | 88.4 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | trans | -91.5 | 41.3 | -176.3 | 48.5 | -72.7 | 0 | 0 | 0 | 114.5 | L641 L652 F669 Y670 L673 F691 | L641-H644 PolarHBondContact O-CE1 3.31Å; L641-H644 PolarHBondContact O-ND1 3.36Å; H644-L652 WeakPolarHBondContact O-CD1 3.36Å; H644-F669 HydrophobicContact CB-CE1 4.03Å; H644-F669 HydrophobicContact CB-CZ 4.43Å; H644-Y670 AromaticContact CD2-CE1 3.66Å; H644-Y670 AromaticContact CD2-CZ 3.95Å; H644-Y670 PolarHBondContact CD2-OH 3.11Å; H644-Y670 PolarHBondContact O-OH 3.37Å; H644-Y670 VanDerWaalsContact O-OH 3.12Å; H644-L673 HydrophobicContact CB-CD1 3.77Å; H644-F691 AromaticContact CE1-CD2 3.53Å; H644-F691 AromaticContact CE1-CE2 3.71Å; H644-F691 PolarHBondContact CE1-O 3.07Å; H644-F691 AromaticContact NE2-CD2 3.89Å; H644-F691 AromaticContact NE2-CE2 3.84Å; H644-F691 PolarHBondContact NE2-O 2.84Å | ||
| 645 | T | 89.3 | Confident | 86.9 | Confident | 41 Ų | 41 | 47.9 Ų | 47.9 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -110.5 | 172.5 | 179.5 | 69.9 | 0 | 0 | 0 | 0 | 112.4 | N643 E647 H648 F649 P694 | N643-T645 PolarHBondContact O-N 3.37Å; T645-E647 PolarHBondContact O-N 2.9Å; T645-E647 PolarHBondContact OG1-N 3.07Å; T645-H648 PolarHBondContact O-N 3.11Å; T645-F649 PolarHBondContact O-N 3.5Å; T645-P694 HydrophobicContact CG2-CB 3.94Å; T645-P694 HydrophobicContact CG2-CG 4.03Å |
| 646 | S | 86.4 | Confident | 85 | Confident | 66 Ų | 66 | 49.3 Ų | 49.3 | 46% | 0.462 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.7 | 176.8 | 56.2 | 0 | 0 | 0 | 0 | 114.5 | H648 F649 | S646-H648 VanDerWaalsContact C-N 3.29Å; S646-F649 WeakPolarHBondContact CA-O 3.46Å |
| 647 | E | 85.6 | Confident | 83.2 | Confident | 167 Ų | 167 | 57 Ų | 57 | 78% | 0.78 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -35.1 | 175.8 | -61.5 | -174.3 | 166.4 | 0 | 0 | 111.5 | T645 | T645-E647 PolarHBondContact O-N 2.9Å; T645-E647 PolarHBondContact OG1-N 3.07Å |
| 648 | H | 85.8 | Confident | 81.5 | Confident | 70 Ų | 70 | 58.3 Ų | 58.3 | 32% | 0.324 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -32.8 | -179.7 | -59.2 | -73.5 | 0 | 0 | 0 | 112.3 | F639 N643 T645 S646 | F639-H648 AromaticContact CZ-ND1 3.69Å; N643-H648 WeakPolarHBondContact O-CB 3.46Å; N643-H648 PolarHBondContact OD1-NE2 3.26Å; T645-H648 PolarHBondContact O-N 3.11Å; S646-H648 VanDerWaalsContact C-N 3.29Å |
| 649 | F | 87.8 | Confident | 80 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.009 | 32% | 0.319 | C | S | . | . | trans | -125.2 | 95.2 | -176.9 | -59.4 | -63.8 | 0 | 0 | 0 | 110.9 | L601 M640 N643 T645 S646 F651 L652 F669 | L601-F649 HydrophobicContact CB-CD1 3.76Å; L601-F649 HydrophobicContact CB-CE1 4.11Å; L601-F649 HydrophobicContact CD1-CD1 4.18Å; L601-F649 HydrophobicContact CD1-CE1 4.15Å; M640-F649 HydrophobicContact CG-CZ 4.01Å; N643-F649 WeakPolarHBondContact O-CE2 3.24Å; T645-F649 PolarHBondContact O-N 3.5Å; S646-F649 WeakPolarHBondContact CA-O 3.46Å; F649-F651 HydrophobicContact CB-CD1 3.96Å; F649-F651 HydrophobicContact CB-CE1 3.69Å; F649-F651 HydrophobicContact CD1-CE1 4.43Å; F649-F651 HydrophobicContact CG-CE1 4.23Å; F649-F651 PolarHBondContact O-N 3.41Å; F649-L652 HydrophobicContact CB-CD1 3.85Å; F649-L652 HydrophobicContact CB-CG 4.01Å; F649-L652 HydrophobicContact CD2-CD1 4.27Å; F649-L652 WeakPolarHBondContact O-CB 3.32Å; F649-L652 PolarHBondContact O-N 3.46Å; F649-F669 HydrophobicContact CD2-CE1 4.45Å; F649-F669 AromaticContact CD2-CZ 3.91Å; F649-F669 HydrophobicContact CD2-CZ 3.91Å; F649-F669 AromaticContact CE2-CZ 3.9Å; F649-F669 HydrophobicContact CE2-CZ 3.9Å; F649-F669 HydrophobicContact CG-CZ 4.45Å; F649-F669 HydrophobicContact CZ-CZ 4.45Å | ||
| 650 | S | 83.8 | Confident | 78.6 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 33% | 0.329 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -57.3 | -27.9 | -172.7 | 61.7 | 0 | 0 | 0 | 0 | 114.8 | L652 G653 | S650-L652 PolarHBondContact O-N 3.13Å; S650-G653 PolarHBondContact O-N 2.89Å |
| 651 | F | 84.8 | Confident | 76.9 | Confident | 30 Ų | 30 | 62.3 Ų | 62.3 | 13% | 0.132 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -67.6 | -15.5 | 176.5 | 81.9 | -88.3 | 0 | 0 | 0 | 113.7 | L601 G605 T611 L615 F649 G653 C665 F669 | L601-F651 HydrophobicContact CB-CE1 4.38Å; L601-F651 HydrophobicContact CD1-CE1 4.22Å; L601-F651 HydrophobicContact CD2-CD1 4.1Å; L601-F651 HydrophobicContact CD2-CE1 3.76Å; L601-F651 HydrophobicContact CD2-CZ 4.44Å; L601-F651 HydrophobicContact CG-CE1 4.33Å; G605-F651 WeakPolarHBondContact O-CB 3.42Å; T611-F651 HydrophobicContact CG2-CB 4.27Å; T611-F651 HydrophobicContact CG2-CD1 4.43Å; T611-F651 HydrophobicContact CG2-CD2 4.23Å; T611-F651 HydrophobicContact CG2-CG 4.06Å; L615-F651 HydrophobicContact CD1-CE2 3.92Å; L615-F651 HydrophobicContact CD1-CZ 4.1Å; L615-F651 HydrophobicContact CD2-CZ 4.26Å; F649-F651 HydrophobicContact CB-CD1 3.96Å; F649-F651 HydrophobicContact CB-CE1 3.69Å; F649-F651 HydrophobicContact CD1-CE1 4.43Å; F649-F651 HydrophobicContact CG-CE1 4.23Å; F649-F651 PolarHBondContact O-N 3.41Å; F651-G653 VanDerWaalsContact C-N 3.33Å; F651-C665 HydrophobicContact CD2-CB 4.37Å; F651-C665 HydrophobicContact CE2-CB 4.47Å; F651-F669 HydrophobicContact CE2-CB 4.31Å; F651-F669 HydrophobicContact CE2-CG 4.47Å; F651-F669 HydrophobicContact CZ-CB 4.05Å; F651-F669 HydrophobicContact CZ-CD1 4.03Å; F651-F669 HydrophobicContact CZ-CD2 4.05Å; F651-F669 HydrophobicContact CZ-CE1 4.45Å; F651-F669 HydrophobicContact CZ-CE2 4.47Å; F651-F669 AromaticContact CZ-CG 3.79Å; F651-F669 HydrophobicContact CZ-CG 3.79Å |
| 652 | L | 85.2 | Confident | 75.6 | Confident | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -83.5 | -9 | 171.8 | -58.9 | 179.4 | 0 | 0 | 0 | 112.6 | H644 F649 S650 R666 F669 Y670 | H644-L652 WeakPolarHBondContact O-CD1 3.36Å; F649-L652 HydrophobicContact CB-CD1 3.85Å; F649-L652 HydrophobicContact CB-CG 4.01Å; F649-L652 HydrophobicContact CD2-CD1 4.27Å; F649-L652 WeakPolarHBondContact O-CB 3.32Å; F649-L652 PolarHBondContact O-N 3.46Å; S650-L652 PolarHBondContact O-N 3.13Å; L652-R666 HydrophobicContact CD2-CB 4.44Å; L652-R666 HydrophobicContact CD2-CG 3.95Å; L652-R666 PolarHBondContact O-NH1 3.32Å; L652-F669 HydrophobicContact CD1-CD1 4.35Å; L652-F669 HydrophobicContact CD1-CE1 3.9Å; L652-F669 HydrophobicContact CD2-CD1 4.21Å; L652-Y670 HydrophobicContact CD2-CE2 4.27Å |
| 653 | G | 78 | Confident | 74.9 | Confident | 12 Ų | 12 | 60.8 Ų | 60.8 | 12% | 0.124 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -71.1 | 151.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S650 F651 N655 | S650-G653 PolarHBondContact O-N 2.89Å; F651-G653 VanDerWaalsContact C-N 3.33Å; G653-N655 PolarHBondContact O-N 3.37Å |
| 654 | I | 67.8 | Low | 74.4 | Confident | 67 Ų | 67 | 66 Ų | 66 | 34% | 0.344 | 34% | 0.343 | S | S | . | . | trans | -95.9 | 80.2 | 175.5 | -59.1 | 165.1 | 0 | 0 | 0 | 107.9 | R718 T719 | I654-R718 HydrophobicContact CG2-CB 3.54Å; I654-R718 HydrophobicContact CG2-CG 4.29Å; I654-T719 HydrophobicContact CD1-CG2 4.16Å; I654-T719 VanDerWaalsContact CD1-OG1 3.26Å; I654-T719 WeakPolarHBondContact CD1-OG1 3.33Å | ||
| 655 | N | 63 | Low | 74.2 | Confident | 84 Ų | 84 | 66.4 Ų | 66.4 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | trans | -91.6 | 144 | 179.8 | -70 | -23.3 | 0 | 0 | 0 | 111 | G653 Q657 S658 | G653-N655 PolarHBondContact O-N 3.37Å; N655-Q657 PolarHBondContact O-N 2.83Å; N655-S658 PolarHBondContact O-N 3.25Å; N655-S658 PolarHBondContact O-OG 3.33Å | ||
| 656 | N | 53.7 | Low | 74.3 | Confident | 134 Ų | 134 | 65.5 Ų | 65.5 | 72% | 0.717 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -18.5 | 180 | -83.9 | -21.7 | 0 | 0 | 0 | 114.9 | R718 | N656-R718 PolarHBondContact O-NH2 2.85Å; N656-R718 PolarHBondContact OD1-NH1 3.04Å |
| 657 | Q | 54.5 | Low | 74.6 | Confident | 184 Ų | 184 | 63.1 Ų | 63.1 | 86% | 0.86 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -7.3 | 177.1 | -65.5 | 174.1 | -12 | 0 | 0 | 113.8 | N655 | N655-Q657 PolarHBondContact O-N 2.83Š|
| 658 | S | 58.8 | Low | 75 | Confident | 26 Ų | 26 | 57 Ų | 57 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | trans | -78.8 | 125.2 | 179.9 | 62.3 | 0 | 0 | 0 | 0 | 110.9 | N655 | N655-S658 PolarHBondContact O-N 3.25Å; N655-S658 PolarHBondContact O-OG 3.33Å | ||
| 659 | N | 61.6 | Low | 75.4 | Confident | 102 Ų | 102 | 53.7 Ų | 53.7 | 55% | 0.545 | 28% | 0.28 | S | S | . | . | trans | -76.5 | 143.9 | 172.5 | -70.1 | -37.6 | 0 | 0 | 0 | 109.1 | T661 D662 | N659-T661 VanDerWaalsContact CB-OG1 3.26Å; N659-T661 WeakPolarHBondContact CB-OG1 3.46Å; N659-T661 PolarHBondContact O-N 2.92Å; N659-D662 PolarHBondContact N-OD2 3.07Å; N659-D662 PolarHBondContact O-N 3.27Å | ||
| 660 | L | 64.1 | Low | 75.8 | Confident | 45 Ų | 45 | 53.9 Ų | 53.9 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -18.2 | 176.1 | -70.7 | 169.6 | 0 | 0 | 0 | 112.6 | M663 R718 V721 A767 | L660-M663 HydrophobicContact CD2-CE 4.24Å; L660-M663 HydrophobicContact CD2-SD 4.03Å; L660-R718 HydrophobicContact CD2-CB 4.43Å; L660-R718 HydrophobicContact CD2-CG 3.78Å; L660-V721 HydrophobicContact CD2-CB 4.03Å; L660-V721 HydrophobicContact CD2-CG1 4.11Å; L660-V721 HydrophobicContact CD2-CG2 4.18Å; L660-A767 HydrophobicContact CB-CB 4.48Å; L660-A767 HydrophobicContact CD1-CB 3.74Å |
| 661 | T | 57.7 | Low | 76.4 | Confident | 77 Ų | 77 | 52.1 Ų | 52.1 | 47% | 0.472 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -34.1 | 174.4 | 45.2 | 0 | 0 | 0 | 0 | 113.3 | N659 M663 R664 | N659-T661 VanDerWaalsContact CB-OG1 3.26Å; N659-T661 WeakPolarHBondContact CB-OG1 3.46Å; N659-T661 PolarHBondContact O-N 2.92Å; T661-M663 PolarHBondContact O-N 3.13Å; T661-R664 WeakPolarHBondContact O-CG 3.43Å; T661-R664 PolarHBondContact O-N 3.4Å |
| 662 | D | 64.7 | Low | 76.9 | Confident | 58 Ų | 58 | 50.7 Ų | 50.7 | 31% | 0.31 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -16.2 | -170 | -47.4 | -13.5 | 0 | 0 | 0 | 110.6 | N659 R664 | N659-D662 PolarHBondContact N-OD2 3.07Å; N659-D662 PolarHBondContact O-N 3.27Å; D662-R664 PolarHBondContact O-N 3.01Å; D662-R664 VanDerWaalsContact O-N 3.07Å |
| 663 | M | 78.5 | Confident | 77.4 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -0.7 | 176.1 | -62.4 | -174 | 174.7 | 0 | 0 | 114.2 | L660 T661 C665 R666 R718 V721 | L660-M663 HydrophobicContact CD2-CE 4.24Å; L660-M663 HydrophobicContact CD2-SD 4.03Å; T661-M663 PolarHBondContact O-N 3.13Å; M663-C665 VanDerWaalsContact C-N 3.28Å; M663-C665 PolarHBondContact O-N 2.88Å; M663-R666 WeakPolarHBondContact O-CB 3.39Å; M663-R666 WeakPolarHBondContact O-CG 3.34Å; M663-R666 PolarHBondContact O-N 3.45Å; M663-R718 HydrophobicContact CE-CB 4Å; M663-R718 HydrophobicContact CE-CG 4.1Å; M663-V721 HydrophobicContact SD-CB 4.29Å; M663-V721 HydrophobicContact SD-CG1 3.88Å |
| 664 | R | 80.9 | Confident | 78.2 | Confident | 155 Ų | 155 | 49.8 Ų | 49.8 | 59% | 0.585 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.3 | -35.9 | 175.3 | -73 | 177.4 | -168 | -175.7 | 8 | 112.4 | T661 D662 R666 T667 | T661-R664 WeakPolarHBondContact O-CG 3.43Å; T661-R664 PolarHBondContact O-N 3.4Å; D662-R664 PolarHBondContact O-N 3.01Å; D662-R664 VanDerWaalsContact O-N 3.07Å; R664-R666 PolarHBondContact O-N 3.2Å; R664-T667 PolarHBondContact O-N 3.49Å; R664-T667 VanDerWaalsContact O-N 3.1Å |
| 665 | C | 87 | Confident | 79.5 | Confident | 10 Ų | 10 | 49 Ų | 49 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -52.1 | -36.5 | 176.3 | -73.2 | 0 | 0 | 0 | 0 | 112.3 | T611 L615 F651 M663 T667 T668 F669 | T611-C665 HydrophobicContact CG2-CB 4.28Å; L615-C665 HydrophobicContact CD1-CB 3.54Å; L615-C665 WeakPolarHBondContact CD1-O 3.47Å; F651-C665 HydrophobicContact CD2-CB 4.37Å; F651-C665 HydrophobicContact CE2-CB 4.47Å; M663-C665 VanDerWaalsContact C-N 3.28Å; M663-C665 PolarHBondContact O-N 2.88Å; C665-T667 VanDerWaalsContact C-N 3.35Å; C665-T667 PolarHBondContact O-N 3.29Å; C665-T668 PolarHBondContact O-N 2.72Å; C665-T668 VanDerWaalsContact O-N 3.15Å; C665-F669 PolarHBondContact O-N 3.16Å |
| 666 | R | 91.3 | Very high | 81 | Confident | 22 Ų | 22 | 45 Ų | 45 | 8% | 0.083 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -42.2 | 178.6 | -54.7 | 177.4 | 68.6 | 117.8 | -0.5 | 113.1 | L652 M663 R664 T668 F669 Y670 G722 R725 D726 | L652-R666 HydrophobicContact CD2-CB 4.44Å; L652-R666 HydrophobicContact CD2-CG 3.95Å; L652-R666 PolarHBondContact O-NH1 3.32Å; M663-R666 WeakPolarHBondContact O-CB 3.39Å; M663-R666 WeakPolarHBondContact O-CG 3.34Å; M663-R666 PolarHBondContact O-N 3.45Å; R664-R666 PolarHBondContact O-N 3.2Å; R666-T668 VanDerWaalsContact C-N 3.32Å; R666-T668 PolarHBondContact O-N 2.91Å; R666-F669 PolarHBondContact O-N 3.47Å; R666-Y670 WeakPolarHBondContact O-CD2 3.49Å; R666-Y670 PolarHBondContact O-N 2.85Å; R666-G722 PolarHBondContact NE-O 3.23Å; R666-R725 HydrophobicContact CB-CB 4.3Å; R666-D726 VanDerWaalsContact CB-OD1 3.28Å; R666-D726 WeakPolarHBondContact CB-OD1 3.28Å; R666-D726 IonicContact CZ-OD1 2.81Å; R666-D726 IonicContact CZ-OD2 3.61Å; R666-D726 IonicContact NE-OD1 3.08Å; R666-D726 PolarHBondContact NE-OD1 3.41Å; R666-D726 IonicContact NE-OD2 3.89Å; R666-D726 IonicContact NH2-OD1 3.51Å; R666-D726 PolarHBondContact NH2-OD1 3.04Å; R666-D726 IonicContact NH2-OD2 2.68Å; R666-D726 PolarHBondContact NH2-OD2 3.33Å |
| 667 | T | 92.9 | Very high | 82.9 | Confident | 17 Ų | 17 | 38.8 Ų | 38.8 | 10% | 0.104 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 177.5 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | R664 C665 T671 R725 R728 G729 | R664-T667 PolarHBondContact O-N 3.49Å; R664-T667 VanDerWaalsContact O-N 3.1Å; C665-T667 VanDerWaalsContact C-N 3.35Å; C665-T667 PolarHBondContact O-N 3.29Å; T667-T671 WeakPolarHBondContact O-CB 3.48Å; T667-T671 PolarHBondContact O-N 3.35Å; T667-T671 PolarHBondContact O-OG1 3.5Å; T667-R725 WeakPolarHBondContact CA-O 3.35Å; T667-R725 WeakPolarHBondContact OG1-CB 3.22Å; T667-R725 VanDerWaalsContact OG1-CD 3.25Å; T667-R725 WeakPolarHBondContact OG1-CD 3.39Å; T667-R725 PolarHBondContact OG1-O 2.88Å; T667-R728 HydrophobicContact CG2-CG 4.49Å; T667-G729 WeakPolarHBondContact O-CA 3.36Å |
| 668 | T | 93.6 | Very high | 84.7 | Confident | 39 Ų | 39 | 32.4 Ų | 32.4 | 24% | 0.239 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.3 | -43.7 | 177.8 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | L615 N619 C665 R666 T671 A672 | L615-T668 HydrophobicContact CB-CG2 4.12Å; N619-T668 HydrophobicContact CB-CG2 3.65Å; C665-T668 PolarHBondContact O-N 2.72Å; C665-T668 VanDerWaalsContact O-N 3.15Å; R666-T668 VanDerWaalsContact C-N 3.32Å; R666-T668 PolarHBondContact O-N 2.91Å; T668-T671 WeakPolarHBondContact O-CB 3.47Å; T668-T671 PolarHBondContact O-N 3.35Å; T668-A672 PolarHBondContact O-N 3.2Å |
| 669 | F | 94.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.4 | -53.7 | 176.7 | -178.4 | -116.3 | 0 | 0 | 0 | 112.1 | L601 L615 L618 M640 H644 F649 F651 L652 C665 R666 T671 A672 L673 | L601-F669 HydrophobicContact CD1-CD2 4.44Å; L601-F669 HydrophobicContact CD1-CE2 4.1Å; L615-F669 HydrophobicContact CD1-CB 4.29Å; L615-F669 HydrophobicContact CD2-CB 3.79Å; L615-F669 HydrophobicContact CD2-CD2 3.49Å; L615-F669 VanDerWaalsContact CD2-CD2 3.49Å; L615-F669 HydrophobicContact CD2-CE2 4.46Å; L615-F669 HydrophobicContact CD2-CG 4.06Å; L618-F669 HydrophobicContact CD2-CD2 4.07Å; L618-F669 HydrophobicContact CD2-CE2 4.34Å; M640-F669 HydrophobicContact CE-CE2 3.71Å; M640-F669 HydrophobicContact CE-CZ 4.41Å; H644-F669 HydrophobicContact CB-CE1 4.03Å; H644-F669 HydrophobicContact CB-CZ 4.43Å; F649-F669 HydrophobicContact CD2-CE1 4.45Å; F649-F669 AromaticContact CD2-CZ 3.91Å; F649-F669 HydrophobicContact CD2-CZ 3.91Å; F649-F669 AromaticContact CE2-CZ 3.9Å; F649-F669 HydrophobicContact CE2-CZ 3.9Å; F649-F669 HydrophobicContact CG-CZ 4.45Å; F649-F669 HydrophobicContact CZ-CZ 4.45Å; F651-F669 HydrophobicContact CE2-CB 4.31Å; F651-F669 HydrophobicContact CE2-CG 4.47Å; F651-F669 HydrophobicContact CZ-CB 4.05Å; F651-F669 HydrophobicContact CZ-CD1 4.03Å; F651-F669 HydrophobicContact CZ-CD2 4.05Å; F651-F669 HydrophobicContact CZ-CE1 4.45Å; F651-F669 HydrophobicContact CZ-CE2 4.47Å; F651-F669 AromaticContact CZ-CG 3.79Å; F651-F669 HydrophobicContact CZ-CG 3.79Å; L652-F669 HydrophobicContact CD1-CD1 4.35Å; L652-F669 HydrophobicContact CD1-CE1 3.9Å; L652-F669 HydrophobicContact CD2-CD1 4.21Å; C665-F669 PolarHBondContact O-N 3.16Å; R666-F669 PolarHBondContact O-N 3.47Å; F669-T671 VanDerWaalsContact C-N 3.3Å; F669-T671 PolarHBondContact O-N 2.98Å; F669-A672 PolarHBondContact O-N 3.28Å; F669-A672 VanDerWaalsContact O-N 3.14Å; F669-L673 HydrophobicContact CD1-CD1 4.01Å; F669-L673 HydrophobicContact CE1-CD1 3.44Å; F669-L673 VanDerWaalsContact CE1-CD1 3.44Å; F669-L673 HydrophobicContact CE1-CG 4.29Å; F669-L673 HydrophobicContact CE2-CD1 4.14Å; F669-L673 HydrophobicContact CE2-CD2 4.47Å; F669-L673 HydrophobicContact CE2-CG 4.27Å; F669-L673 HydrophobicContact CZ-CD1 3.53Å; F669-L673 HydrophobicContact CZ-CG 4.15Å; F669-L673 PolarHBondContact O-N 2.86Å |
| 670 | Y | 95.8 | Very high | 87.4 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.7 | -23.8 | 179.9 | -83.5 | -80.7 | 0 | 0 | 0 | 113.8 | H644 L652 R666 G674 F691 L695 D726 I730 | H644-Y670 AromaticContact CD2-CE1 3.66Å; H644-Y670 AromaticContact CD2-CZ 3.95Å; H644-Y670 PolarHBondContact CD2-OH 3.11Å; H644-Y670 PolarHBondContact O-OH 3.37Å; H644-Y670 VanDerWaalsContact O-OH 3.12Å; L652-Y670 HydrophobicContact CD2-CE2 4.27Å; R666-Y670 WeakPolarHBondContact O-CD2 3.49Å; R666-Y670 PolarHBondContact O-N 2.85Å; Y670-G674 PolarHBondContact O-N 3.39Å; Y670-F691 HydrophobicContact CD1-CZ 4.36Å; Y670-F691 HydrophobicContact CE1-CZ 4.41Å; Y670-L695 HydrophobicContact CE1-CD1 4.49Å; Y670-D726 WeakPolarHBondContact CB-O 3.44Å; Y670-D726 HydrophobicContact CD1-CB 4.27Å; Y670-D726 HydrophobicContact CD2-CB 3.46Å; Y670-D726 VanDerWaalsContact CD2-CB 3.46Å; Y670-D726 VanDerWaalsContact CD2-CG 3.43Å; Y670-D726 VanDerWaalsContact CD2-OD1 3.29Å; Y670-D726 WeakPolarHBondContact CD2-OD1 3.46Å; Y670-D726 HydrophobicContact CE1-CB 4.29Å; Y670-D726 HydrophobicContact CE2-CB 3.52Å; Y670-D726 WeakPolarHBondContact CE2-OD1 3.4Å; Y670-D726 HydrophobicContact CG-CB 3.85Å; Y670-I730 HydrophobicContact CD1-CD1 3.85Å; Y670-I730 HydrophobicContact CD1-CG1 3.93Å; Y670-I730 HydrophobicContact CE1-CD1 4.35Å; Y670-I730 HydrophobicContact CG-CG1 4.48Å |
| 671 | T | 95.9 | Very high | 88.5 | Confident | 10 Ų | 10 | 31.2 Ų | 31.2 | 6% | 0.061 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.6 | -45.4 | 168.7 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | T667 T668 F669 R675 G729 F732 A733 | T667-T671 WeakPolarHBondContact O-CB 3.48Å; T667-T671 PolarHBondContact O-N 3.35Å; T667-T671 PolarHBondContact O-OG1 3.5Å; T668-T671 WeakPolarHBondContact O-CB 3.47Å; T668-T671 PolarHBondContact O-N 3.35Å; F669-T671 VanDerWaalsContact C-N 3.3Å; F669-T671 PolarHBondContact O-N 2.98Å; T671-R675 WeakPolarHBondContact O-CG 3.49Å; T671-R675 PolarHBondContact O-N 2.98Å; T671-G729 WeakPolarHBondContact CA-O 3.41Å; T671-G729 VanDerWaalsContact OG1-CA 3.28Å; T671-G729 WeakPolarHBondContact OG1-CA 3.42Å; T671-F732 HydrophobicContact CG2-CD1 3.64Å; T671-F732 HydrophobicContact CG2-CE1 4.21Å; T671-A733 WeakPolarHBondContact O-CB 3.2Å |
| 672 | A | 95.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.4 | -45.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L618 N619 T668 F669 G674 R675 L676 | L618-A672 HydrophobicContact CD2-CB 4Å; L618-A672 HydrophobicContact CG-CB 3.77Å; N619-A672 HydrophobicContact CB-CB 4.4Å; T668-A672 PolarHBondContact O-N 3.2Å; F669-A672 PolarHBondContact O-N 3.28Å; F669-A672 VanDerWaalsContact O-N 3.14Å; A672-G674 PolarHBondContact O-N 2.75Å; A672-R675 PolarHBondContact O-N 3.36Å; A672-L676 WeakPolarHBondContact O-CG 3.28Å; A672-L676 PolarHBondContact O-N 3.07Å |
| 673 | L | 95.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 175.5 | -68.9 | -171.5 | 0 | 0 | 0 | 112.1 | M640 L641 H644 F669 R675 L676 L677 F691 | M640-L673 HydrophobicContact CB-CD2 4.11Å; M640-L673 HydrophobicContact CE-CD2 4.25Å; L641-L673 HydrophobicContact CD2-CB 4.36Å; L641-L673 HydrophobicContact CD2-CD2 4.23Å; H644-L673 HydrophobicContact CB-CD1 3.77Å; F669-L673 HydrophobicContact CD1-CD1 4.01Å; F669-L673 HydrophobicContact CE1-CD1 3.44Å; F669-L673 VanDerWaalsContact CE1-CD1 3.44Å; F669-L673 HydrophobicContact CE1-CG 4.29Å; F669-L673 HydrophobicContact CE2-CD1 4.14Å; F669-L673 HydrophobicContact CE2-CD2 4.47Å; F669-L673 HydrophobicContact CE2-CG 4.27Å; F669-L673 HydrophobicContact CZ-CD1 3.53Å; F669-L673 HydrophobicContact CZ-CG 4.15Å; F669-L673 PolarHBondContact O-N 2.86Å; L673-R675 VanDerWaalsContact C-N 3.28Å; L673-R675 PolarHBondContact O-N 2.86Å; L673-L676 HydrophobicContact CD2-CD1 4.45Å; L673-L676 PolarHBondContact O-N 2.96Å; L673-L676 VanDerWaalsContact O-N 3.14Å; L673-L677 WeakPolarHBondContact O-CB 3.34Å; L673-L677 PolarHBondContact O-N 2.47Å; L673-F691 HydrophobicContact CB-CE2 4.45Å; L673-F691 HydrophobicContact CB-CZ 4.3Å |
| 674 | G | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -37.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y670 A672 M678 | Y670-G674 PolarHBondContact O-N 3.39Å; A672-G674 PolarHBondContact O-N 2.75Å; G674-M678 WeakPolarHBondContact O-CB 3.44Å; G674-M678 VanDerWaalsContact O-CG 3.3Å; G674-M678 WeakPolarHBondContact O-CG 3.31Å; G674-M678 PolarHBondContact O-N 3.36Å; G674-M678 VanDerWaalsContact O-N 3.13Å |
| 675 | R | 94.6 | Very high | 91.7 | Very high | 49 Ų | 49 | 35.9 Ų | 35.9 | 19% | 0.185 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.4 | -38.8 | 175.2 | -73.5 | -179.6 | -172.5 | 139.4 | -2.7 | 112.5 | N619 S622 T671 A672 L673 V679 A733 | N619-R675 PolarHBondContact OD1-NH1 3.25Å; S622-R675 VanDerWaalsContact O-CD 3.28Å; S622-R675 WeakPolarHBondContact O-CD 3.42Å; S622-R675 WeakPolarHBondContact OG-CD 3.39Å; S622-R675 PolarHBondContact OG-NH1 3.14Å; T671-R675 WeakPolarHBondContact O-CG 3.49Å; T671-R675 PolarHBondContact O-N 2.98Å; A672-R675 PolarHBondContact O-N 3.36Å; L673-R675 VanDerWaalsContact C-N 3.28Å; L673-R675 PolarHBondContact O-N 2.86Å; R675-V679 WeakPolarHBondContact O-CG2 3.46Å; R675-A733 HydrophobicContact CG-CB 3.94Å |
| 676 | L | 94.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67 | -43.7 | 176.5 | -70 | 166 | 0 | 0 | 0 | 111.2 | L618 V628 L631 V632 V637 L641 A672 L673 M678 V679 | L618-L676 HydrophobicContact CD1-CD1 4.48Å; V628-L676 HydrophobicContact CG1-CD2 4.38Å; L631-L676 HydrophobicContact CB-CD2 3.9Å; L631-L676 HydrophobicContact CD1-CD2 4.32Å; V632-L676 HydrophobicContact CG2-CB 4.13Å; V632-L676 HydrophobicContact CG2-CD2 3.88Å; V632-L676 VanDerWaalsContact CG2-O 3.23Å; V632-L676 WeakPolarHBondContact CG2-O 3.1Å; V637-L676 HydrophobicContact CG1-CB 4.48Å; V637-L676 HydrophobicContact CG1-CD1 3.98Å; V637-L676 HydrophobicContact CG1-CD2 4.36Å; L641-L676 HydrophobicContact CD2-CB 4.37Å; A672-L676 WeakPolarHBondContact O-CG 3.28Å; A672-L676 PolarHBondContact O-N 3.07Å; L673-L676 HydrophobicContact CD2-CD1 4.45Å; L673-L676 PolarHBondContact O-N 2.96Å; L673-L676 VanDerWaalsContact O-N 3.14Å; L676-M678 VanDerWaalsContact C-N 3.35Å; L676-M678 PolarHBondContact O-N 3.15Å; L676-V679 WeakPolarHBondContact O-CB 3.37Å; L676-V679 VanDerWaalsContact O-CG2 3.28Å; L676-V679 WeakPolarHBondContact O-CG2 3.41Å; L676-V679 PolarHBondContact O-N 3.24Å |
| 677 | L | 94.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.5 | -48 | 175.9 | -178.2 | 66 | 0 | 0 | 0 | 111.1 | L641 L673 V679 D680 L681 Q687 F691 F734 | L641-L677 HydrophobicContact CD2-CB 4.05Å; L673-L677 WeakPolarHBondContact O-CB 3.34Å; L673-L677 PolarHBondContact O-N 2.47Å; L677-V679 PolarHBondContact O-N 3.06Å; L677-D680 PolarHBondContact O-N 2.93Å; L677-L681 HydrophobicContact CD1-CD1 4.22Å; L677-L681 HydrophobicContact CD2-CD2 4.33Å; L677-L681 HydrophobicContact CG-CB 4.39Å; L677-L681 HydrophobicContact CG-CD1 4.24Å; L677-L681 HydrophobicContact CG-CD2 4.26Å; L677-L681 VanDerWaalsContact O-CB 3.29Å; L677-L681 WeakPolarHBondContact O-CB 3.25Å; L677-L681 PolarHBondContact O-N 2.59Å; L677-L681 VanDerWaalsContact O-N 3.08Å; L677-Q687 HydrophobicContact CD1-CG 4.31Å; L677-F691 HydrophobicContact CD1-CD2 4.45Å; L677-F691 HydrophobicContact CD2-CB 4.18Å; L677-F691 HydrophobicContact CD2-CD1 3.65Å; L677-F691 HydrophobicContact CD2-CD2 4.1Å; L677-F691 HydrophobicContact CD2-CE1 4.03Å; L677-F691 HydrophobicContact CD2-CE2 4.46Å; L677-F691 HydrophobicContact CD2-CG 3.7Å; L677-F691 HydrophobicContact CD2-CZ 4.42Å; L677-F734 HydrophobicContact CD2-CE1 4.46Å; L677-F734 HydrophobicContact CD2-CZ 4.24Å |
| 678 | M | 92.2 | Very high | 91.9 | Very high | 50 Ų | 50 | 41.7 Ų | 41.7 | 25% | 0.246 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.9 | -16.6 | -176.4 | -84.8 | -170.8 | 69.2 | 0 | 0 | 115.9 | G674 L676 F734 A736 S739 | G674-M678 WeakPolarHBondContact O-CB 3.44Å; G674-M678 VanDerWaalsContact O-CG 3.3Å; G674-M678 WeakPolarHBondContact O-CG 3.31Å; G674-M678 PolarHBondContact O-N 3.36Å; G674-M678 VanDerWaalsContact O-N 3.13Å; L676-M678 VanDerWaalsContact C-N 3.35Å; L676-M678 PolarHBondContact O-N 3.15Å; M678-F734 HydrophobicContact CG-CD1 3.8Å; M678-F734 HydrophobicContact CG-CE1 3.91Å; M678-F734 VanDerWaalsContact SD-CA 3.53Å; M678-F734 HydrophobicContact SD-CB 4.45Å; M678-F734 HydrophobicContact SD-CD1 3.71Å; M678-F734 HydrophobicContact SD-CE1 4.43Å; M678-F734 HydrophobicContact SD-CG 4.38Å; M678-A736 HydrophobicContact CE-CB 3.62Å; M678-S739 WeakPolarHBondContact CE-OG 3.27Å |
| 679 | V | 90.1 | Very high | 91.9 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 29% | 0.285 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65 | -45.5 | -178.1 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | V628 R629 V632 R675 L676 L677 | V628-V679 HydrophobicContact CG1-CB 4.42Å; V628-V679 HydrophobicContact CG1-CG2 3.05Å; R629-V679 HydrophobicContact CG-CG1 4.03Å; V632-V679 HydrophobicContact CG2-CB 3.99Å; V632-V679 HydrophobicContact CG2-CG1 4.4Å; V632-V679 HydrophobicContact CG2-CG2 3.8Å; R675-V679 WeakPolarHBondContact O-CG2 3.46Å; L676-V679 WeakPolarHBondContact O-CB 3.37Å; L676-V679 VanDerWaalsContact O-CG2 3.28Å; L676-V679 WeakPolarHBondContact O-CG2 3.41Å; L676-V679 PolarHBondContact O-N 3.24Å; L677-V679 PolarHBondContact O-N 3.06Å |
| 680 | D | 86.1 | Confident | 91.8 | Very high | 98 Ų | 98 | 52.3 Ų | 52.3 | 52% | 0.524 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -110.7 | -12 | -175.2 | -67.5 | -22.1 | 0 | 0 | 0 | 112 | V632 L677 G682 | V632-D680 WeakPolarHBondContact CG1-OD2 3.48Å; L677-D680 PolarHBondContact O-N 2.93Å; D680-G682 PolarHBondContact O-N 3.22Å |
| 681 | L | 87.3 | Confident | 91.8 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.7 | -47.6 | -176.4 | -173.5 | 67.5 | 0 | 0 | 0 | 113.7 | L677 E683 D684 Q687 Y688 F734 M742 | L677-L681 HydrophobicContact CD1-CD1 4.22Å; L677-L681 HydrophobicContact CD2-CD2 4.33Å; L677-L681 HydrophobicContact CG-CB 4.39Å; L677-L681 HydrophobicContact CG-CD1 4.24Å; L677-L681 HydrophobicContact CG-CD2 4.26Å; L677-L681 VanDerWaalsContact O-CB 3.29Å; L677-L681 WeakPolarHBondContact O-CB 3.25Å; L677-L681 PolarHBondContact O-N 2.59Å; L677-L681 VanDerWaalsContact O-N 3.08Å; L681-E683 PolarHBondContact O-N 3.44Å; L681-D684 VanDerWaalsContact O-CB 3.26Å; L681-D684 WeakPolarHBondContact O-CB 3.46Å; L681-D684 PolarHBondContact O-N 3.45Å; L681-Q687 HydrophobicContact CD1-CB 4.26Å; L681-Q687 HydrophobicContact CD1-CG 4.38Å; L681-Y688 HydrophobicContact CD2-CD2 4.47Å; L681-F734 HydrophobicContact CD2-CZ 4.44Å; L681-M742 HydrophobicContact CD2-SD 4.45Å |
| 682 | G | 85.2 | Confident | 91.8 | Very high | 45 Ų | 45 | 52 Ų | 52 | 46% | 0.464 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | -111 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | D680 | D680-G682 PolarHBondContact O-N 3.22Š|
| 683 | E | 84.3 | Confident | 91.8 | Very high | 161 Ų | 161 | 57.6 Ų | 57.6 | 75% | 0.752 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | 15.8 | 175.8 | -62.9 | -178.5 | 168 | 0 | 0 | 112.2 | L681 E685 | L681-E683 PolarHBondContact O-N 3.44Å; E683-E685 PolarHBondContact O-N 3.09Å; E683-E685 VanDerWaalsContact O-N 3.08Å |
| 684 | D | 90.3 | Very high | 91.7 | Very high | 76 Ų | 76 | 59.7 Ų | 59.7 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | trans | -75.7 | 93.5 | -179.4 | -167.1 | -30.7 | 0 | 0 | 0 | 111 | L681 D686 Q687 Y688 | L681-D684 VanDerWaalsContact O-CB 3.26Å; L681-D684 WeakPolarHBondContact O-CB 3.46Å; L681-D684 PolarHBondContact O-N 3.45Å; D684-D686 PolarHBondContact OD1-N 3.21Å; D684-Q687 HydrophobicContact CB-CB 4.15Å; D684-Q687 WeakPolarHBondContact OD1-CB 3.37Å; D684-Q687 PolarHBondContact OD1-N 3.46Å; D684-Y688 PolarHBondContact O-N 3.41Å | ||
| 685 | E | 89 | Confident | 91.6 | Very high | 116 Ų | 116 | 59.8 Ų | 59.8 | 54% | 0.542 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.2 | -35.3 | 178.6 | -71.9 | -178.3 | -177.6 | 0 | 0 | 112.6 | E683 Q687 Y688 E689 M742 | E683-E685 PolarHBondContact O-N 3.09Å; E683-E685 VanDerWaalsContact O-N 3.08Å; E685-Q687 PolarHBondContact O-N 3.05Å; E685-Y688 WeakPolarHBondContact O-CB 3.35Å; E685-Y688 PolarHBondContact O-N 2.83Å; E685-E689 WeakPolarHBondContact O-CG 3.46Å; E685-E689 PolarHBondContact O-N 3.31Å; E685-M742 HydrophobicContact CG-CE 3.87Å |
| 686 | D | 91.5 | Very high | 91.6 | Very high | 114 Ų | 114 | 58.6 Ų | 58.6 | 61% | 0.61 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.6 | -44.2 | -179.5 | -71 | -34.5 | 0 | 0 | 0 | 110.7 | D684 Y688 E689 Q690 | D684-D686 PolarHBondContact OD1-N 3.21Å; D686-Y688 VanDerWaalsContact C-N 3.31Å; D686-Y688 PolarHBondContact O-N 3.06Å; D686-E689 PolarHBondContact O-N 2.94Å; D686-Q690 VanDerWaalsContact O-CG 3.31Å; D686-Q690 WeakPolarHBondContact O-CG 3.45Å; D686-Q690 PolarHBondContact O-N 2.85Å |
| 687 | Q | 91.6 | Very high | 91.6 | Very high | 47 Ų | 47 | 61.2 Ų | 61.2 | 22% | 0.22 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 175.3 | -170.9 | -179.5 | 32 | 0 | 0 | 111.4 | L677 L681 D684 E685 F691 | L677-Q687 HydrophobicContact CD1-CG 4.31Å; L681-Q687 HydrophobicContact CD1-CB 4.26Å; L681-Q687 HydrophobicContact CD1-CG 4.38Å; D684-Q687 HydrophobicContact CB-CB 4.15Å; D684-Q687 WeakPolarHBondContact OD1-CB 3.37Å; D684-Q687 PolarHBondContact OD1-N 3.46Å; E685-Q687 PolarHBondContact O-N 3.05Å; Q687-F691 PolarHBondContact O-N 3.41Å; Q687-F691 VanDerWaalsContact O-N 3.15Å |
| 688 | Y | 93.8 | Very high | 91.4 | Very high | 11 Ų | 11 | 62.3 Ų | 62.3 | 4% | 0.043 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.3 | -49.9 | 175 | 177.5 | -106 | 0 | 0 | 0 | 111.8 | L681 D684 E685 D686 Q690 F691 M692 F734 M742 L743 W746 | L681-Y688 HydrophobicContact CD2-CD2 4.47Å; D684-Y688 PolarHBondContact O-N 3.41Å; E685-Y688 WeakPolarHBondContact O-CB 3.35Å; E685-Y688 PolarHBondContact O-N 2.83Å; D686-Y688 VanDerWaalsContact C-N 3.31Å; D686-Y688 PolarHBondContact O-N 3.06Å; Y688-Q690 PolarHBondContact O-N 3.42Å; Y688-F691 PolarHBondContact O-N 3.23Å; Y688-M692 HydrophobicContact CD1-CG 4.33Å; Y688-M692 HydrophobicContact CD2-CG 4.04Å; Y688-M692 HydrophobicContact CE1-CG 3.87Å; Y688-M692 HydrophobicContact CE2-CG 3.51Å; Y688-M692 HydrophobicContact CE2-SD 3.94Å; Y688-M692 HydrophobicContact CG-CG 4.4Å; Y688-M692 VanDerWaalsContact CZ-CG 3.42Å; Y688-M692 VanDerWaalsContact O-CG 3.31Å; Y688-M692 WeakPolarHBondContact O-CG 3.26Å; Y688-M692 PolarHBondContact O-N 3.02Å; Y688-F734 HydrophobicContact CD2-CE2 4.44Å; Y688-F734 HydrophobicContact CD2-CZ 4.47Å; Y688-F734 AromaticContact CE2-CE2 3.82Å; Y688-F734 HydrophobicContact CE2-CE2 3.82Å; Y688-F734 HydrophobicContact CE2-CZ 4.15Å; Y688-M742 HydrophobicContact CD1-CB 4.1Å; Y688-M742 HydrophobicContact CD2-CB 4.35Å; Y688-M742 HydrophobicContact CD2-SD 4.49Å; Y688-M742 HydrophobicContact CE1-CB 3.95Å; Y688-M742 HydrophobicContact CE2-CB 4.24Å; Y688-M742 HydrophobicContact CG-CB 4.3Å; Y688-M742 HydrophobicContact CG-SD 4.23Å; Y688-L743 VanDerWaalsContact OH-CA 3.29Å; Y688-L743 WeakPolarHBondContact OH-CA 3.22Å; Y688-W746 HydrophobicContact CE1-CB 4.1Å; Y688-W746 HydrophobicContact CE1-CG 4.44Å; Y688-W746 WeakPolarHBondContact OH-CB 3.44Å |
| 689 | E | 93.2 | Very high | 91.4 | Very high | 126 Ų | 126 | 60 Ų | 60 | 59% | 0.589 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.2 | -43.4 | -179.1 | -74.6 | -171.1 | 173.5 | 0 | 0 | 112 | E685 D686 F691 M692 L693 | E685-E689 WeakPolarHBondContact O-CG 3.46Å; E685-E689 PolarHBondContact O-N 3.31Å; D686-E689 PolarHBondContact O-N 2.94Å; E689-F691 VanDerWaalsContact C-N 3.33Å; E689-F691 PolarHBondContact O-N 3.25Å; E689-M692 PolarHBondContact O-N 2.68Å; E689-L693 PolarHBondContact O-N 3Å |
| 690 | Q | 93.4 | Very high | 91.6 | Very high | 135 Ų | 135 | 62.5 Ų | 62.5 | 63% | 0.631 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.7 | -43.5 | 175.9 | -72.9 | 177.4 | 21.6 | 0 | 0 | 111.9 | D686 Y688 M692 | D686-Q690 VanDerWaalsContact O-CG 3.31Å; D686-Q690 WeakPolarHBondContact O-CG 3.45Å; D686-Q690 PolarHBondContact O-N 2.85Å; Y688-Q690 PolarHBondContact O-N 3.42Å; Q690-M692 VanDerWaalsContact C-N 3.34Å; Q690-M692 PolarHBondContact O-N 3.17Å |
| 691 | F | 95.4 | Very high | 91.8 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.035 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65 | -37.7 | 177.2 | -179.2 | -94 | 0 | 0 | 0 | 112.4 | L641 H644 Y670 L673 L677 Q687 Y688 E689 P694 I730 | L641-F691 HydrophobicContact CD2-CE2 4.15Å; L641-F691 WeakPolarHBondContact O-CD2 3.49Å; H644-F691 AromaticContact CE1-CD2 3.53Å; H644-F691 AromaticContact CE1-CE2 3.71Å; H644-F691 PolarHBondContact CE1-O 3.07Å; H644-F691 AromaticContact NE2-CD2 3.89Å; H644-F691 AromaticContact NE2-CE2 3.84Å; H644-F691 PolarHBondContact NE2-O 2.84Å; Y670-F691 HydrophobicContact CD1-CZ 4.36Å; Y670-F691 HydrophobicContact CE1-CZ 4.41Å; L673-F691 HydrophobicContact CB-CE2 4.45Å; L673-F691 HydrophobicContact CB-CZ 4.3Å; L677-F691 HydrophobicContact CD1-CD2 4.45Å; L677-F691 HydrophobicContact CD2-CB 4.18Å; L677-F691 HydrophobicContact CD2-CD1 3.65Å; L677-F691 HydrophobicContact CD2-CD2 4.1Å; L677-F691 HydrophobicContact CD2-CE1 4.03Å; L677-F691 HydrophobicContact CD2-CE2 4.46Å; L677-F691 HydrophobicContact CD2-CG 3.7Å; L677-F691 HydrophobicContact CD2-CZ 4.42Å; Q687-F691 PolarHBondContact O-N 3.41Å; Q687-F691 VanDerWaalsContact O-N 3.15Å; Y688-F691 PolarHBondContact O-N 3.23Å; E689-F691 VanDerWaalsContact C-N 3.33Å; E689-F691 PolarHBondContact O-N 3.25Å; F691-P694 WeakPolarHBondContact O-CD 3.21Å; F691-I730 HydrophobicContact CE1-CD1 3.85Å; F691-I730 HydrophobicContact CE1-CG1 4.32Å |
| 692 | M | 95.6 | Very high | 92 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -82.2 | -16 | -177 | -66.5 | -61.5 | -66.3 | 0 | 0 | 114 | Y688 E689 Q690 P694 L695 T696 L727 I730 L743 W746 | Y688-M692 HydrophobicContact CD1-CG 4.33Å; Y688-M692 HydrophobicContact CD2-CG 4.04Å; Y688-M692 HydrophobicContact CE1-CG 3.87Å; Y688-M692 HydrophobicContact CE2-CG 3.51Å; Y688-M692 HydrophobicContact CE2-SD 3.94Å; Y688-M692 HydrophobicContact CG-CG 4.4Å; Y688-M692 VanDerWaalsContact CZ-CG 3.42Å; Y688-M692 VanDerWaalsContact O-CG 3.31Å; Y688-M692 WeakPolarHBondContact O-CG 3.26Å; Y688-M692 PolarHBondContact O-N 3.02Å; E689-M692 PolarHBondContact O-N 2.68Å; Q690-M692 VanDerWaalsContact C-N 3.34Å; Q690-M692 PolarHBondContact O-N 3.17Å; M692-P694 VanDerWaalsContact C-CD 3.49Å; M692-L695 HydrophobicContact CE-CD1 3.86Å; M692-L695 WeakPolarHBondContact O-CA 3.33Å; M692-L695 WeakPolarHBondContact O-CB 3.38Å; M692-L695 PolarHBondContact O-N 3.09Å; M692-L695 HydrophobicContact SD-CD1 3.87Å; M692-T696 PolarHBondContact O-N 2.97Å; M692-T696 PolarHBondContact O-OG1 3.09Å; M692-L727 HydrophobicContact CE-CD2 4.11Å; M692-I730 HydrophobicContact SD-CD1 4.14Å; M692-L743 HydrophobicContact CE-CD1 4.17Å; M692-W746 HydrophobicContact CE-CD2 3.58Å; M692-W746 HydrophobicContact CE-CE3 3.48Å; M692-W746 VanDerWaalsContact CE-CE3 3.48Å; M692-W746 HydrophobicContact CE-CG 4.36Å; M692-W746 HydrophobicContact CE-CH2 3.51Å; M692-W746 HydrophobicContact CE-CZ2 3.64Å; M692-W746 HydrophobicContact CE-CZ3 3.45Å; M692-W746 VanDerWaalsContact CE-CZ3 3.45Å |
| 693 | L | 94.6 | Very high | 92.2 | Very high | 118 Ų | 118 | 59 Ų | 59 | 62% | 0.618 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -49.8 | -45.1 | -176 | -172.9 | 70.9 | 0 | 0 | 0 | 114.5 | E689 L695 T696 A697 | E689-L693 PolarHBondContact O-N 3Å; L693-L695 VanDerWaalsContact C-N 3.29Å; L693-L695 PolarHBondContact O-N 3.47Å; L693-T696 WeakPolarHBondContact O-CB 3.18Å; L693-T696 PolarHBondContact O-N 3.38Å; L693-A697 PolarHBondContact O-N 3.24Å; L693-A697 VanDerWaalsContact O-N 3.08Å |
| 694 | P | 93.6 | Very high | 92.4 | Very high | 44 Ų | 44 | 57.6 Ų | 57.6 | 29% | 0.286 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.2 | -31.7 | 177.4 | -20.8 | 34.3 | 0 | 0 | 0 | 113.4 | T645 F691 M692 A698 | T645-P694 HydrophobicContact CG2-CB 3.94Å; T645-P694 HydrophobicContact CG2-CG 4.03Å; F691-P694 WeakPolarHBondContact O-CD 3.21Å; M692-P694 VanDerWaalsContact C-CD 3.49Å; P694-A698 PolarHBondContact O-N 3.4Å; P694-A698 VanDerWaalsContact O-N 3.13Å |
| 695 | L | 94 | Very high | 92.3 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -75.8 | -34.7 | 178.1 | -60.2 | 169.3 | 0 | 0 | 0 | 111.2 | Y670 M692 L693 A698 F699 L723 D726 L727 I730 W746 | Y670-L695 HydrophobicContact CE1-CD1 4.49Å; M692-L695 HydrophobicContact CE-CD1 3.86Å; M692-L695 WeakPolarHBondContact O-CA 3.33Å; M692-L695 WeakPolarHBondContact O-CB 3.38Å; M692-L695 PolarHBondContact O-N 3.09Å; M692-L695 HydrophobicContact SD-CD1 3.87Å; L693-L695 VanDerWaalsContact C-N 3.29Å; L693-L695 PolarHBondContact O-N 3.47Å; L695-A698 PolarHBondContact O-N 2.94Å; L695-F699 PolarHBondContact O-N 3.46Å; L695-L723 HydrophobicContact CB-CD1 4.1Å; L695-L723 HydrophobicContact CD2-CD1 3.81Å; L695-D726 HydrophobicContact CD2-CB 3.82Å; L695-L727 HydrophobicContact CD1-CD2 4.17Å; L695-I730 HydrophobicContact CD1-CD1 3.37Å; L695-W746 HydrophobicContact CB-CH2 4.03Å; L695-W746 HydrophobicContact CB-CZ2 4.16Å |
| 696 | T | 94.6 | Very high | 92.2 | Very high | 24 Ų | 24 | 51.7 Ų | 51.7 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.1 | -52.1 | 170.3 | -62.7 | 0 | 0 | 0 | 0 | 110.2 | M692 L693 A698 F699 E700 W746 Y751 | M692-T696 PolarHBondContact O-N 2.97Å; M692-T696 PolarHBondContact O-OG1 3.09Å; L693-T696 WeakPolarHBondContact O-CB 3.18Å; L693-T696 PolarHBondContact O-N 3.38Å; T696-A698 VanDerWaalsContact C-N 3.28Å; T696-A698 PolarHBondContact O-N 2.83Å; T696-F699 WeakPolarHBondContact O-CB 3.32Å; T696-F699 PolarHBondContact O-N 3.09Å; T696-F699 VanDerWaalsContact O-N 3.09Å; T696-E700 WeakPolarHBondContact O-CG 3.42Å; T696-E700 PolarHBondContact O-N 2.91Å; T696-W746 PolarHBondContact OG1-NE1 2.89Å; T696-W746 VanDerWaalsContact OG1-NE1 3.08Å; T696-Y751 WeakPolarHBondContact CG2-OH 3.27Å |
| 697 | A | 93.3 | Very high | 91.8 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 46% | 0.463 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.9 | -38.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L693 E700 A701 | L693-A697 PolarHBondContact O-N 3.24Å; L693-A697 VanDerWaalsContact O-N 3.08Å; A697-E700 PolarHBondContact O-N 3.21Å; A697-A701 WeakPolarHBondContact O-CB 3.35Å; A697-A701 PolarHBondContact O-N 3.28Å |
| 698 | A | 91.4 | Very high | 91.2 | Very high | 27 Ų | 27 | 52 Ų | 52 | 22% | 0.223 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P694 L695 T696 A701 V702 L723 | P694-A698 PolarHBondContact O-N 3.4Å; P694-A698 VanDerWaalsContact O-N 3.13Å; L695-A698 PolarHBondContact O-N 2.94Å; T696-A698 VanDerWaalsContact C-N 3.28Å; T696-A698 PolarHBondContact O-N 2.83Å; A698-A701 PolarHBondContact O-N 2.85Å; A698-V702 WeakPolarHBondContact O-CG2 3.4Å; A698-V702 PolarHBondContact O-N 3.48Å; A698-V702 VanDerWaalsContact O-N 3.15Å; A698-L723 HydrophobicContact CB-CD1 4.07Å; A698-L723 HydrophobicContact CB-CD2 4.34Å |
| 699 | F | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 173.3 | -100.4 | -57 | 0 | 0 | 0 | 112.1 | L695 T696 A701 V702 A703 L723 L727 W746 Y751 I754 L755 | L695-F699 PolarHBondContact O-N 3.46Å; T696-F699 WeakPolarHBondContact O-CB 3.32Å; T696-F699 PolarHBondContact O-N 3.09Å; T696-F699 VanDerWaalsContact O-N 3.09Å; F699-A701 VanDerWaalsContact C-N 3.32Å; F699-A701 PolarHBondContact O-N 3.33Å; F699-V702 PolarHBondContact O-N 3Å; F699-A703 WeakPolarHBondContact O-CB 3.11Å; F699-A703 PolarHBondContact O-N 2.91Å; F699-L723 HydrophobicContact CB-CD2 4.22Å; F699-L723 HydrophobicContact CD1-CD2 3.53Å; F699-L723 HydrophobicContact CD2-CD1 4.17Å; F699-L723 HydrophobicContact CD2-CD2 3.81Å; F699-L723 HydrophobicContact CD2-CG 4.38Å; F699-L723 HydrophobicContact CE1-CD2 3.7Å; F699-L723 HydrophobicContact CE2-CD1 4.24Å; F699-L723 HydrophobicContact CE2-CD2 4.01Å; F699-L723 HydrophobicContact CE2-CG 4.27Å; F699-L723 HydrophobicContact CG-CD2 3.57Å; F699-L723 HydrophobicContact CZ-CD2 3.94Å; F699-L723 HydrophobicContact CZ-CG 4.32Å; F699-L727 HydrophobicContact CD2-CD1 4.45Å; F699-L727 HydrophobicContact CE2-CD1 3.32Å; F699-L727 HydrophobicContact CE2-CG 4.5Å; F699-L727 HydrophobicContact CZ-CD1 3.46Å; F699-L727 VanDerWaalsContact CZ-CD1 3.46Å; F699-W746 AromaticContact CD2-CH2 3.44Å; F699-W746 HydrophobicContact CD2-CH2 3.44Å; F699-W746 VanDerWaalsContact CD2-CH2 3.44Å; F699-W746 HydrophobicContact CD2-CZ2 4.12Å; F699-W746 HydrophobicContact CD2-CZ3 4.09Å; F699-W746 AromaticContact CE2-CH2 3.48Å; F699-W746 HydrophobicContact CE2-CH2 3.48Å; F699-W746 VanDerWaalsContact CE2-CH2 3.48Å; F699-W746 AromaticContact CE2-CZ3 3.68Å; F699-W746 HydrophobicContact CE2-CZ3 3.68Å; F699-Y751 HydrophobicContact CB-CD1 3.64Å; F699-Y751 HydrophobicContact CB-CE1 3.68Å; F699-Y751 HydrophobicContact CB-CG 4.21Å; F699-Y751 AromaticContact CD1-CD1 3.97Å; F699-Y751 HydrophobicContact CD1-CD1 3.97Å; F699-Y751 HydrophobicContact CD1-CG 4.04Å; F699-Y751 HydrophobicContact CD2-CD1 4.12Å; F699-Y751 AromaticContact CD2-CD2 3.95Å; F699-Y751 HydrophobicContact CD2-CD2 3.95Å; F699-Y751 HydrophobicContact CD2-CE2 4.43Å; F699-Y751 AromaticContact CD2-CG 3.8Å; F699-Y751 HydrophobicContact CD2-CG 3.8Å; F699-Y751 HydrophobicContact CE1-CG 4.38Å; F699-Y751 HydrophobicContact CE2-CD2 4.25Å; F699-Y751 HydrophobicContact CE2-CG 4.11Å; F699-Y751 AromaticContact CG-CD1 3.65Å; F699-Y751 HydrophobicContact CG-CD1 3.65Å; F699-Y751 HydrophobicContact CG-CD2 4.33Å; F699-Y751 HydrophobicContact CG-CE1 4.16Å; F699-Y751 AromaticContact CG-CG 3.76Å; F699-Y751 HydrophobicContact CG-CG 3.76Å; F699-Y751 HydrophobicContact CZ-CG 4.41Å; F699-I754 HydrophobicContact CD1-CD1 3.93Å; F699-I754 HydrophobicContact CD1-CG2 4.5Å; F699-L755 HydrophobicContact CE1-CD2 4.09Å; F699-L755 HydrophobicContact CE1-CG 4.43Å; F699-L755 HydrophobicContact CZ-CD2 4.37Å |
| 700 | E | 93 | Very high | 88.3 | Confident | 100 Ų | 100 | 58.9 Ų | 58.9 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 178.1 | -71 | 178.6 | 175.2 | 0 | 0 | 111.5 | T696 A697 V702 A703 Q704 | T696-E700 WeakPolarHBondContact O-CG 3.42Å; T696-E700 PolarHBondContact O-N 2.91Å; A697-E700 PolarHBondContact O-N 3.21Å; E700-V702 PolarHBondContact O-N 3.29Å; E700-A703 WeakPolarHBondContact O-CB 3.2Å; E700-A703 PolarHBondContact O-N 3.45Å; E700-Q704 VanDerWaalsContact O-CG 3.31Å; E700-Q704 WeakPolarHBondContact O-CG 3.31Å; E700-Q704 PolarHBondContact O-N 3.47Å |
| 701 | A | 90.8 | Very high | 87.5 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 29% | 0.289 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | A697 A698 F699 Q704 M705 | A697-A701 WeakPolarHBondContact O-CB 3.35Å; A697-A701 PolarHBondContact O-N 3.28Å; A698-A701 PolarHBondContact O-N 2.85Å; F699-A701 VanDerWaalsContact C-N 3.32Å; F699-A701 PolarHBondContact O-N 3.33Å; A701-Q704 PolarHBondContact O-N 3.45Å; A701-M705 HydrophobicContact CB-CE 4.11Å; A701-M705 WeakPolarHBondContact O-CE 3.49Å; A701-M705 WeakPolarHBondContact O-CG 3.39Å; A701-M705 PolarHBondContact O-N 3.44Å |
| 702 | V | 90.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 175.8 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | A698 F699 E700 Q704 M705 F706 T719 L720 I754 | A698-V702 WeakPolarHBondContact O-CG2 3.4Å; A698-V702 PolarHBondContact O-N 3.48Å; A698-V702 VanDerWaalsContact O-N 3.15Å; F699-V702 PolarHBondContact O-N 3Å; E700-V702 PolarHBondContact O-N 3.29Å; V702-Q704 PolarHBondContact O-N 3.21Å; V702-M705 HydrophobicContact CG2-CE 4.37Å; V702-M705 PolarHBondContact O-N 3.02Å; V702-F706 HydrophobicContact CG1-CD2 4.16Å; V702-F706 HydrophobicContact CG1-CE1 4.48Å; V702-F706 HydrophobicContact CG1-CE2 3.75Å; V702-F706 HydrophobicContact CG1-CZ 3.93Å; V702-F706 PolarHBondContact O-N 2.92Å; V702-T719 HydrophobicContact CG2-CG2 3.61Å; V702-L720 HydrophobicContact CG1-CD1 4.38Å; V702-I754 HydrophobicContact CB-CG2 4.42Å; V702-I754 HydrophobicContact CG1-CG2 3.68Å |
| 703 | A | 89.5 | Confident | 86.4 | Confident | 38 Ų | 38 | 63 Ų | 63 | 31% | 0.314 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F699 E700 F706 S707 I754 | F699-A703 WeakPolarHBondContact O-CB 3.11Å; F699-A703 PolarHBondContact O-N 2.91Å; E700-A703 WeakPolarHBondContact O-CB 3.2Å; E700-A703 PolarHBondContact O-N 3.45Å; A703-F706 PolarHBondContact O-N 3.34Å; A703-S707 PolarHBondContact O-N 2.83Å; A703-S707 VanDerWaalsContact O-N 3.13Å; A703-I754 HydrophobicContact CB-CD1 3.72Å; A703-I754 HydrophobicContact CB-CG1 4.36Å |
| 704 | Q | 88.5 | Confident | 85.9 | Confident | 130 Ų | 130 | 63.4 Ų | 63.4 | 61% | 0.607 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 175.8 | -72.5 | 176.3 | 8.6 | 0 | 0 | 111.3 | E700 A701 V702 F706 S707 T708 | E700-Q704 VanDerWaalsContact O-CG 3.31Å; E700-Q704 WeakPolarHBondContact O-CG 3.31Å; E700-Q704 PolarHBondContact O-N 3.47Å; A701-Q704 PolarHBondContact O-N 3.45Å; V702-Q704 PolarHBondContact O-N 3.21Å; Q704-F706 VanDerWaalsContact C-N 3.34Å; Q704-F706 PolarHBondContact O-N 2.84Å; Q704-S707 PolarHBondContact O-N 3.4Å; Q704-S707 VanDerWaalsContact O-N 3.12Å; Q704-S707 PolarHBondContact O-OG 3.24Å; Q704-T708 PolarHBondContact O-N 3.38Å; Q704-T708 PolarHBondContact O-OG1 3.39Å |
| 705 | M | 88.8 | Confident | 85.6 | Confident | 32 Ų | 32 | 66 Ų | 66 | 16% | 0.158 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.1 | -46.1 | 175.8 | -73.9 | -177.5 | -108.1 | 0 | 0 | 111.7 | A701 V702 S707 T708 F711 A716 T719 | A701-M705 HydrophobicContact CB-CE 4.11Å; A701-M705 WeakPolarHBondContact O-CE 3.49Å; A701-M705 WeakPolarHBondContact O-CG 3.39Å; A701-M705 PolarHBondContact O-N 3.44Å; V702-M705 HydrophobicContact CG2-CE 4.37Å; V702-M705 PolarHBondContact O-N 3.02Å; M705-S707 VanDerWaalsContact C-N 3.27Å; M705-S707 PolarHBondContact O-N 3.41Å; M705-T708 PolarHBondContact O-N 2.97Å; M705-F711 HydrophobicContact CB-CB 4.14Å; M705-F711 HydrophobicContact CB-CD2 4.28Å; M705-F711 HydrophobicContact CB-CG 4.27Å; M705-F711 WeakPolarHBondContact O-CB 3.39Å; M705-F711 WeakPolarHBondContact O-CD1 3.49Å; M705-F711 WeakPolarHBondContact O-CG 3.3Å; M705-A716 HydrophobicContact CB-CB 4.46Å; M705-A716 HydrophobicContact SD-CB 3.73Å; M705-T719 HydrophobicContact CE-CG2 4.28Å |
| 706 | F | 86.2 | Confident | 85.3 | Confident | 36 Ų | 36 | 65.9 Ų | 65.9 | 16% | 0.158 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.2 | -22.6 | 178.2 | -71 | -18.6 | 0 | 0 | 0 | 114.8 | V702 A703 Q704 T708 F711 I754 R757 A758 L761 W762 | V702-F706 HydrophobicContact CG1-CD2 4.16Å; V702-F706 HydrophobicContact CG1-CE1 4.48Å; V702-F706 HydrophobicContact CG1-CE2 3.75Å; V702-F706 HydrophobicContact CG1-CZ 3.93Å; V702-F706 PolarHBondContact O-N 2.92Å; A703-F706 PolarHBondContact O-N 3.34Å; Q704-F706 VanDerWaalsContact C-N 3.34Å; Q704-F706 PolarHBondContact O-N 2.84Å; F706-T708 VanDerWaalsContact C-N 3.33Å; F706-F711 HydrophobicContact CD1-CE1 4.25Å; F706-F711 HydrophobicContact CD1-CE2 4.25Å; F706-F711 AromaticContact CD1-CZ 3.85Å; F706-F711 HydrophobicContact CD1-CZ 3.85Å; F706-F711 HydrophobicContact CE1-CE2 4.29Å; F706-F711 HydrophobicContact CE1-CZ 4.1Å; F706-I754 HydrophobicContact CD2-CG2 3.93Å; F706-I754 HydrophobicContact CE2-CG2 3.69Å; F706-R757 HydrophobicContact CD2-CB 4.27Å; F706-R757 HydrophobicContact CD2-CG 4.01Å; F706-R757 HydrophobicContact CE2-CB 4.32Å; F706-R757 HydrophobicContact CE2-CG 4.31Å; F706-R757 HydrophobicContact CG-CG 4.39Å; F706-A758 HydrophobicContact CE2-CB 4.21Å; F706-A758 HydrophobicContact CZ-CB 3.93Å; F706-L761 HydrophobicContact CD1-CD1 4.21Å; F706-L761 HydrophobicContact CE1-CD1 4.05Å; F706-W762 AromaticContact CE1-CH2 3.75Å; F706-W762 HydrophobicContact CE1-CH2 3.75Å; F706-W762 HydrophobicContact CE1-CZ2 4.16Å; F706-W762 HydrophobicContact CE1-CZ3 4.34Å; F706-W762 HydrophobicContact CZ-CH2 4.01Å; F706-W762 HydrophobicContact CZ-CZ3 4.15Å |
| 707 | S | 82.8 | Confident | 85.1 | Confident | 94 Ų | 94 | 66 Ų | 66 | 66% | 0.657 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -78.3 | -18.4 | 176.1 | 74.4 | 0 | 0 | 0 | 0 | 113.5 | A703 Q704 M705 | A703-S707 PolarHBondContact O-N 2.83Å; A703-S707 VanDerWaalsContact O-N 3.13Å; Q704-S707 PolarHBondContact O-N 3.4Å; Q704-S707 VanDerWaalsContact O-N 3.12Å; Q704-S707 PolarHBondContact O-OG 3.24Å; M705-S707 VanDerWaalsContact C-N 3.27Å; M705-S707 PolarHBondContact O-N 3.41Å |
| 708 | T | 78.9 | Confident | 84.8 | Confident | 73 Ų | 73 | 64.7 Ų | 64.7 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -92.1 | 132.2 | -177.1 | -29.4 | 0 | 0 | 0 | 0 | 110.8 | Q704 M705 F706 S710 F711 | Q704-T708 PolarHBondContact O-N 3.38Å; Q704-T708 PolarHBondContact O-OG1 3.39Å; M705-T708 PolarHBondContact O-N 2.97Å; F706-T708 VanDerWaalsContact C-N 3.33Å; T708-S710 PolarHBondContact O-N 2.99Å; T708-S710 VanDerWaalsContact O-N 3.14Å; T708-F711 WeakPolarHBondContact O-CD1 3.47Å |
| 709 | N | 62.4 | Low | 84.7 | Confident | 174 Ų | 174 | 64.2 Ų | 64.2 | 93% | 0.93 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -67.8 | -11.7 | -178.1 | -80.4 | -20.5 | 0 | 0 | 0 | 115.1 | ||
| 710 | S | 63.8 | Low | 84.7 | Confident | 109 Ų | 109 | 64.3 Ų | 64.3 | 76% | 0.762 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -141.8 | 75.5 | 179.8 | 60.7 | 0 | 0 | 0 | 0 | 110.5 | T708 | T708-S710 PolarHBondContact O-N 2.99Å; T708-S710 VanDerWaalsContact O-N 3.14Å |
| 711 | F | 77.4 | Confident | 84.6 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 26% | 0.259 | 33% | 0.326 | S | S | . | . | trans | -98.7 | 154.9 | 175.3 | 67.9 | -88.9 | 0 | 0 | 0 | 111.5 | M705 F706 T708 E713 A716 W762 | M705-F711 HydrophobicContact CB-CB 4.14Å; M705-F711 HydrophobicContact CB-CD2 4.28Å; M705-F711 HydrophobicContact CB-CG 4.27Å; M705-F711 WeakPolarHBondContact O-CB 3.39Å; M705-F711 WeakPolarHBondContact O-CD1 3.49Å; M705-F711 WeakPolarHBondContact O-CG 3.3Å; F706-F711 HydrophobicContact CD1-CE1 4.25Å; F706-F711 HydrophobicContact CD1-CE2 4.25Å; F706-F711 AromaticContact CD1-CZ 3.85Å; F706-F711 HydrophobicContact CD1-CZ 3.85Å; F706-F711 HydrophobicContact CE1-CE2 4.29Å; F706-F711 HydrophobicContact CE1-CZ 4.1Å; T708-F711 WeakPolarHBondContact O-CD1 3.47Å; F711-E713 PolarHBondContact O-N 3.48Å; F711-A716 HydrophobicContact CD2-CB 3.59Å; F711-A716 HydrophobicContact CE2-CB 3.56Å; F711-W762 HydrophobicContact CE2-CZ2 4.07Å; F711-W762 HydrophobicContact CZ-CZ2 4.4Å | ||
| 712 | N | 82.4 | Confident | 84.6 | Confident | 83 Ų | 83 | 58 Ų | 58 | 44% | 0.444 | 31% | 0.312 | S | S | . | . | trans | -69.6 | 102.6 | 174.8 | -178.3 | -6.6 | 0 | 0 | 0 | 109.8 | Q714 E715 A716 | N712-Q714 VanDerWaalsContact C-N 3.31Å; N712-Q714 PolarHBondContact O-N 2.92Å; N712-Q714 PolarHBondContact OD1-N 2.96Å; N712-E715 HydrophobicContact CB-CB 3.91Å; N712-E715 WeakPolarHBondContact ND2-CB 3.12Å; N712-E715 PolarHBondContact ND2-OE2 3Å; N712-E715 PolarHBondContact O-N 3.26Å; N712-E715 PolarHBondContact OD1-N 3.49Å; N712-A716 PolarHBondContact O-N 3.14Å | ||
| 713 | E | 85.1 | Confident | 84.7 | Confident | 89 Ų | 89 | 58.1 Ų | 58.1 | 42% | 0.416 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59 | -40.2 | -175.6 | -170.5 | -175.6 | 160.7 | 0 | 0 | 112.4 | F711 A716 K717 W762 | F711-E713 PolarHBondContact O-N 3.48Å; E713-A716 PolarHBondContact O-N 3.29Å; E713-K717 HydrophobicContact CG-CD 4.23Å; E713-K717 HydrophobicContact CG-CG 4.45Å; E713-K717 WeakPolarHBondContact O-CB 3.14Å; E713-K717 WeakPolarHBondContact O-CG 3.46Å; E713-K717 PolarHBondContact O-N 3Å; E713-K717 WeakPolarHBondContact OE1-CE 3.42Å; E713-K717 IonicContact OE1-NZ 2.7Å; E713-K717 PolarHBondContact OE1-NZ 3.23Å; E713-W762 HydrophobicContact CG-CZ2 4.01Å; E713-W762 PolarHBondContact OE1-NE1 3.38Å; E713-W762 VanDerWaalsContact OE1-NE1 3.13Å |
| 714 | Q | 85.2 | Confident | 85 | Confident | 126 Ų | 126 | 56.3 Ų | 56.3 | 59% | 0.589 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -68.2 | -39.3 | -178.1 | -68.1 | -172 | -9.4 | 0 | 0 | 112.3 | N712 R718 | N712-Q714 VanDerWaalsContact C-N 3.31Å; N712-Q714 PolarHBondContact O-N 2.92Å; N712-Q714 PolarHBondContact OD1-N 2.96Å; Q714-R718 WeakPolarHBondContact O-CB 3.48Å; Q714-R718 VanDerWaalsContact O-CG 3.32Å; Q714-R718 WeakPolarHBondContact O-CG 3.03Å; Q714-R718 PolarHBondContact O-N 3.45Å |
| 715 | E | 86.3 | Confident | 85.2 | Confident | 98 Ų | 98 | 51.5 Ų | 51.5 | 46% | 0.458 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67 | -47.6 | 176 | -175.3 | 174.6 | -179.1 | 0 | 0 | 110.8 | N712 K717 R718 T719 | N712-E715 HydrophobicContact CB-CB 3.91Å; N712-E715 WeakPolarHBondContact ND2-CB 3.12Å; N712-E715 PolarHBondContact ND2-OE2 3Å; N712-E715 PolarHBondContact O-N 3.26Å; N712-E715 PolarHBondContact OD1-N 3.49Å; E715-K717 VanDerWaalsContact C-N 3.32Å; E715-K717 PolarHBondContact O-N 3.29Å; E715-R718 PolarHBondContact O-N 2.99Å; E715-R718 VanDerWaalsContact O-N 3.15Å; E715-T719 PolarHBondContact O-N 3.07Å; E715-T719 PolarHBondContact O-OG1 3.03Å |
| 716 | A | 88.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M705 F711 N712 E713 L720 W762 | M705-A716 HydrophobicContact CB-CB 4.46Å; M705-A716 HydrophobicContact SD-CB 3.73Å; F711-A716 HydrophobicContact CD2-CB 3.59Å; F711-A716 HydrophobicContact CE2-CB 3.56Å; N712-A716 PolarHBondContact O-N 3.14Å; E713-A716 PolarHBondContact O-N 3.29Å; A716-L720 VanDerWaalsContact O-CB 3.29Å; A716-L720 WeakPolarHBondContact O-CB 3.43Å; A716-L720 PolarHBondContact O-N 3.14Å; A716-W762 HydrophobicContact CB-CH2 3.89Å; A716-W762 HydrophobicContact CB-CZ2 4.27Å |
| 717 | K | 89.4 | Confident | 85.9 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.7 | -48 | 174.6 | -77.8 | 180 | 173.6 | -176.6 | 0 | 111.6 | E713 E715 V721 W762 D765 C768 | E713-K717 HydrophobicContact CG-CD 4.23Å; E713-K717 HydrophobicContact CG-CG 4.45Å; E713-K717 WeakPolarHBondContact O-CB 3.14Å; E713-K717 WeakPolarHBondContact O-CG 3.46Å; E713-K717 PolarHBondContact O-N 3Å; E713-K717 WeakPolarHBondContact OE1-CE 3.42Å; E713-K717 IonicContact OE1-NZ 2.7Å; E713-K717 PolarHBondContact OE1-NZ 3.23Å; E715-K717 VanDerWaalsContact C-N 3.32Å; E715-K717 PolarHBondContact O-N 3.29Å; K717-V721 WeakPolarHBondContact O-CB 3.44Å; K717-V721 WeakPolarHBondContact O-CG2 3.13Å; K717-V721 PolarHBondContact O-N 3.42Å; K717-W762 HydrophobicContact CB-CH2 4.34Å; K717-W762 HydrophobicContact CB-CZ3 4.46Å; K717-W762 HydrophobicContact CD-CD2 4.43Å; K717-W762 VanDerWaalsContact CE-NE1 3.31Å; K717-W762 HydrophobicContact CG-CD2 3.86Å; K717-W762 HydrophobicContact CG-CE3 3.9Å; K717-W762 HydrophobicContact CG-CH2 3.61Å; K717-W762 HydrophobicContact CG-CZ2 3.56Å; K717-W762 HydrophobicContact CG-CZ3 3.77Å; K717-D765 WeakPolarHBondContact CE-OD2 3.3Å; K717-D765 IonicContact NZ-OD2 3.53Å; K717-D765 PolarHBondContact NZ-OD2 3.46Å; K717-C768 VanDerWaalsContact CD-SG 3.53Å; K717-C768 WeakPolarHBondContact CG-SG 3.37Å |
| 718 | R | 87.9 | Confident | 86.6 | Confident | 30 Ų | 30 | 46.9 Ų | 46.9 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.7 | -44.2 | 179.9 | -74.9 | 174.6 | 177.8 | 152.7 | -6.4 | 112.3 | I654 N656 L660 M663 Q714 E715 V721 G722 | I654-R718 HydrophobicContact CG2-CB 3.54Å; I654-R718 HydrophobicContact CG2-CG 4.29Å; N656-R718 PolarHBondContact O-NH2 2.85Å; N656-R718 PolarHBondContact OD1-NH1 3.04Å; L660-R718 HydrophobicContact CD2-CB 4.43Å; L660-R718 HydrophobicContact CD2-CG 3.78Å; M663-R718 HydrophobicContact CE-CB 4Å; M663-R718 HydrophobicContact CE-CG 4.1Å; Q714-R718 WeakPolarHBondContact O-CB 3.48Å; Q714-R718 VanDerWaalsContact O-CG 3.32Å; Q714-R718 WeakPolarHBondContact O-CG 3.03Å; Q714-R718 PolarHBondContact O-N 3.45Å; E715-R718 PolarHBondContact O-N 2.99Å; E715-R718 VanDerWaalsContact O-N 3.15Å; R718-V721 PolarHBondContact O-N 3.03Å; R718-G722 PolarHBondContact O-N 2.95Å |
| 719 | T | 89.3 | Confident | 87.4 | Confident | 17 Ų | 17 | 43.4 Ų | 43.4 | 10% | 0.104 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -48.4 | 176.8 | -52.9 | 0 | 0 | 0 | 0 | 110.8 | I654 V702 M705 E715 G722 L723 | I654-T719 HydrophobicContact CD1-CG2 4.16Å; I654-T719 VanDerWaalsContact CD1-OG1 3.26Å; I654-T719 WeakPolarHBondContact CD1-OG1 3.33Å; V702-T719 HydrophobicContact CG2-CG2 3.61Å; M705-T719 HydrophobicContact CE-CG2 4.28Å; E715-T719 PolarHBondContact O-N 3.07Å; E715-T719 PolarHBondContact O-OG1 3.03Å; T719-G722 PolarHBondContact O-N 3.21Å; T719-L723 VanDerWaalsContact O-CB 3.28Å; T719-L723 WeakPolarHBondContact O-CB 3.36Å; T719-L723 PolarHBondContact O-N 3.4Å |
| 720 | L | 91.6 | Very high | 89 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.4 | -47.9 | 177.5 | 179.7 | 72.6 | 0 | 0 | 0 | 111.8 | V702 A716 G722 L723 V724 L755 A758 W762 V772 | V702-L720 HydrophobicContact CG1-CD1 4.38Å; A716-L720 VanDerWaalsContact O-CB 3.29Å; A716-L720 WeakPolarHBondContact O-CB 3.43Å; A716-L720 PolarHBondContact O-N 3.14Å; L720-G722 VanDerWaalsContact C-N 3.34Å; L720-G722 PolarHBondContact O-N 3.45Å; L720-L723 PolarHBondContact O-N 3.29Å; L720-V724 HydrophobicContact CD1-CG2 3.86Å; L720-V724 HydrophobicContact CG-CG2 4.09Å; L720-V724 VanDerWaalsContact O-CB 3.31Å; L720-V724 WeakPolarHBondContact O-CB 3.44Å; L720-V724 WeakPolarHBondContact O-CG2 3.45Å; L720-V724 PolarHBondContact O-N 2.92Å; L720-L755 HydrophobicContact CD1-CD2 3.98Å; L720-A758 HydrophobicContact CD2-CB 3.24Å; L720-W762 HydrophobicContact CB-CZ3 4.45Å; L720-W762 HydrophobicContact CD2-CE3 4.13Å; L720-W762 HydrophobicContact CD2-CZ3 3.61Å; L720-V772 HydrophobicContact CD2-CG2 4.18Å |
| 721 | V | 91.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.6 | -43.2 | -178.8 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | L660 M663 K717 R718 R725 C768 P771 | L660-V721 HydrophobicContact CD2-CB 4.03Å; L660-V721 HydrophobicContact CD2-CG1 4.11Å; L660-V721 HydrophobicContact CD2-CG2 4.18Å; M663-V721 HydrophobicContact SD-CB 4.29Å; M663-V721 HydrophobicContact SD-CG1 3.88Å; K717-V721 WeakPolarHBondContact O-CB 3.44Å; K717-V721 WeakPolarHBondContact O-CG2 3.13Å; K717-V721 PolarHBondContact O-N 3.42Å; R718-V721 PolarHBondContact O-N 3.03Å; V721-R725 HydrophobicContact CG1-CG 4.3Å; V721-R725 WeakPolarHBondContact O-CB 3.49Å; V721-R725 WeakPolarHBondContact O-CG 3.35Å; V721-R725 PolarHBondContact O-N 2.85Å; V721-C768 HydrophobicContact CG2-CB 4.44Å; V721-P771 HydrophobicContact CG1-CG 4.14Å; V721-P771 HydrophobicContact CG2-CG 4.43Å |
| 722 | G | 91 | Very high | 91.3 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.4 | -55.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R666 R718 T719 L720 V724 R725 D726 | R666-G722 PolarHBondContact NE-O 3.23Å; R718-G722 PolarHBondContact O-N 2.95Å; T719-G722 PolarHBondContact O-N 3.21Å; L720-G722 VanDerWaalsContact C-N 3.34Å; L720-G722 PolarHBondContact O-N 3.45Å; G722-V724 PolarHBondContact O-N 3.13Å; G722-R725 WeakPolarHBondContact O-CB 3.34Å; G722-R725 PolarHBondContact O-N 2.93Å; G722-R725 VanDerWaalsContact O-N 3.11Å; G722-D726 PolarHBondContact O-N 2.68Å; G722-D726 VanDerWaalsContact O-OD1 3.07Å |
| 723 | L | 92.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.2 | -47.8 | 179.7 | 175.5 | 60.6 | 0 | 0 | 0 | 113 | L695 A698 F699 T719 L720 R725 D726 L727 | L695-L723 HydrophobicContact CB-CD1 4.1Å; L695-L723 HydrophobicContact CD2-CD1 3.81Å; A698-L723 HydrophobicContact CB-CD1 4.07Å; A698-L723 HydrophobicContact CB-CD2 4.34Å; F699-L723 HydrophobicContact CB-CD2 4.22Å; F699-L723 HydrophobicContact CD1-CD2 3.53Å; F699-L723 HydrophobicContact CD2-CD1 4.17Å; F699-L723 HydrophobicContact CD2-CD2 3.81Å; F699-L723 HydrophobicContact CD2-CG 4.38Å; F699-L723 HydrophobicContact CE1-CD2 3.7Å; F699-L723 HydrophobicContact CE2-CD1 4.24Å; F699-L723 HydrophobicContact CE2-CD2 4.01Å; F699-L723 HydrophobicContact CE2-CG 4.27Å; F699-L723 HydrophobicContact CG-CD2 3.57Å; F699-L723 HydrophobicContact CZ-CD2 3.94Å; F699-L723 HydrophobicContact CZ-CG 4.32Å; T719-L723 VanDerWaalsContact O-CB 3.28Å; T719-L723 WeakPolarHBondContact O-CB 3.36Å; T719-L723 PolarHBondContact O-N 3.4Å; L720-L723 PolarHBondContact O-N 3.29Å; L723-R725 VanDerWaalsContact C-N 3.27Å; L723-R725 PolarHBondContact O-N 2.91Å; L723-D726 WeakPolarHBondContact O-CB 3.18Å; L723-D726 PolarHBondContact O-N 3.1Å; L723-L727 HydrophobicContact CD1-CD1 3.96Å; L723-L727 HydrophobicContact CD1-CG 4.2Å; L723-L727 HydrophobicContact CG-CD1 3.99Å; L723-L727 VanDerWaalsContact O-CG 3.31Å; L723-L727 WeakPolarHBondContact O-CG 3.45Å; L723-L727 PolarHBondContact O-N 3.45Å |
| 724 | V | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.7 | -32.6 | -179.9 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | L720 G722 R728 L755 P771 V772 L775 | L720-V724 HydrophobicContact CD1-CG2 3.86Å; L720-V724 HydrophobicContact CG-CG2 4.09Å; L720-V724 VanDerWaalsContact O-CB 3.31Å; L720-V724 WeakPolarHBondContact O-CB 3.44Å; L720-V724 WeakPolarHBondContact O-CG2 3.45Å; L720-V724 PolarHBondContact O-N 2.92Å; G722-V724 PolarHBondContact O-N 3.13Å; V724-R728 WeakPolarHBondContact O-CB 3.39Å; V724-R728 PolarHBondContact O-N 3.09Å; V724-L755 HydrophobicContact CG2-CD2 3.82Å; V724-P771 HydrophobicContact CB-CB 4.48Å; V724-P771 HydrophobicContact CG1-CB 3.78Å; V724-P771 VanDerWaalsContact CG1-O 3.25Å; V724-P771 WeakPolarHBondContact CG1-O 3.49Å; V724-V772 HydrophobicContact CG1-CG2 4.24Å; V724-V772 HydrophobicContact CG2-CG2 3.97Å; V724-L775 HydrophobicContact CB-CD2 4.44Å; V724-L775 HydrophobicContact CG1-CB 3.8Å; V724-L775 HydrophobicContact CG1-CD2 3.97Å; V724-L775 HydrophobicContact CG2-CD2 4.35Å |
| 725 | R | 93.5 | Very high | 92.4 | Very high | 30 Ų | 30 | 18.2 Ų | 18.2 | 11% | 0.113 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -70 | -38.2 | 175.3 | -71.3 | -75.3 | -179.3 | 170.7 | 6.2 | 112 | R666 T667 V721 G722 L723 G729 | R666-R725 HydrophobicContact CB-CB 4.3Å; T667-R725 WeakPolarHBondContact CA-O 3.35Å; T667-R725 WeakPolarHBondContact OG1-CB 3.22Å; T667-R725 VanDerWaalsContact OG1-CD 3.25Å; T667-R725 WeakPolarHBondContact OG1-CD 3.39Å; T667-R725 PolarHBondContact OG1-O 2.88Å; V721-R725 HydrophobicContact CG1-CG 4.3Å; V721-R725 WeakPolarHBondContact O-CB 3.49Å; V721-R725 WeakPolarHBondContact O-CG 3.35Å; V721-R725 PolarHBondContact O-N 2.85Å; G722-R725 WeakPolarHBondContact O-CB 3.34Å; G722-R725 PolarHBondContact O-N 2.93Å; G722-R725 VanDerWaalsContact O-N 3.11Å; L723-R725 VanDerWaalsContact C-N 3.27Å; L723-R725 PolarHBondContact O-N 2.91Å; R725-G729 PolarHBondContact O-N 3.06Å |
| 726 | D | 94.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 15.3 Ų | 15.3 | 2% | 0.021 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.3 | -54.2 | 175.9 | -57.8 | -13.4 | 0 | 0 | 0 | 109.9 | R666 Y670 L695 G722 L723 R728 G729 I730 | R666-D726 VanDerWaalsContact CB-OD1 3.28Å; R666-D726 WeakPolarHBondContact CB-OD1 3.28Å; R666-D726 IonicContact CZ-OD1 2.81Å; R666-D726 IonicContact CZ-OD2 3.61Å; R666-D726 IonicContact NE-OD1 3.08Å; R666-D726 PolarHBondContact NE-OD1 3.41Å; R666-D726 IonicContact NE-OD2 3.89Å; R666-D726 IonicContact NH2-OD1 3.51Å; R666-D726 PolarHBondContact NH2-OD1 3.04Å; R666-D726 IonicContact NH2-OD2 2.68Å; R666-D726 PolarHBondContact NH2-OD2 3.33Å; Y670-D726 WeakPolarHBondContact CB-O 3.44Å; Y670-D726 HydrophobicContact CD1-CB 4.27Å; Y670-D726 HydrophobicContact CD2-CB 3.46Å; Y670-D726 VanDerWaalsContact CD2-CB 3.46Å; Y670-D726 VanDerWaalsContact CD2-CG 3.43Å; Y670-D726 VanDerWaalsContact CD2-OD1 3.29Å; Y670-D726 WeakPolarHBondContact CD2-OD1 3.46Å; Y670-D726 HydrophobicContact CE1-CB 4.29Å; Y670-D726 HydrophobicContact CE2-CB 3.52Å; Y670-D726 WeakPolarHBondContact CE2-OD1 3.4Å; Y670-D726 HydrophobicContact CG-CB 3.85Å; L695-D726 HydrophobicContact CD2-CB 3.82Å; G722-D726 PolarHBondContact O-N 2.68Å; G722-D726 VanDerWaalsContact O-OD1 3.07Å; L723-D726 WeakPolarHBondContact O-CB 3.18Å; L723-D726 PolarHBondContact O-N 3.1Å; D726-R728 VanDerWaalsContact C-N 3.27Å; D726-R728 PolarHBondContact O-N 3.49Å; D726-G729 WeakPolarHBondContact O-CA 3.44Å; D726-G729 PolarHBondContact O-N 3.27Å; D726-I730 PolarHBondContact O-N 2.7Å |
| 727 | L | 95.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.4 | -37.6 | 178.5 | -69.1 | 170.1 | 0 | 0 | 0 | 112.5 | M692 L695 F699 L723 G729 I730 A731 W746 L775 | M692-L727 HydrophobicContact CE-CD2 4.11Å; L695-L727 HydrophobicContact CD1-CD2 4.17Å; F699-L727 HydrophobicContact CD2-CD1 4.45Å; F699-L727 HydrophobicContact CE2-CD1 3.32Å; F699-L727 HydrophobicContact CE2-CG 4.5Å; F699-L727 HydrophobicContact CZ-CD1 3.46Å; F699-L727 VanDerWaalsContact CZ-CD1 3.46Å; L723-L727 HydrophobicContact CD1-CD1 3.96Å; L723-L727 HydrophobicContact CD1-CG 4.2Å; L723-L727 HydrophobicContact CG-CD1 3.99Å; L723-L727 VanDerWaalsContact O-CG 3.31Å; L723-L727 WeakPolarHBondContact O-CG 3.45Å; L723-L727 PolarHBondContact O-N 3.45Å; L727-G729 VanDerWaalsContact C-N 3.26Å; L727-G729 PolarHBondContact O-N 2.81Å; L727-I730 PolarHBondContact O-N 3.27Å; L727-A731 WeakPolarHBondContact O-CB 3.22Å; L727-A731 PolarHBondContact O-N 3Å; L727-W746 HydrophobicContact CD1-CZ3 4.43Å; L727-W746 HydrophobicContact CD2-CH2 3.83Å; L727-W746 HydrophobicContact CD2-CZ3 3.51Å; L727-L775 HydrophobicContact CB-CD1 3.94Å; L727-L775 HydrophobicContact CB-CD2 4.08Å; L727-L775 HydrophobicContact CD1-CD2 4.22Å |
| 728 | R | 95.8 | Very high | 92.7 | Very high | 58 Ų | 58 | 20.1 Ų | 20.1 | 22% | 0.219 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.1 | -35.5 | 176.4 | -178.2 | 175.2 | 174.2 | -111.2 | -6.7 | 111.5 | T667 V724 D726 F732 L775 | T667-R728 HydrophobicContact CG2-CG 4.49Å; V724-R728 WeakPolarHBondContact O-CB 3.39Å; V724-R728 PolarHBondContact O-N 3.09Å; D726-R728 VanDerWaalsContact C-N 3.27Å; D726-R728 PolarHBondContact O-N 3.49Å; R728-F732 WeakPolarHBondContact O-CB 3.33Å; R728-F732 PolarHBondContact O-N 2.88Å; R728-L775 HydrophobicContact CB-CB 4.43Å; R728-L775 HydrophobicContact CB-CD1 4.13Å |
| 729 | G | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.5 | -47.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T667 T671 R725 D726 L727 F732 A733 | T667-G729 WeakPolarHBondContact O-CA 3.36Å; T671-G729 WeakPolarHBondContact CA-O 3.41Å; T671-G729 VanDerWaalsContact OG1-CA 3.28Å; T671-G729 WeakPolarHBondContact OG1-CA 3.42Å; R725-G729 PolarHBondContact O-N 3.06Å; D726-G729 WeakPolarHBondContact O-CA 3.44Å; D726-G729 PolarHBondContact O-N 3.27Å; L727-G729 VanDerWaalsContact C-N 3.26Å; L727-G729 PolarHBondContact O-N 2.81Å; G729-F732 WeakPolarHBondContact O-CB 3.46Å; G729-F732 PolarHBondContact O-N 3.1Å; G729-A733 PolarHBondContact O-N 2.86Å |
| 730 | I | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.6 | -50 | 176.5 | -63.2 | 168.5 | 0 | 0 | 0 | 110.6 | Y670 F691 M692 L695 D726 L727 F732 A733 F734 L743 | Y670-I730 HydrophobicContact CD1-CD1 3.85Å; Y670-I730 HydrophobicContact CD1-CG1 3.93Å; Y670-I730 HydrophobicContact CE1-CD1 4.35Å; Y670-I730 HydrophobicContact CG-CG1 4.48Å; F691-I730 HydrophobicContact CE1-CD1 3.85Å; F691-I730 HydrophobicContact CE1-CG1 4.32Å; M692-I730 HydrophobicContact SD-CD1 4.14Å; L695-I730 HydrophobicContact CD1-CD1 3.37Å; D726-I730 PolarHBondContact O-N 2.7Å; L727-I730 PolarHBondContact O-N 3.27Å; I730-F732 PolarHBondContact O-N 3.06Å; I730-A733 WeakPolarHBondContact O-CB 3.37Å; I730-A733 PolarHBondContact O-N 3.43Å; I730-F734 HydrophobicContact CG2-CD1 4.09Å; I730-F734 HydrophobicContact CG2-CD2 4Å; I730-F734 HydrophobicContact CG2-CE1 3.82Å; I730-F734 HydrophobicContact CG2-CE2 3.74Å; I730-F734 HydrophobicContact CG2-CG 4.19Å; I730-F734 HydrophobicContact CG2-CZ 3.64Å; I730-F734 WeakPolarHBondContact O-CB 3.27Å; I730-F734 WeakPolarHBondContact O-CD1 3.31Å; I730-F734 WeakPolarHBondContact O-CG 3.36Å; I730-F734 PolarHBondContact O-N 3.21Å; I730-L743 HydrophobicContact CG2-CD1 4.39Å; I730-L743 HydrophobicContact CG2-CD2 4.41Å |
| 731 | A | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.6 | -37 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L727 L743 L775 E778 L779 R786 | L727-A731 WeakPolarHBondContact O-CB 3.22Å; L727-A731 PolarHBondContact O-N 3Å; A731-L743 HydrophobicContact CB-CD2 3.86Å; A731-L775 HydrophobicContact CB-CD1 4.35Å; A731-E778 HydrophobicContact CB-CG 4.03Å; A731-L779 HydrophobicContact CB-CD2 4.06Å; A731-R786 PolarHBondContact O-NH1 3.39Å |
| 732 | F | 94.8 | Very high | 93.1 | Very high | 68 Ų | 68 | 19.9 Ų | 19.9 | 30% | 0.298 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -69.8 | -38.1 | 175.7 | -175.5 | -81.9 | 0 | 0 | 0 | 112.6 | T671 R728 G729 I730 N735 E778 R783 | T671-F732 HydrophobicContact CG2-CD1 3.64Å; T671-F732 HydrophobicContact CG2-CE1 4.21Å; R728-F732 WeakPolarHBondContact O-CB 3.33Å; R728-F732 PolarHBondContact O-N 2.88Å; G729-F732 WeakPolarHBondContact O-CB 3.46Å; G729-F732 PolarHBondContact O-N 3.1Å; I730-F732 PolarHBondContact O-N 3.06Å; F732-N735 PolarHBondContact O-ND2 3.43Å; F732-N735 PolarHBondContact O-OD1 3.34Å; F732-E778 HydrophobicContact CB-CG 4.39Å; F732-R783 PolarHBondContact O-NH1 2.66Å |
| 733 | A | 93.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69 | -37.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T671 R675 G729 I730 N735 | T671-A733 WeakPolarHBondContact O-CB 3.2Å; R675-A733 HydrophobicContact CG-CB 3.94Å; G729-A733 PolarHBondContact O-N 2.86Å; I730-A733 WeakPolarHBondContact O-CB 3.37Å; I730-A733 PolarHBondContact O-N 3.43Å; A733-N735 PolarHBondContact O-N 2.89Å; A733-N735 PolarHBondContact O-ND2 3.44Å |
| 734 | F | 93.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -71.5 | 86.4 | -177.6 | -74.5 | 13.9 | 0 | 0 | 0 | 111.9 | L677 M678 L681 Y688 I730 S739 F740 L743 R786 | L677-F734 HydrophobicContact CD2-CE1 4.46Å; L677-F734 HydrophobicContact CD2-CZ 4.24Å; M678-F734 HydrophobicContact CG-CD1 3.8Å; M678-F734 HydrophobicContact CG-CE1 3.91Å; M678-F734 VanDerWaalsContact SD-CA 3.53Å; M678-F734 HydrophobicContact SD-CB 4.45Å; M678-F734 HydrophobicContact SD-CD1 3.71Å; M678-F734 HydrophobicContact SD-CE1 4.43Å; M678-F734 HydrophobicContact SD-CG 4.38Å; L681-F734 HydrophobicContact CD2-CZ 4.44Å; Y688-F734 HydrophobicContact CD2-CE2 4.44Å; Y688-F734 HydrophobicContact CD2-CZ 4.47Å; Y688-F734 AromaticContact CE2-CE2 3.82Å; Y688-F734 HydrophobicContact CE2-CE2 3.82Å; Y688-F734 HydrophobicContact CE2-CZ 4.15Å; I730-F734 HydrophobicContact CG2-CD1 4.09Å; I730-F734 HydrophobicContact CG2-CD2 4Å; I730-F734 HydrophobicContact CG2-CE1 3.82Å; I730-F734 HydrophobicContact CG2-CE2 3.74Å; I730-F734 HydrophobicContact CG2-CG 4.19Å; I730-F734 HydrophobicContact CG2-CZ 3.64Å; I730-F734 WeakPolarHBondContact O-CB 3.27Å; I730-F734 WeakPolarHBondContact O-CD1 3.31Å; I730-F734 WeakPolarHBondContact O-CG 3.36Å; I730-F734 PolarHBondContact O-N 3.21Å; F734-S739 WeakPolarHBondContact CD2-O 3.29Å; F734-S739 WeakPolarHBondContact CE2-O 3.34Å; F734-F740 HydrophobicContact CB-CD2 4.39Å; F734-L743 HydrophobicContact CD2-CB 3.85Å; F734-L743 HydrophobicContact CD2-CD2 4.12Å; F734-L743 HydrophobicContact CE2-CB 4.12Å; F734-R786 VanDerWaalsContact O-CD 3.28Å; F734-R786 WeakPolarHBondContact O-CD 3.44Å; F734-R786 PolarHBondContact O-NH1 3.29Å | ||
| 735 | N | 89.4 | Confident | 93.1 | Very high | 42 Ų | 42 | 25.6 Ų | 25.6 | 23% | 0.225 | 13% | 0.127 | C | C | . | . | trans | -102 | -6.2 | -177.6 | -67.1 | -61.8 | 0 | 0 | 0 | 113.6 | F732 A733 R783 R786 | F732-N735 PolarHBondContact O-ND2 3.43Å; F732-N735 PolarHBondContact O-OD1 3.34Å; A733-N735 PolarHBondContact O-N 2.89Å; A733-N735 PolarHBondContact O-ND2 3.44Å; N735-R783 WeakPolarHBondContact OD1-CD 3.36Å; N735-R786 WeakPolarHBondContact O-CB 3.2Å | ||
| 736 | A | 89.1 | Confident | 93.1 | Very high | 37 Ų | 37 | 26 Ų | 26 | 31% | 0.306 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -94.5 | 152.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | M678 T738 F740 | M678-A736 HydrophobicContact CE-CB 3.62Å; A736-T738 PolarHBondContact O-N 3.38Å; A736-F740 VanDerWaalsContact O-CB 3.27Å; A736-F740 WeakPolarHBondContact O-CB 3.11Å; A736-F740 PolarHBondContact O-N 2.91Å; A736-F740 VanDerWaalsContact O-N 3.15Å |
| 737 | K | 90.1 | Very high | 93.1 | Very high | 68 Ų | 68 | 26 Ų | 26 | 30% | 0.296 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -55.8 | -51 | 177 | 178.3 | -173.8 | 169.4 | -177.8 | 0 | 111.4 | F740 M741 Q788 D790 | K737-F740 PolarHBondContact O-N 2.82Å; K737-M741 HydrophobicContact CG-CG 4.33Å; K737-M741 VanDerWaalsContact O-CG 3.31Å; K737-M741 WeakPolarHBondContact O-CG 3.29Å; K737-M741 PolarHBondContact O-N 3.08Å; K737-Q788 VanDerWaalsContact CD-O 3.25Å; K737-Q788 WeakPolarHBondContact CD-O 3.2Å; K737-Q788 WeakPolarHBondContact CE-O 3.5Å; K737-D790 IonicContact NZ-OD1 2.88Å; K737-D790 PolarHBondContact NZ-OD1 3.07Å; K737-D790 IonicContact NZ-OD2 2.75Å; K737-D790 PolarHBondContact NZ-OD2 3.48Å |
| 738 | T | 90.1 | Very high | 92.8 | Very high | 60 Ų | 60 | 28.1 Ų | 28.1 | 37% | 0.368 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -60.5 | -56.6 | -173.9 | 50.2 | 0 | 0 | 0 | 0 | 112.2 | A736 F740 M741 M742 | A736-T738 PolarHBondContact O-N 3.38Å; T738-F740 VanDerWaalsContact C-N 3.3Å; T738-F740 PolarHBondContact O-N 3.35Å; T738-M741 WeakPolarHBondContact O-CB 3.16Å; T738-M741 PolarHBondContact O-N 3.31Å; T738-M741 VanDerWaalsContact O-N 3.09Å; T738-M742 PolarHBondContact O-N 3.34Å |
| 739 | S | 91.7 | Very high | 92.6 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.4 | -36.1 | -179.4 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | M678 F734 M742 L743 | M678-S739 WeakPolarHBondContact CE-OG 3.27Å; F734-S739 WeakPolarHBondContact CD2-O 3.29Å; F734-S739 WeakPolarHBondContact CE2-O 3.34Å; S739-M742 PolarHBondContact O-N 3.3Å; S739-L743 PolarHBondContact O-N 3.42Å; S739-L743 VanDerWaalsContact O-N 3.15Å |
| 740 | F | 92.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.5 | -35.6 | 175 | -167.4 | -84.9 | 0 | 0 | 0 | 112.3 | F734 A736 K737 T738 L743 F744 L779 R786 L787 | F734-F740 HydrophobicContact CB-CD2 4.39Å; A736-F740 VanDerWaalsContact O-CB 3.27Å; A736-F740 WeakPolarHBondContact O-CB 3.11Å; A736-F740 PolarHBondContact O-N 2.91Å; A736-F740 VanDerWaalsContact O-N 3.15Å; K737-F740 PolarHBondContact O-N 2.82Å; T738-F740 VanDerWaalsContact C-N 3.3Å; T738-F740 PolarHBondContact O-N 3.35Å; F740-L743 PolarHBondContact O-N 2.97Å; F740-F744 HydrophobicContact CE1-CB 4.48Å; F740-F744 WeakPolarHBondContact O-CB 3.42Å; F740-F744 PolarHBondContact O-N 3.01Å; F740-L779 HydrophobicContact CE2-CD2 4.23Å; F740-L779 HydrophobicContact CZ-CB 4.49Å; F740-L779 HydrophobicContact CZ-CD2 4.03Å; F740-L779 VanDerWaalsContact CZ-O 3.22Å; F740-L779 WeakPolarHBondContact CZ-O 3.16Å; F740-R786 HydrophobicContact CB-CB 4.42Å; F740-R786 HydrophobicContact CD2-CG 4.31Å; F740-R786 HydrophobicContact CG-CG 4.3Å; F740-L787 HydrophobicContact CD1-CD2 3.64Å; F740-L787 HydrophobicContact CE1-CD2 3.16Å; F740-L787 HydrophobicContact CE1-CG 4.5Å; F740-L787 HydrophobicContact CZ-CD2 3.75Å |
| 741 | M | 90.8 | Very high | 92.2 | Very high | 23 Ų | 23 | 34.5 Ų | 34.5 | 11% | 0.113 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.3 | -45.5 | 174.2 | -74.6 | -53.5 | 98.1 | 0 | 0 | 111.5 | K737 T738 L743 F744 E745 F789 | K737-M741 HydrophobicContact CG-CG 4.33Å; K737-M741 VanDerWaalsContact O-CG 3.31Å; K737-M741 WeakPolarHBondContact O-CG 3.29Å; K737-M741 PolarHBondContact O-N 3.08Å; T738-M741 WeakPolarHBondContact O-CB 3.16Å; T738-M741 PolarHBondContact O-N 3.31Å; T738-M741 VanDerWaalsContact O-N 3.09Å; M741-L743 VanDerWaalsContact C-N 3.26Å; M741-L743 PolarHBondContact O-N 2.86Å; M741-F744 PolarHBondContact O-N 3.47Å; M741-E745 WeakPolarHBondContact O-CG 3.5Å; M741-E745 PolarHBondContact O-N 3.07Å; M741-F789 HydrophobicContact CE-CD1 3.9Å; M741-F789 HydrophobicContact CE-CE1 3.27Å; M741-F789 HydrophobicContact CE-CZ 3.97Å; M741-F789 HydrophobicContact SD-CD1 3.74Å; M741-F789 HydrophobicContact SD-CE1 3.53Å; M741-F789 VanDerWaalsContact SD-CE1 3.53Å |
| 742 | M | 92.8 | Very high | 92 | Very high | 18 Ų | 18 | 34.6 Ų | 34.6 | 9% | 0.089 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.4 | -44.3 | 174.1 | -67.4 | 171.2 | 169.7 | 0 | 0 | 111.5 | L681 E685 Y688 T738 S739 E745 W746 | L681-M742 HydrophobicContact CD2-SD 4.45Å; E685-M742 HydrophobicContact CG-CE 3.87Å; Y688-M742 HydrophobicContact CD1-CB 4.1Å; Y688-M742 HydrophobicContact CD2-CB 4.35Å; Y688-M742 HydrophobicContact CD2-SD 4.49Å; Y688-M742 HydrophobicContact CE1-CB 3.95Å; Y688-M742 HydrophobicContact CE2-CB 4.24Å; Y688-M742 HydrophobicContact CG-CB 4.3Å; Y688-M742 HydrophobicContact CG-SD 4.23Å; T738-M742 PolarHBondContact O-N 3.34Å; S739-M742 PolarHBondContact O-N 3.3Å; M742-E745 PolarHBondContact O-N 3.5Å; M742-W746 VanDerWaalsContact O-CB 3.3Å; M742-W746 WeakPolarHBondContact O-CB 3.49Å; M742-W746 PolarHBondContact O-N 2.88Å |
| 743 | L | 94.2 | Very high | 92 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.8 | -40.9 | 175.2 | -179.3 | 66.2 | 0 | 0 | 0 | 113.2 | Y688 M692 I730 A731 F734 S739 F740 M741 W746 I747 L779 | Y688-L743 VanDerWaalsContact OH-CA 3.29Å; Y688-L743 WeakPolarHBondContact OH-CA 3.22Å; M692-L743 HydrophobicContact CE-CD1 4.17Å; I730-L743 HydrophobicContact CG2-CD1 4.39Å; I730-L743 HydrophobicContact CG2-CD2 4.41Å; A731-L743 HydrophobicContact CB-CD2 3.86Å; F734-L743 HydrophobicContact CD2-CB 3.85Å; F734-L743 HydrophobicContact CD2-CD2 4.12Å; F734-L743 HydrophobicContact CE2-CB 4.12Å; S739-L743 PolarHBondContact O-N 3.42Å; S739-L743 VanDerWaalsContact O-N 3.15Å; F740-L743 PolarHBondContact O-N 2.97Å; M741-L743 VanDerWaalsContact C-N 3.26Å; M741-L743 PolarHBondContact O-N 2.86Å; L743-W746 HydrophobicContact CD1-CE3 4.26Å; L743-I747 WeakPolarHBondContact O-CG2 3.38Å; L743-I747 PolarHBondContact O-N 3.46Å; L743-L779 HydrophobicContact CD2-CD2 4.23Å |
| 744 | F | 92.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.1 | -42.5 | 179 | -178.1 | -106.8 | 0 | 0 | 0 | 111.8 | F740 M741 W746 I747 Y748 N795 L798 L799 | F740-F744 HydrophobicContact CE1-CB 4.48Å; F740-F744 WeakPolarHBondContact O-CB 3.42Å; F740-F744 PolarHBondContact O-N 3.01Å; M741-F744 PolarHBondContact O-N 3.47Å; F744-W746 VanDerWaalsContact C-N 3.34Å; F744-I747 WeakPolarHBondContact O-CG2 3.06Å; F744-I747 PolarHBondContact O-N 3.31Å; F744-Y748 HydrophobicContact CZ-CD1 4.4Å; F744-Y748 HydrophobicContact CZ-CG 4.11Å; F744-Y748 WeakPolarHBondContact O-CB 3.28Å; F744-Y748 PolarHBondContact O-N 3.21Å; F744-N795 HydrophobicContact CD1-CB 4.18Å; F744-N795 HydrophobicContact CE1-CB 3.69Å; F744-L798 HydrophobicContact CZ-CB 4.32Å; F744-L799 HydrophobicContact CD2-CD1 4.28Å; F744-L799 HydrophobicContact CE2-CB 3.83Å; F744-L799 HydrophobicContact CE2-CD1 3.84Å; F744-L799 HydrophobicContact CE2-CG 4.35Å; F744-L799 HydrophobicContact CZ-CB 4.05Å |
| 745 | E | 91.7 | Very high | 92 | Very high | 119 Ų | 119 | 35.6 Ų | 35.6 | 56% | 0.556 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -68.5 | -33.1 | 177.5 | -70.3 | 176.6 | 173.2 | 0 | 0 | 112.2 | M741 M742 | M741-E745 WeakPolarHBondContact O-CG 3.5Å; M741-E745 PolarHBondContact O-N 3.07Å; M742-E745 PolarHBondContact O-N 3.5Å |
| 746 | W | 94.1 | Very high | 92.2 | Very high | 39 Ų | 39 | 34.7 Ų | 34.7 | 15% | 0.148 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.9 | -39.6 | 173.5 | 178.2 | 86.1 | 0 | 0 | 0 | 112.8 | Y688 M692 L695 T696 F699 L727 M742 L743 F744 Y751 | Y688-W746 HydrophobicContact CE1-CB 4.1Å; Y688-W746 HydrophobicContact CE1-CG 4.44Å; Y688-W746 WeakPolarHBondContact OH-CB 3.44Å; M692-W746 HydrophobicContact CE-CD2 3.58Å; M692-W746 HydrophobicContact CE-CE3 3.48Å; M692-W746 VanDerWaalsContact CE-CE3 3.48Å; M692-W746 HydrophobicContact CE-CG 4.36Å; M692-W746 HydrophobicContact CE-CH2 3.51Å; M692-W746 HydrophobicContact CE-CZ2 3.64Å; M692-W746 HydrophobicContact CE-CZ3 3.45Å; M692-W746 VanDerWaalsContact CE-CZ3 3.45Å; L695-W746 HydrophobicContact CB-CH2 4.03Å; L695-W746 HydrophobicContact CB-CZ2 4.16Å; T696-W746 PolarHBondContact OG1-NE1 2.89Å; T696-W746 VanDerWaalsContact OG1-NE1 3.08Å; F699-W746 AromaticContact CD2-CH2 3.44Å; F699-W746 HydrophobicContact CD2-CH2 3.44Å; F699-W746 VanDerWaalsContact CD2-CH2 3.44Å; F699-W746 HydrophobicContact CD2-CZ2 4.12Å; F699-W746 HydrophobicContact CD2-CZ3 4.09Å; F699-W746 AromaticContact CE2-CH2 3.48Å; F699-W746 HydrophobicContact CE2-CH2 3.48Å; F699-W746 VanDerWaalsContact CE2-CH2 3.48Å; F699-W746 AromaticContact CE2-CZ3 3.68Å; F699-W746 HydrophobicContact CE2-CZ3 3.68Å; L727-W746 HydrophobicContact CD1-CZ3 4.43Å; L727-W746 HydrophobicContact CD2-CH2 3.83Å; L727-W746 HydrophobicContact CD2-CZ3 3.51Å; M742-W746 VanDerWaalsContact O-CB 3.3Å; M742-W746 WeakPolarHBondContact O-CB 3.49Å; M742-W746 PolarHBondContact O-N 2.88Å; L743-W746 HydrophobicContact CD1-CE3 4.26Å; F744-W746 VanDerWaalsContact C-N 3.34Å; W746-Y751 HydrophobicContact CD2-CD2 4.47Å; W746-Y751 HydrophobicContact CD2-CE2 4.26Å; W746-Y751 AromaticContact CE2-CE2 3.9Å; W746-Y751 HydrophobicContact CE3-CD2 4.44Å; W746-Y751 HydrophobicContact CH2-CD2 4.44Å; W746-Y751 HydrophobicContact CH2-CE2 4.49Å; W746-Y751 HydrophobicContact CZ2-CD2 4.43Å; W746-Y751 HydrophobicContact CZ2-CE2 4.04Å; W746-Y751 HydrophobicContact CZ3-CD2 4.42Å; W746-Y751 WeakPolarHBondContact O-CD2 3.5Å; W746-Y751 WeakPolarHBondContact O-CE2 3.49Å |
| 747 | I | 94 | Very high | 92.3 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -82.2 | -36.6 | -177.2 | -160.7 | 168.5 | 0 | 0 | 0 | 113.6 | L743 F744 Y751 M752 L755 L779 | L743-I747 WeakPolarHBondContact O-CG2 3.38Å; L743-I747 PolarHBondContact O-N 3.46Å; F744-I747 WeakPolarHBondContact O-CG2 3.06Å; F744-I747 PolarHBondContact O-N 3.31Å; I747-Y751 PolarHBondContact O-N 2.52Å; I747-M752 HydrophobicContact CD1-CE 4.02Å; I747-M752 HydrophobicContact CG1-CE 4.1Å; I747-M752 HydrophobicContact CG2-CE 3.69Å; I747-M752 PolarHBondContact O-N 2.88Å; I747-L755 HydrophobicContact CD1-CD1 4.32Å; I747-L779 HydrophobicContact CD1-CD1 4.12Å |
| 748 | Y | 91.4 | Very high | 92.4 | Very high | 48 Ų | 48 | 35 Ų | 35 | 19% | 0.188 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 133.4 | -177.3 | 176.2 | -85.7 | 0 | 0 | 0 | 110.6 | F744 M752 L798 E802 | F744-Y748 HydrophobicContact CZ-CD1 4.4Å; F744-Y748 HydrophobicContact CZ-CG 4.11Å; F744-Y748 WeakPolarHBondContact O-CB 3.28Å; F744-Y748 PolarHBondContact O-N 3.21Å; Y748-M752 HydrophobicContact CD2-CG 4.37Å; Y748-L798 HydrophobicContact CE1-CB 4.48Å; Y748-L798 HydrophobicContact CE1-CD1 3.74Å; Y748-L798 HydrophobicContact CE2-CB 4.45Å; Y748-L798 WeakPolarHBondContact OH-CD2 3.28Å; Y748-E802 HydrophobicContact CD2-CG 3.91Å; Y748-E802 HydrophobicContact CE2-CG 3.84Å |
| 749 | P | 90.6 | Very high | 92.6 | Very high | 77 Ų | 77 | 32.1 Ų | 32.1 | 50% | 0.5 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -93.2 | -10.2 | 3.7 | 35 | -34.6 | 0 | 0 | 0 | 114.1 | Y751 P753 | P749-Y751 PolarHBondContact O-N 3.03Å; P749-P753 WeakPolarHBondContact O-CD 3.37Å |
| 750 | S | 90.1 | Very high | 92.6 | Very high | 81 Ų | 81 | 34.7 Ų | 34.7 | 57% | 0.566 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -40.6 | -160.7 | -55.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 751 | Y | 92.8 | Very high | 92.6 | Very high | 33 Ų | 33 | 37.2 Ų | 37.2 | 13% | 0.129 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -15.8 | -170.5 | -56.3 | -52.9 | 0 | 0 | 0 | 114.1 | T696 F699 W746 I747 P749 I754 L755 | T696-Y751 WeakPolarHBondContact CG2-OH 3.27Å; F699-Y751 HydrophobicContact CB-CD1 3.64Å; F699-Y751 HydrophobicContact CB-CE1 3.68Å; F699-Y751 HydrophobicContact CB-CG 4.21Å; F699-Y751 AromaticContact CD1-CD1 3.97Å; F699-Y751 HydrophobicContact CD1-CD1 3.97Å; F699-Y751 HydrophobicContact CD1-CG 4.04Å; F699-Y751 HydrophobicContact CD2-CD1 4.12Å; F699-Y751 AromaticContact CD2-CD2 3.95Å; F699-Y751 HydrophobicContact CD2-CD2 3.95Å; F699-Y751 HydrophobicContact CD2-CE2 4.43Å; F699-Y751 AromaticContact CD2-CG 3.8Å; F699-Y751 HydrophobicContact CD2-CG 3.8Å; F699-Y751 HydrophobicContact CE1-CG 4.38Å; F699-Y751 HydrophobicContact CE2-CD2 4.25Å; F699-Y751 HydrophobicContact CE2-CG 4.11Å; F699-Y751 AromaticContact CG-CD1 3.65Å; F699-Y751 HydrophobicContact CG-CD1 3.65Å; F699-Y751 HydrophobicContact CG-CD2 4.33Å; F699-Y751 HydrophobicContact CG-CE1 4.16Å; F699-Y751 AromaticContact CG-CG 3.76Å; F699-Y751 HydrophobicContact CG-CG 3.76Å; F699-Y751 HydrophobicContact CZ-CG 4.41Å; W746-Y751 HydrophobicContact CD2-CD2 4.47Å; W746-Y751 HydrophobicContact CD2-CE2 4.26Å; W746-Y751 AromaticContact CE2-CE2 3.9Å; W746-Y751 HydrophobicContact CE3-CD2 4.44Å; W746-Y751 HydrophobicContact CH2-CD2 4.44Å; W746-Y751 HydrophobicContact CH2-CE2 4.49Å; W746-Y751 HydrophobicContact CZ2-CD2 4.43Å; W746-Y751 HydrophobicContact CZ2-CE2 4.04Å; W746-Y751 HydrophobicContact CZ3-CD2 4.42Å; W746-Y751 WeakPolarHBondContact O-CD2 3.5Å; W746-Y751 WeakPolarHBondContact O-CE2 3.49Å; I747-Y751 PolarHBondContact O-N 2.52Å; P749-Y751 PolarHBondContact O-N 3.03Å; Y751-I754 HydrophobicContact CD1-CD1 3.85Å; Y751-I754 WeakPolarHBondContact O-CB 3.41Å; Y751-I754 PolarHBondContact O-N 3.48Å; Y751-I754 VanDerWaalsContact O-N 3.15Å; Y751-L755 PolarHBondContact O-N 3.16Å |
| 752 | M | 92.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.1 | -42.2 | 175.1 | -73.6 | -70.3 | -178.1 | 0 | 0 | 113.9 | I747 Y748 I754 L755 Q756 M776 L779 | I747-M752 HydrophobicContact CD1-CE 4.02Å; I747-M752 HydrophobicContact CG1-CE 4.1Å; I747-M752 HydrophobicContact CG2-CE 3.69Å; I747-M752 PolarHBondContact O-N 2.88Å; Y748-M752 HydrophobicContact CD2-CG 4.37Å; M752-I754 VanDerWaalsContact C-N 3.28Å; M752-I754 PolarHBondContact O-N 3.16Å; M752-L755 PolarHBondContact O-N 3.31Å; M752-Q756 WeakPolarHBondContact O-CG 3.47Å; M752-Q756 PolarHBondContact O-N 3.2Å; M752-Q756 VanDerWaalsContact O-N 3.13Å; M752-M776 HydrophobicContact CE-CE 4.36Å; M752-M776 HydrophobicContact CE-SD 4.2Å; M752-M776 HydrophobicContact SD-CE 4.17Å; M752-M776 HydrophobicContact SD-SD 3.91Å; M752-L779 HydrophobicContact CE-CD1 3.92Å |
| 753 | P | 93.6 | Very high | 92.5 | Very high | 72 Ų | 72 | 38.3 Ų | 38.3 | 47% | 0.468 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.3 | -31.6 | 176 | -26 | 35.6 | 0 | 0 | 0 | 114 | P749 Q756 R757 | P749-P753 WeakPolarHBondContact O-CD 3.37Å; P753-Q756 PolarHBondContact O-N 3.07Å; P753-R757 WeakPolarHBondContact O-CB 3.49Å; P753-R757 PolarHBondContact O-N 3.2Å |
| 754 | I | 93 | Very high | 92.3 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 9% | 0.092 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.8 | -45.5 | 178.2 | -57.4 | 172.1 | 0 | 0 | 0 | 109.8 | F699 V702 A703 F706 Y751 M752 Q756 R757 A758 | F699-I754 HydrophobicContact CD1-CD1 3.93Å; F699-I754 HydrophobicContact CD1-CG2 4.5Å; V702-I754 HydrophobicContact CB-CG2 4.42Å; V702-I754 HydrophobicContact CG1-CG2 3.68Å; A703-I754 HydrophobicContact CB-CD1 3.72Å; A703-I754 HydrophobicContact CB-CG1 4.36Å; F706-I754 HydrophobicContact CD2-CG2 3.93Å; F706-I754 HydrophobicContact CE2-CG2 3.69Å; Y751-I754 HydrophobicContact CD1-CD1 3.85Å; Y751-I754 WeakPolarHBondContact O-CB 3.41Å; Y751-I754 PolarHBondContact O-N 3.48Å; Y751-I754 VanDerWaalsContact O-N 3.15Å; M752-I754 VanDerWaalsContact C-N 3.28Å; M752-I754 PolarHBondContact O-N 3.16Å; I754-Q756 VanDerWaalsContact C-N 3.32Å; I754-Q756 PolarHBondContact O-N 2.95Å; I754-R757 PolarHBondContact O-N 3.23Å; I754-A758 PolarHBondContact O-N 3.15Å |
| 755 | L | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 177.3 | -60.8 | -178 | 0 | 0 | 0 | 111.7 | F699 L720 V724 I747 Y751 M752 A758 I759 V772 L775 M776 M806 | F699-L755 HydrophobicContact CE1-CD2 4.09Å; F699-L755 HydrophobicContact CE1-CG 4.43Å; F699-L755 HydrophobicContact CZ-CD2 4.37Å; L720-L755 HydrophobicContact CD1-CD2 3.98Å; V724-L755 HydrophobicContact CG2-CD2 3.82Å; I747-L755 HydrophobicContact CD1-CD1 4.32Å; Y751-L755 PolarHBondContact O-N 3.16Å; M752-L755 PolarHBondContact O-N 3.31Å; L755-A758 PolarHBondContact O-N 3.42Å; L755-I759 PolarHBondContact O-N 3.34Å; L755-V772 HydrophobicContact CB-CG1 4.13Å; L755-V772 HydrophobicContact CD2-CG1 4.48Å; L755-L775 HydrophobicContact CD1-CD2 4.08Å; L755-M776 HydrophobicContact CD1-SD 4.48Å; L755-M806 HydrophobicContact CB-CE 3.98Å |
| 756 | Q | 93.5 | Very high | 92.1 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 11% | 0.107 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -47.7 | 175.5 | -71.3 | 173.3 | 22.8 | 0 | 0 | 111 | M752 P753 I754 A758 I759 E760 E802 M806 M809 | M752-Q756 WeakPolarHBondContact O-CG 3.47Å; M752-Q756 PolarHBondContact O-N 3.2Å; M752-Q756 VanDerWaalsContact O-N 3.13Å; P753-Q756 PolarHBondContact O-N 3.07Å; I754-Q756 VanDerWaalsContact C-N 3.32Å; I754-Q756 PolarHBondContact O-N 2.95Å; Q756-A758 VanDerWaalsContact C-N 3.28Å; Q756-A758 PolarHBondContact O-N 3.33Å; Q756-I759 PolarHBondContact O-N 2.87Å; Q756-I759 VanDerWaalsContact O-N 3.15Å; Q756-E760 PolarHBondContact O-N 3.47Å; Q756-E802 PolarHBondContact NE2-OE2 3.21Å; Q756-M806 HydrophobicContact CG-CE 3.74Å; Q756-M809 HydrophobicContact CB-CE 3.96Å; Q756-M809 HydrophobicContact CB-SD 3.79Å; Q756-M809 HydrophobicContact CG-CE 4.43Å; Q756-M809 HydrophobicContact CG-SD 4.5Å |
| 757 | R | 91.8 | Very high | 91.9 | Very high | 109 Ų | 109 | 39.6 Ų | 39.6 | 41% | 0.411 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.9 | -39.3 | 177.7 | -176.5 | 55.9 | 175.5 | 166.7 | 0.6 | 112.3 | F706 P753 I754 E760 L761 | F706-R757 HydrophobicContact CD2-CB 4.27Å; F706-R757 HydrophobicContact CD2-CG 4.01Å; F706-R757 HydrophobicContact CE2-CB 4.32Å; F706-R757 HydrophobicContact CE2-CG 4.31Å; F706-R757 HydrophobicContact CG-CG 4.39Å; P753-R757 WeakPolarHBondContact O-CB 3.49Å; P753-R757 PolarHBondContact O-N 3.2Å; I754-R757 PolarHBondContact O-N 3.23Å; R757-E760 IonicContact CZ-OE2 2.93Å; R757-E760 IonicContact NH1-OE2 3.87Å; R757-E760 PolarHBondContact NH1-OE2 3.13Å; R757-E760 PolarHBondContact O-N 3.28Å; R757-L761 HydrophobicContact CG-CD1 4.1Å; R757-L761 WeakPolarHBondContact O-CG 3.48Å; R757-L761 PolarHBondContact O-N 3.38Å |
| 758 | A | 92.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -43 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | F706 L720 I754 L755 Q756 E760 L761 W762 | F706-A758 HydrophobicContact CE2-CB 4.21Å; F706-A758 HydrophobicContact CZ-CB 3.93Å; L720-A758 HydrophobicContact CD2-CB 3.24Å; I754-A758 PolarHBondContact O-N 3.15Å; L755-A758 PolarHBondContact O-N 3.42Å; Q756-A758 VanDerWaalsContact C-N 3.28Å; Q756-A758 PolarHBondContact O-N 3.33Å; A758-E760 VanDerWaalsContact C-N 3.32Å; A758-L761 PolarHBondContact O-N 3.22Å; A758-W762 HydrophobicContact CB-CE3 4.15Å; A758-W762 HydrophobicContact CB-CZ3 4.23Å; A758-W762 PolarHBondContact O-N 3.44Å |
| 759 | I | 94.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -40.5 | 174.7 | -72.2 | -60.5 | 0 | 0 | 0 | 111.1 | L755 Q756 Y763 T769 V772 L773 M806 M809 Y810 | L755-I759 PolarHBondContact O-N 3.34Å; Q756-I759 PolarHBondContact O-N 2.87Å; Q756-I759 VanDerWaalsContact O-N 3.15Å; I759-Y763 WeakPolarHBondContact O-CA 3.49Å; I759-Y763 WeakPolarHBondContact O-CB 3.37Å; I759-Y763 PolarHBondContact O-N 3.37Å; I759-Y763 VanDerWaalsContact O-N 3.09Å; I759-T769 HydrophobicContact CD1-CG2 3.76Å; I759-V772 HydrophobicContact CD1-CB 3.92Å; I759-V772 HydrophobicContact CD1-CG1 3.93Å; I759-V772 HydrophobicContact CG1-CB 4.32Å; I759-V772 HydrophobicContact CG1-CG1 3.78Å; I759-L773 HydrophobicContact CD1-CD2 4.41Å; I759-L773 HydrophobicContact CD1-CG 4.27Å; I759-M806 HydrophobicContact CB-SD 4.25Å; I759-M806 HydrophobicContact CG1-SD 3.65Å; I759-M806 HydrophobicContact CG2-SD 4.5Å; I759-M809 HydrophobicContact CG2-CG 4.37Å; I759-Y810 HydrophobicContact CG2-CD2 4.07Å; I759-Y810 HydrophobicContact CG2-CG 4.41Å |
| 760 | E | 91.9 | Very high | 91.9 | Very high | 57 Ų | 57 | 34.1 Ų | 34.1 | 27% | 0.266 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 177.9 | -170.5 | -177.6 | -161.3 | 0 | 0 | 112.4 | Q756 R757 A758 M809 R813 | Q756-E760 PolarHBondContact O-N 3.47Å; R757-E760 IonicContact CZ-OE2 2.93Å; R757-E760 IonicContact NH1-OE2 3.87Å; R757-E760 PolarHBondContact NH1-OE2 3.13Å; R757-E760 PolarHBondContact O-N 3.28Å; A758-E760 VanDerWaalsContact C-N 3.32Å; E760-M809 HydrophobicContact CB-CG 4.48Å; E760-M809 HydrophobicContact CB-SD 4.03Å; E760-R813 IonicContact OE1-CZ 2.76Å; E760-R813 IonicContact OE1-NH2 3.82Å; E760-R813 PolarHBondContact OE1-NH2 3.06Å |
| 761 | L | 90.6 | Very high | 92 | Very high | 53 Ų | 53 | 30.3 Ų | 30.3 | 28% | 0.277 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -73.8 | -41.8 | -178.7 | -70.6 | 173.3 | 0 | 0 | 0 | 112.6 | F706 R757 A758 | F706-L761 HydrophobicContact CD1-CD1 4.21Å; F706-L761 HydrophobicContact CE1-CD1 4.05Å; R757-L761 HydrophobicContact CG-CD1 4.1Å; R757-L761 WeakPolarHBondContact O-CG 3.48Å; R757-L761 PolarHBondContact O-N 3.38Å; A758-L761 PolarHBondContact O-N 3.22Å |
| 762 | W | 92.7 | Very high | 92.2 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 3% | 0.027 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -115.3 | 24.3 | -167.1 | -57.8 | -39.2 | 0 | 0 | 0 | 114.2 | F706 F711 E713 A716 K717 L720 A758 H764 D765 C768 T769 | F706-W762 AromaticContact CE1-CH2 3.75Å; F706-W762 HydrophobicContact CE1-CH2 3.75Å; F706-W762 HydrophobicContact CE1-CZ2 4.16Å; F706-W762 HydrophobicContact CE1-CZ3 4.34Å; F706-W762 HydrophobicContact CZ-CH2 4.01Å; F706-W762 HydrophobicContact CZ-CZ3 4.15Å; F711-W762 HydrophobicContact CE2-CZ2 4.07Å; F711-W762 HydrophobicContact CZ-CZ2 4.4Å; E713-W762 HydrophobicContact CG-CZ2 4.01Å; E713-W762 PolarHBondContact OE1-NE1 3.38Å; E713-W762 VanDerWaalsContact OE1-NE1 3.13Å; A716-W762 HydrophobicContact CB-CH2 3.89Å; A716-W762 HydrophobicContact CB-CZ2 4.27Å; K717-W762 HydrophobicContact CB-CH2 4.34Å; K717-W762 HydrophobicContact CB-CZ3 4.46Å; K717-W762 HydrophobicContact CD-CD2 4.43Å; K717-W762 VanDerWaalsContact CE-NE1 3.31Å; K717-W762 HydrophobicContact CG-CD2 3.86Å; K717-W762 HydrophobicContact CG-CE3 3.9Å; K717-W762 HydrophobicContact CG-CH2 3.61Å; K717-W762 HydrophobicContact CG-CZ2 3.56Å; K717-W762 HydrophobicContact CG-CZ3 3.77Å; L720-W762 HydrophobicContact CB-CZ3 4.45Å; L720-W762 HydrophobicContact CD2-CE3 4.13Å; L720-W762 HydrophobicContact CD2-CZ3 3.61Å; A758-W762 HydrophobicContact CB-CE3 4.15Å; A758-W762 HydrophobicContact CB-CZ3 4.23Å; A758-W762 PolarHBondContact O-N 3.44Å; W762-H764 PolarHBondContact O-N 3.32Å; W762-D765 HydrophobicContact CB-CB 4.42Å; W762-D765 PolarHBondContact O-N 2.99Å; W762-C768 HydrophobicContact CB-CB 4.23Å; W762-C768 HydrophobicContact CE3-CB 4.08Å; W762-T769 WeakPolarHBondContact O-CG2 3.41Å |
| 763 | Y | 90.5 | Very high | 92.3 | Very high | 56 Ų | 56 | 28.7 Ų | 28.7 | 22% | 0.22 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -28.6 | -179.1 | 69.9 | -86.9 | 0 | 0 | 0 | 114.6 | I759 R813 L817 | I759-Y763 WeakPolarHBondContact O-CA 3.49Å; I759-Y763 WeakPolarHBondContact O-CB 3.37Å; I759-Y763 PolarHBondContact O-N 3.37Å; I759-Y763 VanDerWaalsContact O-N 3.09Å; Y763-R813 HydrophobicContact CD1-CB 4.1Å; Y763-R813 HydrophobicContact CD2-CB 4.02Å; Y763-R813 WeakPolarHBondContact CD2-O 3.36Å; Y763-R813 WeakPolarHBondContact CE2-O 3.36Å; Y763-R813 HydrophobicContact CG-CB 3.72Å; Y763-L817 HydrophobicContact CE2-CD1 4.18Å |
| 764 | H | 89.6 | Confident | 92.4 | Very high | 86 Ų | 86 | 28.4 Ų | 28.4 | 40% | 0.398 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -7.3 | 179.9 | 59.5 | -86 | 0 | 0 | 0 | 114 | W762 P766 L817 | W762-H764 PolarHBondContact O-N 3.32Å; H764-P766 WeakPolarHBondContact O-CD 3.49Å; H764-L817 HydrophobicContact CB-CD1 3.95Å |
| 765 | D | 90.9 | Very high | 92.6 | Very high | 34 Ų | 34 | 27.6 Ų | 27.6 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | trans | -111.6 | 100.1 | -178.2 | -175.3 | -12.3 | 0 | 0 | 0 | 110.7 | K717 W762 A767 C768 T769 | K717-D765 WeakPolarHBondContact CE-OD2 3.3Å; K717-D765 IonicContact NZ-OD2 3.53Å; K717-D765 PolarHBondContact NZ-OD2 3.46Å; W762-D765 HydrophobicContact CB-CB 4.42Å; W762-D765 PolarHBondContact O-N 2.99Å; D765-A767 PolarHBondContact O-N 2.76Å; D765-A767 VanDerWaalsContact OD1-CB 3.3Å; D765-A767 WeakPolarHBondContact OD1-CB 3.43Å; D765-A767 PolarHBondContact OD1-N 2.87Å; D765-C768 PolarHBondContact O-N 3.47Å; D765-T769 WeakPolarHBondContact O-CG2 3.03Å; D765-T769 PolarHBondContact O-N 2.99Å; D765-T769 PolarHBondContact O-OG1 2.96Å | ||
| 766 | P | 89.9 | Confident | 92.7 | Very high | 28 Ų | 28 | 27.7 Ų | 27.7 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.3 | -25.2 | 179.5 | -25.2 | 35.2 | 0 | 0 | 0 | 114.5 | H764 C768 T769 T770 A827 L828 | H764-P766 WeakPolarHBondContact O-CD 3.49Å; P766-C768 PolarHBondContact O-N 3.37Å; P766-T769 WeakPolarHBondContact CA-OG1 3.25Å; P766-T770 WeakPolarHBondContact O-CB 3.25Å; P766-T770 PolarHBondContact O-N 2.81Å; P766-T770 PolarHBondContact O-OG1 3.29Å; P766-A827 WeakPolarHBondContact CB-O 3.4Å; P766-A827 WeakPolarHBondContact CG-O 3.45Å; P766-L828 HydrophobicContact CG-CD2 3.81Å |
| 767 | A | 88 | Confident | 92.8 | Very high | 43 Ų | 43 | 27.5 Ų | 27.5 | 36% | 0.355 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -65.2 | -30.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L660 D765 P771 | L660-A767 HydrophobicContact CB-CB 4.48Å; L660-A767 HydrophobicContact CD1-CB 3.74Å; D765-A767 PolarHBondContact O-N 2.76Å; D765-A767 VanDerWaalsContact OD1-CB 3.3Å; D765-A767 WeakPolarHBondContact OD1-CB 3.43Å; D765-A767 PolarHBondContact OD1-N 2.87Å; A767-P771 WeakPolarHBondContact O-CD 3.28Å; A767-P771 VanDerWaalsContact O-CG 3.27Å; A767-P771 WeakPolarHBondContact O-CG 3.47Å |
| 768 | C | 90.1 | Very high | 93 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.02 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -93.1 | -45 | 177.7 | -59.6 | 0 | 0 | 0 | 0 | 112.8 | K717 V721 W762 D765 P766 P771 V772 | K717-C768 VanDerWaalsContact CD-SG 3.53Å; K717-C768 WeakPolarHBondContact CG-SG 3.37Å; V721-C768 HydrophobicContact CG2-CB 4.44Å; W762-C768 HydrophobicContact CB-CB 4.23Å; W762-C768 HydrophobicContact CE3-CB 4.08Å; D765-C768 PolarHBondContact O-N 3.47Å; P766-C768 PolarHBondContact O-N 3.37Å; C768-P771 WeakPolarHBondContact O-CD 3.46Å; C768-V772 WeakPolarHBondContact O-CG2 3.32Å |
| 769 | T | 92.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -73 | -38.8 | -174.8 | 54.2 | 0 | 0 | 0 | 0 | 113 | I759 W762 D765 P766 V772 L773 Y810 | I759-T769 HydrophobicContact CD1-CG2 3.76Å; W762-T769 WeakPolarHBondContact O-CG2 3.41Å; D765-T769 WeakPolarHBondContact O-CG2 3.03Å; D765-T769 PolarHBondContact O-N 2.99Å; D765-T769 PolarHBondContact O-OG1 2.96Å; P766-T769 WeakPolarHBondContact CA-OG1 3.25Å; T769-V772 PolarHBondContact O-N 3.13Å; T769-L773 WeakPolarHBondContact O-CG 3.46Å; T769-L773 PolarHBondContact O-N 2.89Å; T769-Y810 HydrophobicContact CG2-CE2 4.27Å |
| 770 | T | 93.5 | Very high | 93.1 | Very high | 6 Ų | 6 | 23 Ų | 23 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.9 | -48.4 | -177.6 | -66.2 | 0 | 0 | 0 | 0 | 112.4 | P766 V772 K774 I835 | P766-T770 WeakPolarHBondContact O-CB 3.25Å; P766-T770 PolarHBondContact O-N 2.81Å; P766-T770 PolarHBondContact O-OG1 3.29Å; T770-V772 PolarHBondContact O-N 3.24Å; T770-K774 HydrophobicContact CG2-CD 4.06Å; T770-K774 HydrophobicContact CG2-CG 4.39Å; T770-K774 WeakPolarHBondContact O-CB 3.33Å; T770-K774 VanDerWaalsContact O-CG 3.28Å; T770-K774 WeakPolarHBondContact O-CG 3.42Å; T770-K774 PolarHBondContact O-N 3.23Å; T770-I835 HydrophobicContact CG2-CD1 3.83Å |
| 771 | P | 93.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.8 | -45.8 | 174.3 | -26 | 33.8 | 0 | 0 | 0 | 113.3 | V721 V724 A767 C768 K774 L775 | V721-P771 HydrophobicContact CG1-CG 4.14Å; V721-P771 HydrophobicContact CG2-CG 4.43Å; V724-P771 HydrophobicContact CB-CB 4.48Å; V724-P771 HydrophobicContact CG1-CB 3.78Å; V724-P771 VanDerWaalsContact CG1-O 3.25Å; V724-P771 WeakPolarHBondContact CG1-O 3.49Å; A767-P771 WeakPolarHBondContact O-CD 3.28Å; A767-P771 VanDerWaalsContact O-CG 3.27Å; A767-P771 WeakPolarHBondContact O-CG 3.47Å; C768-P771 WeakPolarHBondContact O-CD 3.46Å; P771-K774 PolarHBondContact O-N 2.57Å; P771-L775 PolarHBondContact O-N 2.91Å |
| 772 | V | 95.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.2 | -47.9 | -177.3 | 177 | 0 | 0 | 0 | 0 | 110.8 | L720 V724 L755 I759 C768 T769 T770 K774 L775 M776 M806 | L720-V772 HydrophobicContact CD2-CG2 4.18Å; V724-V772 HydrophobicContact CG1-CG2 4.24Å; V724-V772 HydrophobicContact CG2-CG2 3.97Å; L755-V772 HydrophobicContact CB-CG1 4.13Å; L755-V772 HydrophobicContact CD2-CG1 4.48Å; I759-V772 HydrophobicContact CD1-CB 3.92Å; I759-V772 HydrophobicContact CD1-CG1 3.93Å; I759-V772 HydrophobicContact CG1-CB 4.32Å; I759-V772 HydrophobicContact CG1-CG1 3.78Å; C768-V772 WeakPolarHBondContact O-CG2 3.32Å; T769-V772 PolarHBondContact O-N 3.13Å; T770-V772 PolarHBondContact O-N 3.24Å; V772-K774 VanDerWaalsContact C-N 3.26Å; V772-K774 PolarHBondContact O-N 3.08Å; V772-L775 PolarHBondContact O-N 3.47Å; V772-M776 PolarHBondContact O-N 2.87Å; V772-M806 HydrophobicContact CG1-CE 4.35Å |
| 773 | L | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.2 | -36.7 | 175.8 | -66.5 | 175.3 | 0 | 0 | 0 | 111.7 | I759 T769 M776 A777 M806 Y810 I835 M839 | I759-L773 HydrophobicContact CD1-CD2 4.41Å; I759-L773 HydrophobicContact CD1-CG 4.27Å; T769-L773 WeakPolarHBondContact O-CG 3.46Å; T769-L773 PolarHBondContact O-N 2.89Å; L773-M776 PolarHBondContact O-N 3.23Å; L773-A777 WeakPolarHBondContact O-CB 3.39Å; L773-A777 PolarHBondContact O-N 3.03Å; L773-M806 HydrophobicContact CD2-CG 4.14Å; L773-Y810 HydrophobicContact CD1-CD1 3.93Å; L773-Y810 HydrophobicContact CD1-CD2 4.07Å; L773-Y810 HydrophobicContact CD1-CE1 3.89Å; L773-Y810 HydrophobicContact CD1-CE2 4.05Å; L773-Y810 HydrophobicContact CD1-CG 4.01Å; L773-Y810 HydrophobicContact CD2-CG 4.2Å; L773-I835 HydrophobicContact CB-CB 4.37Å; L773-I835 HydrophobicContact CB-CG2 3.68Å; L773-M839 HydrophobicContact CB-CE 4.36Å; L773-M839 HydrophobicContact CD2-CE 4.16Å; L773-M839 VanDerWaalsContact O-CE 3.22Å; L773-M839 WeakPolarHBondContact O-CE 3.27Å |
| 774 | K | 95.7 | Very high | 92.9 | Very high | 66 Ų | 66 | 27.3 Ų | 27.3 | 29% | 0.287 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -71 | -33.2 | 176.6 | -77.5 | -174.4 | 175.5 | -165.8 | 0 | 113.6 | T770 P771 V772 E778 I835 | T770-K774 HydrophobicContact CG2-CD 4.06Å; T770-K774 HydrophobicContact CG2-CG 4.39Å; T770-K774 WeakPolarHBondContact O-CB 3.33Å; T770-K774 VanDerWaalsContact O-CG 3.28Å; T770-K774 WeakPolarHBondContact O-CG 3.42Å; T770-K774 PolarHBondContact O-N 3.23Å; P771-K774 PolarHBondContact O-N 2.57Å; V772-K774 VanDerWaalsContact C-N 3.26Å; V772-K774 PolarHBondContact O-N 3.08Å; K774-E778 PolarHBondContact O-N 3.14Å; K774-I835 HydrophobicContact CG-CD1 3.97Å; K774-I835 HydrophobicContact CG-CG1 4.44Å; K774-I835 HydrophobicContact CG-CG2 4.38Å |
| 775 | L | 96.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.5 | -49.3 | 171.3 | 170.8 | 62.5 | 0 | 0 | 0 | 109.7 | V724 L727 R728 A731 L755 P771 V772 A777 E778 L779 | V724-L775 HydrophobicContact CB-CD2 4.44Å; V724-L775 HydrophobicContact CG1-CB 3.8Å; V724-L775 HydrophobicContact CG1-CD2 3.97Å; V724-L775 HydrophobicContact CG2-CD2 4.35Å; L727-L775 HydrophobicContact CB-CD1 3.94Å; L727-L775 HydrophobicContact CB-CD2 4.08Å; L727-L775 HydrophobicContact CD1-CD2 4.22Å; R728-L775 HydrophobicContact CB-CB 4.43Å; R728-L775 HydrophobicContact CB-CD1 4.13Å; A731-L775 HydrophobicContact CB-CD1 4.35Å; L755-L775 HydrophobicContact CD1-CD2 4.08Å; P771-L775 PolarHBondContact O-N 2.91Å; V772-L775 PolarHBondContact O-N 3.47Å; L775-A777 VanDerWaalsContact C-N 3.33Å; L775-A777 PolarHBondContact O-N 3.45Å; L775-E778 WeakPolarHBondContact O-CB 3.43Å; L775-E778 PolarHBondContact O-N 3.11Å; L775-L779 HydrophobicContact CD1-CD1 4.36Å; L775-L779 HydrophobicContact CD1-CG 4.26Å; L775-L779 HydrophobicContact CG-CD1 4.26Å; L775-L779 WeakPolarHBondContact O-CG 3.4Å; L775-L779 PolarHBondContact O-N 3Å |
| 776 | M | 96.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.2 | -41 | 177.6 | -69.8 | -58.2 | -59.8 | 0 | 0 | 112.5 | M752 L755 V772 L773 E778 L779 V780 M806 M839 | M752-M776 HydrophobicContact CE-CE 4.36Å; M752-M776 HydrophobicContact CE-SD 4.2Å; M752-M776 HydrophobicContact SD-CE 4.17Å; M752-M776 HydrophobicContact SD-SD 3.91Å; L755-M776 HydrophobicContact CD1-SD 4.48Å; V772-M776 PolarHBondContact O-N 2.87Å; L773-M776 PolarHBondContact O-N 3.23Å; M776-E778 VanDerWaalsContact C-N 3.28Å; M776-E778 PolarHBondContact O-N 3.17Å; M776-L779 PolarHBondContact O-N 3.41Å; M776-L779 HydrophobicContact SD-CD1 3.98Å; M776-V780 VanDerWaalsContact O-CG2 3.27Å; M776-V780 WeakPolarHBondContact O-CG2 3.2Å; M776-V780 PolarHBondContact O-N 3.43Å; M776-M806 HydrophobicContact CG-CE 3.9Å; M776-M806 HydrophobicContact CG-CG 4.04Å; M776-M806 HydrophobicContact SD-CE 4.28Å; M776-M839 HydrophobicContact CB-CE 3.65Å; M776-M839 HydrophobicContact CB-SD 4.01Å |
| 777 | A | 95.9 | Very high | 92.8 | Very high | 19 Ų | 19 | 27.3 Ų | 27.3 | 16% | 0.157 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.7 | -34.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L773 L775 H781 I835 M839 | L773-A777 WeakPolarHBondContact O-CB 3.39Å; L773-A777 PolarHBondContact O-N 3.03Å; L775-A777 VanDerWaalsContact C-N 3.33Å; L775-A777 PolarHBondContact O-N 3.45Å; A777-H781 WeakPolarHBondContact O-CB 3.16Å; A777-H781 PolarHBondContact O-N 3.33Å; A777-I835 HydrophobicContact CB-CG2 4.21Å; A777-M839 HydrophobicContact CB-CB 4.14Å; A777-M839 HydrophobicContact CB-CE 4.34Å; A777-M839 HydrophobicContact CB-CG 4.44Å |
| 778 | E | 95.7 | Very high | 92.6 | Very high | 18 Ų | 18 | 30.9 Ų | 30.9 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.1 | -47.1 | 174.6 | -171 | 64.3 | -144.8 | 0 | 0 | 111 | A731 F732 K774 L775 M776 V780 H781 R783 R786 | A731-E778 HydrophobicContact CB-CG 4.03Å; F732-E778 HydrophobicContact CB-CG 4.39Å; K774-E778 PolarHBondContact O-N 3.14Å; L775-E778 WeakPolarHBondContact O-CB 3.43Å; L775-E778 PolarHBondContact O-N 3.11Å; M776-E778 VanDerWaalsContact C-N 3.28Å; M776-E778 PolarHBondContact O-N 3.17Å; E778-V780 PolarHBondContact O-N 3.48Å; E778-V780 VanDerWaalsContact O-N 3.17Å; E778-H781 WeakPolarHBondContact O-CB 3.45Å; E778-H781 PolarHBondContact O-N 3.39Å; E778-R783 IonicContact OE1-CZ 2.86Å; E778-R783 VanDerWaalsContact OE1-CZ 3.27Å; E778-R783 IonicContact OE1-NH1 3.58Å; E778-R783 PolarHBondContact OE1-NH1 3.37Å; E778-R783 IonicContact OE1-NH2 2.75Å; E778-R783 PolarHBondContact OE1-NH2 3.4Å; E778-R783 IonicContact OE2-NH2 2.82Å; E778-R783 PolarHBondContact OE2-NH2 2.91Å; E778-R786 PolarHBondContact O-NH2 3.26Å; E778-R786 IonicContact OE1-CZ 3.3Å; E778-R786 IonicContact OE1-NH1 3.96Å; E778-R786 IonicContact OE1-NH2 3.74Å; E778-R786 PolarHBondContact OE1-NH2 3.17Å; E778-R786 VanDerWaalsContact OE1-NH2 3.14Å |
| 779 | L | 94.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57 | -33.9 | -179.8 | -69.5 | 173.2 | 0 | 0 | 0 | 113.2 | A731 F740 L743 I747 M752 L775 M776 | A731-L779 HydrophobicContact CB-CD2 4.06Å; F740-L779 HydrophobicContact CE2-CD2 4.23Å; F740-L779 HydrophobicContact CZ-CB 4.49Å; F740-L779 HydrophobicContact CZ-CD2 4.03Å; F740-L779 VanDerWaalsContact CZ-O 3.22Å; F740-L779 WeakPolarHBondContact CZ-O 3.16Å; L743-L779 HydrophobicContact CD2-CD2 4.23Å; I747-L779 HydrophobicContact CD1-CD1 4.12Å; M752-L779 HydrophobicContact CE-CD1 3.92Å; L775-L779 HydrophobicContact CD1-CD1 4.36Å; L775-L779 HydrophobicContact CD1-CG 4.26Å; L775-L779 HydrophobicContact CG-CD1 4.26Å; L775-L779 WeakPolarHBondContact O-CG 3.4Å; L775-L779 PolarHBondContact O-N 3Å; M776-L779 PolarHBondContact O-N 3.41Å; M776-L779 HydrophobicContact SD-CD1 3.98Å |
| 780 | V | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -85.4 | -14.4 | -178.5 | 174.8 | 0 | 0 | 0 | 0 | 112.2 | M776 E778 N782 L787 L799 T803 A842 A843 Y848 | M776-V780 VanDerWaalsContact O-CG2 3.27Å; M776-V780 WeakPolarHBondContact O-CG2 3.2Å; M776-V780 PolarHBondContact O-N 3.43Å; E778-V780 PolarHBondContact O-N 3.48Å; E778-V780 VanDerWaalsContact O-N 3.17Å; V780-N782 PolarHBondContact O-N 3.22Å; V780-L787 VanDerWaalsContact O-CD1 3.29Å; V780-L787 WeakPolarHBondContact O-CD1 3.36Å; V780-L799 HydrophobicContact CG2-CD1 4.2Å; V780-L799 HydrophobicContact CG2-CG 4.39Å; V780-T803 HydrophobicContact CG1-CG2 4.41Å; V780-T803 HydrophobicContact CG2-CG2 3.81Å; V780-T803 WeakPolarHBondContact CG2-OG1 3.28Å; V780-A842 HydrophobicContact CG1-CB 4.23Å; V780-A843 VanDerWaalsContact CG1-CA 3.4Å; V780-A843 HydrophobicContact CG1-CB 3.45Å; V780-A843 VanDerWaalsContact CG1-CB 3.45Å; V780-Y848 WeakPolarHBondContact CG1-OH 3.28Å |
| 781 | H | 94 | Very high | 90.2 | Very high | 72 Ų | 72 | 43.9 Ų | 43.9 | 33% | 0.333 | 23% | 0.229 | S | C | . | . | trans | -77.8 | 115 | -178 | -173.8 | 54.6 | 0 | 0 | 0 | 111.7 | A777 E778 R783 R786 A842 | A777-H781 WeakPolarHBondContact O-CB 3.16Å; A777-H781 PolarHBondContact O-N 3.33Å; E778-H781 WeakPolarHBondContact O-CB 3.45Å; E778-H781 PolarHBondContact O-N 3.39Å; H781-R783 VanDerWaalsContact C-N 3.25Å; H781-R783 PolarHBondContact O-N 3.45Å; H781-R786 PolarHBondContact O-NE 3Å; H781-R786 PolarHBondContact O-NH2 2.89Å; H781-R786 VanDerWaalsContact O-NH2 3.12Å; H781-A842 HydrophobicContact CB-CB 4.45Å | ||
| 782 | N | 91.3 | Very high | 89.4 | Confident | 43 Ų | 43 | 49.3 Ų | 49.3 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | trans | -78.5 | 65.6 | 177 | -165.6 | 9.3 | 0 | 0 | 0 | 112.6 | V780 Q785 R786 L787 G846 Y848 | V780-N782 PolarHBondContact O-N 3.22Å; N782-Q785 WeakPolarHBondContact OD1-CA 3.36Å; N782-R786 PolarHBondContact OD1-N 3.4Å; N782-R786 VanDerWaalsContact OD1-N 3.1Å; N782-L787 HydrophobicContact CB-CB 4.09Å; N782-L787 HydrophobicContact CB-CD1 3.97Å; N782-L787 HydrophobicContact CB-CG 4.2Å; N782-L787 PolarHBondContact OD1-N 3.07Å; N782-G846 PolarHBondContact ND2-O 2.98Å; N782-Y848 HydrophobicContact CB-CD1 4.47Å | ||
| 783 | R | 89.6 | Confident | 88.8 | Confident | 57 Ų | 57 | 50.9 Ų | 50.9 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -74 | 137.5 | 173.5 | -166 | -179.7 | -60 | 127.7 | 7.5 | 110.1 | F732 N735 E778 H781 Q785 R786 | F732-R783 PolarHBondContact O-NH1 2.66Å; N735-R783 WeakPolarHBondContact OD1-CD 3.36Å; E778-R783 IonicContact OE1-CZ 2.86Å; E778-R783 VanDerWaalsContact OE1-CZ 3.27Å; E778-R783 IonicContact OE1-NH1 3.58Å; E778-R783 PolarHBondContact OE1-NH1 3.37Å; E778-R783 IonicContact OE1-NH2 2.75Å; E778-R783 PolarHBondContact OE1-NH2 3.4Å; E778-R783 IonicContact OE2-NH2 2.82Å; E778-R783 PolarHBondContact OE2-NH2 2.91Å; H781-R783 VanDerWaalsContact C-N 3.25Å; H781-R783 PolarHBondContact O-N 3.45Å; R783-Q785 PolarHBondContact O-N 3.1Å; R783-R786 WeakPolarHBondContact O-CB 3.48Å; R783-R786 WeakPolarHBondContact O-CG 3.22Å; R783-R786 PolarHBondContact O-N 3.1Å |
| 784 | S | 86.4 | Confident | 88.3 | Confident | 91 Ų | 91 | 54.2 Ų | 54.2 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | 53.1 | 29.5 | 176.8 | -54.4 | 0 | 0 | 0 | 0 | 114.3 | R786 | S784-R786 PolarHBondContact O-N 3.12Š|
| 785 | Q | 87.8 | Confident | 88 | Confident | 144 Ų | 144 | 52.3 Ų | 52.3 | 67% | 0.673 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | 59.7 | 25.3 | -177.5 | -56.7 | -178.7 | -10.4 | 0 | 0 | 114.8 | N782 R783 L787 | N782-Q785 WeakPolarHBondContact OD1-CA 3.36Å; R783-Q785 PolarHBondContact O-N 3.1Å; Q785-L787 VanDerWaalsContact C-N 3.27Å; Q785-L787 PolarHBondContact O-N 3.34Å |
| 786 | R | 90.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | trans | -62.4 | -27.8 | -179.7 | 73.3 | -175.2 | 179.1 | -176.1 | -3.4 | 115 | A731 F734 N735 F740 E778 H781 N782 R783 S784 Q788 | A731-R786 PolarHBondContact O-NH1 3.39Å; F734-R786 VanDerWaalsContact O-CD 3.28Å; F734-R786 WeakPolarHBondContact O-CD 3.44Å; F734-R786 PolarHBondContact O-NH1 3.29Å; N735-R786 WeakPolarHBondContact O-CB 3.2Å; F740-R786 HydrophobicContact CB-CB 4.42Å; F740-R786 HydrophobicContact CD2-CG 4.31Å; F740-R786 HydrophobicContact CG-CG 4.3Å; E778-R786 PolarHBondContact O-NH2 3.26Å; E778-R786 IonicContact OE1-CZ 3.3Å; E778-R786 IonicContact OE1-NH1 3.96Å; E778-R786 IonicContact OE1-NH2 3.74Å; E778-R786 PolarHBondContact OE1-NH2 3.17Å; E778-R786 VanDerWaalsContact OE1-NH2 3.14Å; H781-R786 PolarHBondContact O-NE 3Å; H781-R786 PolarHBondContact O-NH2 2.89Å; H781-R786 VanDerWaalsContact O-NH2 3.12Å; N782-R786 PolarHBondContact OD1-N 3.4Å; N782-R786 VanDerWaalsContact OD1-N 3.1Å; R783-R786 WeakPolarHBondContact O-CB 3.48Å; R783-R786 WeakPolarHBondContact O-CG 3.22Å; R783-R786 PolarHBondContact O-N 3.1Å; S784-R786 PolarHBondContact O-N 3.12Å; R786-Q788 PolarHBondContact O-N 2.68Å; R786-Q788 VanDerWaalsContact O-N 3.16Å | ||
| 787 | L | 89.1 | Confident | 87.3 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | trans | -88.7 | 50.9 | 179.1 | -61.1 | 179.8 | 0 | 0 | 0 | 110.9 | F740 V780 N782 Q785 F789 L799 Y848 | F740-L787 HydrophobicContact CD1-CD2 3.64Å; F740-L787 HydrophobicContact CE1-CD2 3.16Å; F740-L787 HydrophobicContact CE1-CG 4.5Å; F740-L787 HydrophobicContact CZ-CD2 3.75Å; V780-L787 VanDerWaalsContact O-CD1 3.29Å; V780-L787 WeakPolarHBondContact O-CD1 3.36Å; N782-L787 HydrophobicContact CB-CB 4.09Å; N782-L787 HydrophobicContact CB-CD1 3.97Å; N782-L787 HydrophobicContact CB-CG 4.2Å; N782-L787 PolarHBondContact OD1-N 3.07Å; Q785-L787 VanDerWaalsContact C-N 3.27Å; Q785-L787 PolarHBondContact O-N 3.34Å; L787-F789 HydrophobicContact CB-CE2 4.11Å; L787-F789 HydrophobicContact CD2-CE2 4.38Å; L787-F789 HydrophobicContact CD2-CZ 4.04Å; L787-L799 HydrophobicContact CD1-CD2 4.16Å; L787-L799 HydrophobicContact CD2-CD2 3.98Å; L787-Y848 HydrophobicContact CB-CD1 3.9Å; L787-Y848 HydrophobicContact CB-CG 3.91Å; L787-Y848 HydrophobicContact CD1-CD1 3.52Å; L787-Y848 HydrophobicContact CD1-CE1 3.48Å; L787-Y848 VanDerWaalsContact CD1-CE1 3.48Å; L787-Y848 HydrophobicContact CD1-CG 4.13Å; L787-Y848 HydrophobicContact CG-CD1 4.35Å; L787-Y848 WeakPolarHBondContact O-CB 3.47Å | ||
| 788 | Q | 83.2 | Confident | 87.1 | Confident | 119 Ų | 119 | 55.6 Ų | 55.6 | 56% | 0.556 | 31% | 0.308 | S | S | * | . | trans | -98.7 | 94.5 | 174.7 | -170 | 175.5 | 12.3 | 0 | 0 | 109.5 | K737 R786 | K737-Q788 VanDerWaalsContact CD-O 3.25Å; K737-Q788 WeakPolarHBondContact CD-O 3.2Å; K737-Q788 WeakPolarHBondContact CE-O 3.5Å; R786-Q788 PolarHBondContact O-N 2.68Å; R786-Q788 VanDerWaalsContact O-N 3.16Å | ||
| 789 | F | 81.9 | Confident | 87 | Confident | 30 Ų | 30 | 54.8 Ų | 54.8 | 13% | 0.132 | 30% | 0.304 | C | S | . | . | trans | -83 | 146 | 176.4 | -56.7 | -72.7 | 0 | 0 | 0 | 110.9 | M741 L787 N795 G796 L799 Y848 | M741-F789 HydrophobicContact CE-CD1 3.9Å; M741-F789 HydrophobicContact CE-CE1 3.27Å; M741-F789 HydrophobicContact CE-CZ 3.97Å; M741-F789 HydrophobicContact SD-CD1 3.74Å; M741-F789 HydrophobicContact SD-CE1 3.53Å; M741-F789 VanDerWaalsContact SD-CE1 3.53Å; L787-F789 HydrophobicContact CB-CE2 4.11Å; L787-F789 HydrophobicContact CD2-CE2 4.38Å; L787-F789 HydrophobicContact CD2-CZ 4.04Å; F789-N795 HydrophobicContact CD1-CB 3.46Å; F789-N795 VanDerWaalsContact CD1-CB 3.46Å; F789-N795 HydrophobicContact CE1-CB 3.41Å; F789-N795 VanDerWaalsContact CE1-CB 3.41Å; F789-N795 HydrophobicContact CG-CB 4.32Å; F789-N795 HydrophobicContact CZ-CB 4.28Å; F789-G796 VanDerWaalsContact CD2-CA 3.49Å; F789-L799 HydrophobicContact CZ-CD2 4.34Å; F789-Y848 HydrophobicContact CD2-CD2 4.17Å; F789-Y848 HydrophobicContact CD2-CG 4.46Å; F789-Y848 AromaticContact CE2-CD2 3.56Å; F789-Y848 HydrophobicContact CE2-CD2 3.56Å; F789-Y848 HydrophobicContact CE2-CE2 4.42Å; F789-Y848 AromaticContact CE2-CG 3.99Å; F789-Y848 HydrophobicContact CE2-CG 3.99Å | ||
| 790 | D | 74.1 | Confident | 87 | Confident | 92 Ų | 92 | 54.8 Ų | 54.8 | 49% | 0.492 | 30% | 0.304 | S | S | . | . | trans | -66.7 | 150.4 | 171.9 | -60.4 | -49.3 | 0 | 0 | 0 | 110 | K737 S792 S793 | K737-D790 IonicContact NZ-OD1 2.88Å; K737-D790 PolarHBondContact NZ-OD1 3.07Å; K737-D790 IonicContact NZ-OD2 2.75Å; K737-D790 PolarHBondContact NZ-OD2 3.48Å; D790-S792 PolarHBondContact O-N 3.47Å; D790-S793 WeakPolarHBondContact O-CB 3.36Å; D790-S793 PolarHBondContact O-N 3.35Å | ||
| 791 | V | 72.1 | Confident | 87 | Confident | 161 Ų | 161 | 59.1 Ų | 59.1 | 98% | 0.976 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.1 | -173.1 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 792 | S | 75.6 | Confident | 87 | Confident | 115 Ų | 115 | 56.1 Ų | 56.1 | 80% | 0.804 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -9.8 | 176.1 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | D790 | D790-S792 PolarHBondContact O-N 3.47Š|
| 793 | S | 82.4 | Confident | 87.2 | Confident | 34 Ų | 34 | 54.1 Ų | 54.1 | 24% | 0.238 | 30% | 0.296 | C | S | . | . | trans | -84.9 | 128.1 | -174 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | D790 N795 | D790-S793 WeakPolarHBondContact O-CB 3.36Å; D790-S793 PolarHBondContact O-N 3.35Å; S793-N795 PolarHBondContact O-N 3.02Å; S793-N795 VanDerWaalsContact OG-CB 3.32Å; S793-N795 WeakPolarHBondContact OG-CB 3.41Å; S793-N795 PolarHBondContact OG-N 3.41Å; S793-N795 PolarHBondContact OG-ND2 3Å | ||
| 794 | P | 86.3 | Confident | 87.5 | Confident | 70 Ų | 70 | 51.6 Ų | 51.6 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | trans | -77.5 | -4.7 | 173.4 | 33.3 | -35.3 | 0 | 0 | 0 | 112.8 | G796 I797 L798 | P794-G796 VanDerWaalsContact C-N 3.31Å; P794-G796 PolarHBondContact O-N 2.89Å; P794-I797 WeakPolarHBondContact O-CB 3.48Å; P794-I797 PolarHBondContact O-N 3.12Å; P794-L798 HydrophobicContact CB-CD1 4.27Å; P794-L798 HydrophobicContact CB-CG 4.38Å; P794-L798 HydrophobicContact CG-CD1 4.18Å; P794-L798 WeakPolarHBondContact O-CG 3.46Å; P794-L798 PolarHBondContact O-N 2.64Å | ||
| 795 | N | 89.1 | Confident | 88 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.9 | -36.2 | -166.9 | -69.2 | -5.4 | 0 | 0 | 0 | 113.4 | F744 F789 S793 I797 L798 L799 | F744-N795 HydrophobicContact CD1-CB 4.18Å; F744-N795 HydrophobicContact CE1-CB 3.69Å; F789-N795 HydrophobicContact CD1-CB 3.46Å; F789-N795 VanDerWaalsContact CD1-CB 3.46Å; F789-N795 HydrophobicContact CE1-CB 3.41Å; F789-N795 VanDerWaalsContact CE1-CB 3.41Å; F789-N795 HydrophobicContact CG-CB 4.32Å; F789-N795 HydrophobicContact CZ-CB 4.28Å; S793-N795 PolarHBondContact O-N 3.02Å; S793-N795 VanDerWaalsContact OG-CB 3.32Å; S793-N795 WeakPolarHBondContact OG-CB 3.41Å; S793-N795 PolarHBondContact OG-N 3.41Å; S793-N795 PolarHBondContact OG-ND2 3Å; N795-I797 PolarHBondContact O-N 3.14Å; N795-L798 PolarHBondContact O-N 2.93Å; N795-L799 WeakPolarHBondContact O-CB 3.33Å; N795-L799 PolarHBondContact O-N 2.85Å |
| 796 | G | 88.8 | Confident | 88.3 | Confident | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F789 P794 F800 V849 | F789-G796 VanDerWaalsContact CD2-CA 3.49Å; P794-G796 VanDerWaalsContact C-N 3.31Å; P794-G796 PolarHBondContact O-N 2.89Å; G796-F800 PolarHBondContact O-N 3.01Å; G796-F800 VanDerWaalsContact O-N 3.08Å; G796-V849 VanDerWaalsContact C-CG2 3.47Å; G796-V849 WeakPolarHBondContact O-CG2 3.48Å |
| 797 | I | 90.3 | Very high | 88.6 | Confident | 54 Ų | 54 | 44.1 Ų | 44.1 | 28% | 0.277 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.5 | -44.4 | 177.5 | -59.3 | 170.1 | 0 | 0 | 0 | 109.7 | P794 N795 F800 R801 V849 V853 F854 | P794-I797 WeakPolarHBondContact O-CB 3.48Å; P794-I797 PolarHBondContact O-N 3.12Å; N795-I797 PolarHBondContact O-N 3.14Å; I797-F800 PolarHBondContact O-N 3.32Å; I797-R801 WeakPolarHBondContact O-CB 3.38Å; I797-R801 PolarHBondContact O-N 2.84Å; I797-V849 HydrophobicContact CG1-CG1 4.12Å; I797-V853 HydrophobicContact CD1-CG1 3.79Å; I797-F854 HydrophobicContact CG2-CE1 3.72Å; I797-F854 HydrophobicContact CG2-CZ 3.79Å |
| 798 | L | 92.1 | Very high | 89 | Confident | 34 Ų | 34 | 45.3 Ų | 45.3 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 179.1 | -64.2 | 175.9 | 0 | 0 | 0 | 111.8 | F744 Y748 P794 N795 F800 R801 E802 | F744-L798 HydrophobicContact CZ-CB 4.32Å; Y748-L798 HydrophobicContact CE1-CB 4.48Å; Y748-L798 HydrophobicContact CE1-CD1 3.74Å; Y748-L798 HydrophobicContact CE2-CB 4.45Å; Y748-L798 WeakPolarHBondContact OH-CD2 3.28Å; P794-L798 HydrophobicContact CB-CD1 4.27Å; P794-L798 HydrophobicContact CB-CG 4.38Å; P794-L798 HydrophobicContact CG-CD1 4.18Å; P794-L798 WeakPolarHBondContact O-CG 3.46Å; P794-L798 PolarHBondContact O-N 2.64Å; N795-L798 PolarHBondContact O-N 2.93Å; L798-F800 VanDerWaalsContact C-N 3.34Å; L798-F800 PolarHBondContact O-N 3.22Å; L798-R801 WeakPolarHBondContact O-CB 3.45Å; L798-R801 PolarHBondContact O-N 3.32Å; L798-R801 VanDerWaalsContact O-N 3.16Å; L798-E802 PolarHBondContact O-N 3.49Å |
| 799 | L | 93.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 175.7 | 177.5 | 60.4 | 0 | 0 | 0 | 111.1 | F744 V780 L787 F789 N795 R801 E802 T803 Y848 | F744-L799 HydrophobicContact CD2-CD1 4.28Å; F744-L799 HydrophobicContact CE2-CB 3.83Å; F744-L799 HydrophobicContact CE2-CD1 3.84Å; F744-L799 HydrophobicContact CE2-CG 4.35Å; F744-L799 HydrophobicContact CZ-CB 4.05Å; V780-L799 HydrophobicContact CG2-CD1 4.2Å; V780-L799 HydrophobicContact CG2-CG 4.39Å; L787-L799 HydrophobicContact CD1-CD2 4.16Å; L787-L799 HydrophobicContact CD2-CD2 3.98Å; F789-L799 HydrophobicContact CZ-CD2 4.34Å; N795-L799 WeakPolarHBondContact O-CB 3.33Å; N795-L799 PolarHBondContact O-N 2.85Å; L799-R801 VanDerWaalsContact C-N 3.35Å; L799-R801 PolarHBondContact O-N 2.97Å; L799-E802 PolarHBondContact O-N 3.23Å; L799-T803 WeakPolarHBondContact O-CB 3.4Å; L799-T803 PolarHBondContact O-N 2.82Å; L799-T803 PolarHBondContact O-OG1 3.2Å; L799-Y848 HydrophobicContact CD2-CE2 3.89Å; L799-Y848 HydrophobicContact CG-CE2 4.35Å |
| 800 | F | 94.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.3 | -37.8 | 176.6 | -177.1 | -97.3 | 0 | 0 | 0 | 112.5 | G796 I797 L798 E802 T803 S804 A843 V849 F851 F854 A861 L862 | G796-F800 PolarHBondContact O-N 3.01Å; G796-F800 VanDerWaalsContact O-N 3.08Å; I797-F800 PolarHBondContact O-N 3.32Å; L798-F800 VanDerWaalsContact C-N 3.34Å; L798-F800 PolarHBondContact O-N 3.22Å; F800-E802 PolarHBondContact O-N 3.45Å; F800-T803 WeakPolarHBondContact O-CB 3.19Å; F800-T803 PolarHBondContact O-N 2.76Å; F800-S804 WeakPolarHBondContact O-CB 3.49Å; F800-S804 PolarHBondContact O-N 3Å; F800-A843 HydrophobicContact CD2-CB 3.91Å; F800-A843 HydrophobicContact CE2-CB 3.95Å; F800-V849 HydrophobicContact CB-CG2 4.08Å; F800-F851 HydrophobicContact CD1-CE1 4.07Å; F800-F851 AromaticContact CD2-CE1 3.62Å; F800-F851 HydrophobicContact CD2-CE1 3.62Å; F800-F851 HydrophobicContact CD2-CZ 4.09Å; F800-F851 HydrophobicContact CE1-CD1 4.33Å; F800-F851 AromaticContact CE1-CE1 3.9Å; F800-F851 HydrophobicContact CE1-CE1 3.9Å; F800-F851 AromaticContact CE2-CE1 3.47Å; F800-F851 HydrophobicContact CE2-CE1 3.47Å; F800-F851 VanDerWaalsContact CE2-CE1 3.47Å; F800-F851 HydrophobicContact CE2-CZ 4.01Å; F800-F851 AromaticContact CG-CE1 3.92Å; F800-F851 HydrophobicContact CG-CE1 3.92Å; F800-F851 HydrophobicContact CZ-CD1 4.28Å; F800-F851 AromaticContact CZ-CE1 3.61Å; F800-F851 HydrophobicContact CZ-CE1 3.61Å; F800-F854 HydrophobicContact CB-CZ 4.17Å; F800-F854 AromaticContact CD1-CE1 3.99Å; F800-F854 HydrophobicContact CD1-CE1 3.99Å; F800-F854 AromaticContact CD1-CE2 3.58Å; F800-F854 HydrophobicContact CD1-CE2 3.58Å; F800-F854 AromaticContact CD1-CZ 3.29Å; F800-F854 HydrophobicContact CD1-CZ 3.29Å; F800-F854 HydrophobicContact CE1-CE2 4.02Å; F800-F854 HydrophobicContact CE1-CZ 4.06Å; F800-F854 HydrophobicContact CG-CE2 4.33Å; F800-F854 HydrophobicContact CG-CZ 4.07Å; F800-A861 HydrophobicContact CD1-CB 4.45Å; F800-A861 HydrophobicContact CE1-CB 4.33Å; F800-L862 HydrophobicContact CE1-CB 4Å; F800-L862 HydrophobicContact CE1-CD1 4.15Å; F800-L862 HydrophobicContact CZ-CB 4.33Å; F800-L862 HydrophobicContact CZ-CD1 3.64Å |
| 801 | R | 93.9 | Very high | 91.2 | Very high | 92 Ų | 92 | 36.4 Ų | 36.4 | 35% | 0.347 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.3 | -46.1 | 177.7 | -163.1 | 177.3 | 86.2 | 163.2 | 3.7 | 111.7 | I797 L798 L799 T803 S804 K805 A861 | I797-R801 WeakPolarHBondContact O-CB 3.38Å; I797-R801 PolarHBondContact O-N 2.84Å; L798-R801 WeakPolarHBondContact O-CB 3.45Å; L798-R801 PolarHBondContact O-N 3.32Å; L798-R801 VanDerWaalsContact O-N 3.16Å; L799-R801 VanDerWaalsContact C-N 3.35Å; L799-R801 PolarHBondContact O-N 2.97Å; R801-T803 VanDerWaalsContact C-N 3.33Å; R801-S804 PolarHBondContact O-N 3.5Å; R801-K805 WeakPolarHBondContact O-CG 3.32Å; R801-K805 PolarHBondContact O-N 3.44Å; R801-A861 HydrophobicContact CG-CB 4.23Å |
| 802 | E | 94.8 | Very high | 92.2 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.5 | -33.1 | 176.3 | -61.7 | -49.4 | 125.7 | 0 | 0 | 112.2 | Y748 Q756 L798 L799 F800 K805 M806 | Y748-E802 HydrophobicContact CD2-CG 3.91Å; Y748-E802 HydrophobicContact CE2-CG 3.84Å; Q756-E802 PolarHBondContact NE2-OE2 3.21Å; L798-E802 PolarHBondContact O-N 3.49Å; L799-E802 PolarHBondContact O-N 3.23Å; F800-E802 PolarHBondContact O-N 3.45Å; E802-K805 PolarHBondContact O-N 3.49Å; E802-K805 IonicContact OE1-NZ 3.88Å; E802-K805 PolarHBondContact OE1-NZ 3.27Å; E802-K805 IonicContact OE2-NZ 3.29Å; E802-M806 WeakPolarHBondContact O-CB 3.08Å; E802-M806 PolarHBondContact O-N 2.93Å |
| 803 | T | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.5 | -47.3 | 172.2 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | V780 L799 F800 R801 K805 M806 I807 M839 | V780-T803 HydrophobicContact CG1-CG2 4.41Å; V780-T803 HydrophobicContact CG2-CG2 3.81Å; V780-T803 WeakPolarHBondContact CG2-OG1 3.28Å; L799-T803 WeakPolarHBondContact O-CB 3.4Å; L799-T803 PolarHBondContact O-N 2.82Å; L799-T803 PolarHBondContact O-OG1 3.2Å; F800-T803 WeakPolarHBondContact O-CB 3.19Å; F800-T803 PolarHBondContact O-N 2.76Å; R801-T803 VanDerWaalsContact C-N 3.33Å; T803-K805 PolarHBondContact O-N 3.02Å; T803-M806 PolarHBondContact O-N 2.84Å; T803-I807 HydrophobicContact CG2-CD1 4.03Å; T803-I807 WeakPolarHBondContact O-CG1 3.34Å; T803-I807 PolarHBondContact O-N 3.23Å; T803-M839 HydrophobicContact CG2-CG 3.7Å; T803-M839 HydrophobicContact CG2-SD 3.76Å |
| 804 | S | 96.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 3% | 0.028 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 177 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | F800 R801 M806 I807 T808 A861 | F800-S804 WeakPolarHBondContact O-CB 3.49Å; F800-S804 PolarHBondContact O-N 3Å; R801-S804 PolarHBondContact O-N 3.5Å; S804-M806 VanDerWaalsContact C-N 3.34Å; S804-M806 PolarHBondContact O-N 3.45Å; S804-I807 PolarHBondContact O-N 3.33Å; S804-T808 VanDerWaalsContact O-CB 3.28Å; S804-T808 WeakPolarHBondContact O-CB 3.39Å; S804-T808 PolarHBondContact O-N 2.65Å; S804-T808 PolarHBondContact O-OG1 3.44Å; S804-A861 VanDerWaalsContact CB-O 3.28Å; S804-A861 WeakPolarHBondContact CB-O 3.32Å; S804-A861 PolarHBondContact OG-O 3.36Å |
| 805 | K | 95.6 | Very high | 93.8 | Very high | 76 Ų | 76 | 28.7 Ų | 28.7 | 33% | 0.33 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -58.1 | -45.3 | 174.7 | -72.8 | 173.7 | -177.2 | 173.8 | 0 | 111.8 | R801 E802 T803 T808 M809 | R801-K805 WeakPolarHBondContact O-CG 3.32Å; R801-K805 PolarHBondContact O-N 3.44Å; E802-K805 PolarHBondContact O-N 3.49Å; E802-K805 IonicContact OE1-NZ 3.88Å; E802-K805 PolarHBondContact OE1-NZ 3.27Å; E802-K805 IonicContact OE2-NZ 3.29Å; T803-K805 PolarHBondContact O-N 3.02Å; K805-T808 PolarHBondContact O-N 3.36Å; K805-M809 WeakPolarHBondContact O-CB 3.2Å; K805-M809 PolarHBondContact O-N 3.35Å |
| 806 | M | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 179.2 | -170.4 | 65 | 69.5 | 0 | 0 | 112.2 | L755 Q756 I759 V772 L773 M776 E802 T803 S804 M809 Y810 | L755-M806 HydrophobicContact CB-CE 3.98Å; Q756-M806 HydrophobicContact CG-CE 3.74Å; I759-M806 HydrophobicContact CB-SD 4.25Å; I759-M806 HydrophobicContact CG1-SD 3.65Å; I759-M806 HydrophobicContact CG2-SD 4.5Å; V772-M806 HydrophobicContact CG1-CE 4.35Å; L773-M806 HydrophobicContact CD2-CG 4.14Å; M776-M806 HydrophobicContact CG-CE 3.9Å; M776-M806 HydrophobicContact CG-CG 4.04Å; M776-M806 HydrophobicContact SD-CE 4.28Å; E802-M806 WeakPolarHBondContact O-CB 3.08Å; E802-M806 PolarHBondContact O-N 2.93Å; T803-M806 PolarHBondContact O-N 2.84Å; S804-M806 VanDerWaalsContact C-N 3.34Å; S804-M806 PolarHBondContact O-N 3.45Å; M806-M809 PolarHBondContact O-N 2.85Å; M806-Y810 PolarHBondContact O-N 2.85Å |
| 807 | I | 96.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 177.1 | -68.1 | 168.8 | 0 | 0 | 0 | 110.2 | T803 S804 G811 M839 L840 T868 | T803-I807 HydrophobicContact CG2-CD1 4.03Å; T803-I807 WeakPolarHBondContact O-CG1 3.34Å; T803-I807 PolarHBondContact O-N 3.23Å; S804-I807 PolarHBondContact O-N 3.33Å; I807-G811 WeakPolarHBondContact O-CA 3.49Å; I807-G811 PolarHBondContact O-N 3.08Å; I807-M839 HydrophobicContact CD1-CG 4.29Å; I807-M839 HydrophobicContact CD1-SD 4.07Å; I807-M839 HydrophobicContact CG1-SD 3.72Å; I807-L840 HydrophobicContact CD1-CB 4.07Å; I807-L840 HydrophobicContact CD1-CD1 4.43Å; I807-T868 HydrophobicContact CG2-CG2 4.07Å |
| 808 | T | 96.5 | Very high | 93.4 | Very high | 27 Ų | 27 | 33.9 Ų | 33.9 | 17% | 0.166 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65 | -41.3 | -178.3 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | S804 K805 N812 | S804-T808 VanDerWaalsContact O-CB 3.28Å; S804-T808 WeakPolarHBondContact O-CB 3.39Å; S804-T808 PolarHBondContact O-N 2.65Å; S804-T808 PolarHBondContact O-OG1 3.44Å; K805-T808 PolarHBondContact O-N 3.36Å; T808-N812 VanDerWaalsContact CG2-ND2 3.28Å; T808-N812 WeakPolarHBondContact CG2-ND2 3.28Å; T808-N812 WeakPolarHBondContact O-CB 3.27Å; T808-N812 VanDerWaalsContact O-CG 3.29Å; T808-N812 PolarHBondContact O-N 2.87Å; T808-N812 PolarHBondContact O-ND2 3.29Å |
| 809 | M | 94.9 | Very high | 92.7 | Very high | 51 Ų | 51 | 42 Ų | 42 | 25% | 0.251 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.8 | -51.5 | -179.7 | -172.5 | 171.1 | -62 | 0 | 0 | 112 | Q756 I759 E760 K805 M806 R813 | Q756-M809 HydrophobicContact CB-CE 3.96Å; Q756-M809 HydrophobicContact CB-SD 3.79Å; Q756-M809 HydrophobicContact CG-CE 4.43Å; Q756-M809 HydrophobicContact CG-SD 4.5Å; I759-M809 HydrophobicContact CG2-CG 4.37Å; E760-M809 HydrophobicContact CB-CG 4.48Å; E760-M809 HydrophobicContact CB-SD 4.03Å; K805-M809 WeakPolarHBondContact O-CB 3.2Å; K805-M809 PolarHBondContact O-N 3.35Å; M806-M809 PolarHBondContact O-N 2.85Å; M809-R813 VanDerWaalsContact O-CG 3.28Å; M809-R813 WeakPolarHBondContact O-CG 3.16Å; M809-R813 PolarHBondContact O-N 3.16Å |
| 810 | Y | 96.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -47.2 | 175.8 | 179.5 | -105.1 | 0 | 0 | 0 | 111 | I759 T769 L773 M806 N812 R813 I814 G832 C836 | I759-Y810 HydrophobicContact CG2-CD2 4.07Å; I759-Y810 HydrophobicContact CG2-CG 4.41Å; T769-Y810 HydrophobicContact CG2-CE2 4.27Å; L773-Y810 HydrophobicContact CD1-CD1 3.93Å; L773-Y810 HydrophobicContact CD1-CD2 4.07Å; L773-Y810 HydrophobicContact CD1-CE1 3.89Å; L773-Y810 HydrophobicContact CD1-CE2 4.05Å; L773-Y810 HydrophobicContact CD1-CG 4.01Å; L773-Y810 HydrophobicContact CD2-CG 4.2Å; M806-Y810 PolarHBondContact O-N 2.85Å; Y810-N812 PolarHBondContact O-N 3.48Å; Y810-R813 PolarHBondContact O-N 3.28Å; Y810-I814 HydrophobicContact CD1-CG2 4.33Å; Y810-I814 HydrophobicContact CE1-CB 4.18Å; Y810-I814 HydrophobicContact CE1-CG1 4.36Å; Y810-I814 HydrophobicContact CE1-CG2 4.04Å; Y810-I814 HydrophobicContact CE2-CB 4.32Å; Y810-I814 HydrophobicContact CE2-CD1 4.38Å; Y810-I814 HydrophobicContact CE2-CG1 4.5Å; Y810-I814 WeakPolarHBondContact O-CB 3.49Å; Y810-I814 WeakPolarHBondContact O-CG2 3.02Å; Y810-I814 PolarHBondContact O-N 2.9Å; Y810-G832 WeakPolarHBondContact OH-CA 3.2Å; Y810-C836 VanDerWaalsContact CD1-SG 3.53Å |
| 811 | G | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.8 | -44.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I807 I814 L815 | I807-G811 WeakPolarHBondContact O-CA 3.49Å; I807-G811 PolarHBondContact O-N 3.08Å; G811-I814 WeakPolarHBondContact O-CG2 3.25Å; G811-L815 WeakPolarHBondContact O-CD1 3.25Å; G811-L815 WeakPolarHBondContact O-CG 3.25Å; G811-L815 PolarHBondContact O-N 3.36Å |
| 812 | N | 94 | Very high | 91 | Very high | 63 Ų | 63 | 51.1 Ų | 51.1 | 34% | 0.337 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.4 | -34.3 | 177.9 | -70.8 | -40.8 | 0 | 0 | 0 | 112.5 | T808 Y810 | T808-N812 VanDerWaalsContact CG2-ND2 3.28Å; T808-N812 WeakPolarHBondContact CG2-ND2 3.28Å; T808-N812 WeakPolarHBondContact O-CB 3.27Å; T808-N812 VanDerWaalsContact O-CG 3.29Å; T808-N812 PolarHBondContact O-N 2.87Å; T808-N812 PolarHBondContact O-ND2 3.29Å; Y810-N812 PolarHBondContact O-N 3.48Å |
| 813 | R | 93.5 | Very high | 90.4 | Very high | 101 Ų | 101 | 56.5 Ų | 56.5 | 38% | 0.381 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -75.8 | -41 | 178.6 | -68.3 | -70 | -170.7 | -178.1 | 3.7 | 112.6 | E760 Y763 M809 Y810 L815 T816 | E760-R813 IonicContact OE1-CZ 2.76Å; E760-R813 IonicContact OE1-NH2 3.82Å; E760-R813 PolarHBondContact OE1-NH2 3.06Å; Y763-R813 HydrophobicContact CD1-CB 4.1Å; Y763-R813 HydrophobicContact CD2-CB 4.02Å; Y763-R813 WeakPolarHBondContact CD2-O 3.36Å; Y763-R813 WeakPolarHBondContact CE2-O 3.36Å; Y763-R813 HydrophobicContact CG-CB 3.72Å; M809-R813 VanDerWaalsContact O-CG 3.28Å; M809-R813 WeakPolarHBondContact O-CG 3.16Å; M809-R813 PolarHBondContact O-N 3.16Å; Y810-R813 PolarHBondContact O-N 3.28Å; R813-L815 PolarHBondContact O-N 3.01Å; R813-T816 PolarHBondContact O-N 3.35Å; R813-T816 PolarHBondContact O-OG1 3.41Å |
| 814 | I | 93.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.1 | -26.3 | -179.9 | -162.7 | 63.6 | 0 | 0 | 0 | 112.2 | Y810 G811 T816 L817 K829 L872 | Y810-I814 HydrophobicContact CD1-CG2 4.33Å; Y810-I814 HydrophobicContact CE1-CB 4.18Å; Y810-I814 HydrophobicContact CE1-CG1 4.36Å; Y810-I814 HydrophobicContact CE1-CG2 4.04Å; Y810-I814 HydrophobicContact CE2-CB 4.32Å; Y810-I814 HydrophobicContact CE2-CD1 4.38Å; Y810-I814 HydrophobicContact CE2-CG1 4.5Å; Y810-I814 WeakPolarHBondContact O-CB 3.49Å; Y810-I814 WeakPolarHBondContact O-CG2 3.02Å; Y810-I814 PolarHBondContact O-N 2.9Å; G811-I814 WeakPolarHBondContact O-CG2 3.25Å; I814-T816 VanDerWaalsContact C-N 3.26Å; I814-T816 PolarHBondContact O-N 2.9Å; I814-L817 HydrophobicContact CD1-CD2 4.2Å; I814-L817 WeakPolarHBondContact O-CB 3.46Å; I814-L817 PolarHBondContact O-N 3.03Å; I814-K829 HydrophobicContact CG1-CG 4.19Å; I814-L872 HydrophobicContact CG2-CD2 3.8Å |
| 815 | L | 91.3 | Very high | 89.5 | Confident | 55 Ų | 55 | 61.7 Ų | 61.7 | 29% | 0.288 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -19.3 | 174 | -70.5 | 171.4 | 0 | 0 | 0 | 113.4 | G811 R813 L817 K871 L872 S875 | G811-L815 WeakPolarHBondContact O-CD1 3.25Å; G811-L815 WeakPolarHBondContact O-CG 3.25Å; G811-L815 PolarHBondContact O-N 3.36Å; R813-L815 PolarHBondContact O-N 3.01Å; L815-L817 VanDerWaalsContact C-N 3.26Å; L815-K871 HydrophobicContact CD1-CB 3.64Å; L815-K871 HydrophobicContact CD1-CD 4.48Å; L815-L872 HydrophobicContact CD1-CD2 4.18Å; L815-L872 HydrophobicContact CD2-CD2 4.05Å; L815-L872 HydrophobicContact CG-CD2 3.93Å; L815-S875 VanDerWaalsContact CD2-CB 3.43Å |
| 816 | T | 90.6 | Very high | 89.1 | Confident | 93 Ų | 93 | 60.6 Ų | 60.6 | 57% | 0.571 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -3.7 | 173 | 67.5 | 0 | 0 | 0 | 0 | 112.9 | R813 I814 G818 | R813-T816 PolarHBondContact O-N 3.35Å; R813-T816 PolarHBondContact O-OG1 3.41Å; I814-T816 VanDerWaalsContact C-N 3.26Å; I814-T816 PolarHBondContact O-N 2.9Å; T816-G818 PolarHBondContact O-N 3.49Å |
| 817 | L | 86.9 | Confident | 88.7 | Confident | 39 Ų | 39 | 63 Ų | 63 | 20% | 0.204 | 34% | 0.337 | C | S | . | . | trans | -65.8 | 130.2 | 173.6 | -158.1 | 83.4 | 0 | 0 | 0 | 108.9 | Y763 H764 I814 L815 V820 | Y763-L817 HydrophobicContact CE2-CD1 4.18Å; H764-L817 HydrophobicContact CB-CD1 3.95Å; I814-L817 HydrophobicContact CD1-CD2 4.2Å; I814-L817 WeakPolarHBondContact O-CB 3.46Å; I814-L817 PolarHBondContact O-N 3.03Å; L815-L817 VanDerWaalsContact C-N 3.26Å; L817-V820 HydrophobicContact CD2-CG2 3.47Å; L817-V820 VanDerWaalsContact CD2-CG2 3.47Å; L817-V820 HydrophobicContact CG-CG2 4.27Å | ||
| 818 | G | 80.8 | Confident | 88.2 | Confident | 59 Ų | 59 | 65.2 Ų | 65.2 | 61% | 0.608 | 35% | 0.348 | S | S | * | . | trans | -68.3 | -163.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T816 V820 | T816-G818 PolarHBondContact O-N 3.49Å; G818-V820 PolarHBondContact O-N 3.38Å | ||
| 819 | E | 79 | Confident | 87.9 | Confident | 206 Ų | 206 | 65.8 Ų | 65.8 | 96% | 0.963 | 35% | 0.349 | S | S | * | . | trans | -61.5 | 128.4 | 176.2 | -68.8 | -172.1 | 165.3 | 0 | 0 | 111.2 | ||||
| 820 | V | 84.6 | Confident | 87.8 | Confident | 29 Ų | 29 | 63.5 Ų | 63.5 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | trans | -110.2 | 135.2 | 179.1 | -178.9 | 0 | 0 | 0 | 0 | 109 | L817 G818 K822 Q824 V825 L828 | L817-V820 HydrophobicContact CD2-CG2 3.47Å; L817-V820 VanDerWaalsContact CD2-CG2 3.47Å; L817-V820 HydrophobicContact CG-CG2 4.27Å; G818-V820 PolarHBondContact O-N 3.38Å; V820-K822 PolarHBondContact O-N 3.18Å; V820-Q824 HydrophobicContact CG1-CB 4.32Å; V820-V825 HydrophobicContact CB-CG2 4Å; V820-V825 HydrophobicContact CG1-CB 4.49Å; V820-V825 HydrophobicContact CG1-CG2 4Å; V820-V825 WeakPolarHBondContact O-CG2 3.4Å; V820-L828 HydrophobicContact CG1-CB 4.24Å; V820-L828 HydrophobicContact CG1-CD1 3.75Å | ||
| 821 | P | 83 | Confident | 87.6 | Confident | 71 Ų | 71 | 66.6 Ų | 66.6 | 46% | 0.461 | 35% | 0.351 | S | S | . | . | trans | -55.7 | 133.8 | 174.1 | -26.2 | 35.6 | 0 | 0 | 0 | 112.2 | D823 Q824 V825 | P821-D823 WeakPolarHBondContact CB-OD1 3.36Å; P821-D823 PolarHBondContact O-N 3Å; P821-Q824 PolarHBondContact O-N 3.36Å; P821-V825 WeakPolarHBondContact O-CG2 3.33Å; P821-V825 PolarHBondContact O-N 3.32Å | ||
| 822 | K | 78.8 | Confident | 87.6 | Confident | 184 Ų | 184 | 66.7 Ų | 66.7 | 80% | 0.8 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -35.1 | -173.9 | -73.9 | -167.8 | 175.6 | -169 | 0 | 113.8 | V820 Q824 Y884 | V820-K822 PolarHBondContact O-N 3.18Å; K822-Q824 VanDerWaalsContact C-N 3.29Å; K822-Q824 PolarHBondContact O-N 2.88Å; K822-Y884 PolarHBondContact O-OH 2.62Å |
| 823 | D | 81.7 | Confident | 87.6 | Confident | 123 Ų | 123 | 63.7 Ų | 63.7 | 66% | 0.658 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -26 | 177 | 56.6 | -53.1 | 0 | 0 | 0 | 113.8 | P821 | P821-D823 WeakPolarHBondContact CB-OD1 3.36Å; P821-D823 PolarHBondContact O-N 3Å |
| 824 | Q | 84.4 | Confident | 87.8 | Confident | 93 Ų | 93 | 59.3 Ų | 59.3 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -7.3 | -176.4 | -62.2 | 177.4 | 26.9 | 0 | 0 | 113.9 | V820 P821 K822 Y826 A827 L828 | V820-Q824 HydrophobicContact CG1-CB 4.32Å; P821-Q824 PolarHBondContact O-N 3.36Å; K822-Q824 VanDerWaalsContact C-N 3.29Å; K822-Q824 PolarHBondContact O-N 2.88Å; Q824-Y826 PolarHBondContact O-N 2.84Å; Q824-A827 PolarHBondContact O-N 2.83Å; Q824-A827 VanDerWaalsContact O-N 3.09Å; Q824-L828 HydrophobicContact CB-CD1 3.82Å; Q824-L828 HydrophobicContact CB-CG 4.34Å; Q824-L828 PolarHBondContact O-N 3.06Å |
| 825 | V | 87.7 | Confident | 87.9 | Confident | 19 Ų | 19 | 60 Ų | 60 | 12% | 0.115 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -50.6 | -43.2 | 180 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | V820 P821 K829 L830 | V820-V825 HydrophobicContact CB-CG2 4Å; V820-V825 HydrophobicContact CG1-CB 4.49Å; V820-V825 HydrophobicContact CG1-CG2 4Å; V820-V825 WeakPolarHBondContact O-CG2 3.4Å; P821-V825 WeakPolarHBondContact O-CG2 3.33Å; P821-V825 PolarHBondContact O-N 3.32Å; V825-K829 WeakPolarHBondContact O-CB 3.46Å; V825-K829 PolarHBondContact O-N 2.96Å; V825-L830 HydrophobicContact CG1-CD1 3.68Å; V825-L830 HydrophobicContact CG1-CD2 4.39Å; V825-L830 HydrophobicContact CG1-CG 3.75Å; V825-L830 PolarHBondContact O-N 3.29Å |
| 826 | Y | 87.4 | Confident | 88.2 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 21% | 0.208 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -62.9 | -48.8 | 179.8 | -178 | -97.9 | 0 | 0 | 0 | 112.5 | Q824 L830 K831 Y884 K886 | Q824-Y826 PolarHBondContact O-N 2.84Å; Y826-L830 HydrophobicContact CD2-CB 4.07Å; Y826-L830 PolarHBondContact O-N 3.45Å; Y826-K831 HydrophobicContact CE1-CB 4.22Å; Y826-K831 HydrophobicContact CE1-CD 4.49Å; Y826-K831 HydrophobicContact CE1-CG 4.5Å; Y826-K831 WeakPolarHBondContact O-CB 3.34Å; Y826-K831 PolarHBondContact O-N 3.28Å; Y826-Y884 AromaticContact CD2-CD1 3.63Å; Y826-Y884 HydrophobicContact CD2-CD1 3.63Å; Y826-Y884 HydrophobicContact CD2-CD2 4.25Å; Y826-Y884 HydrophobicContact CD2-CE1 4.23Å; Y826-Y884 AromaticContact CD2-CG 3.66Å; Y826-Y884 HydrophobicContact CD2-CG 3.66Å; Y826-Y884 HydrophobicContact CE2-CD1 4.4Å; Y826-Y884 HydrophobicContact CE2-CG 4.33Å; Y826-Y884 AromaticContact CG-CD1 3.93Å; Y826-Y884 HydrophobicContact CG-CD1 3.93Å; Y826-Y884 HydrophobicContact CG-CE1 4.12Å; Y826-Y884 HydrophobicContact CG-CG 4.37Å; Y826-K886 WeakPolarHBondContact OH-CB 3.5Å; Y826-K886 WeakPolarHBondContact OH-CD 3.35Å |
| 827 | A | 86.8 | Confident | 88.5 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 42% | 0.421 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -69.9 | -42.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P766 Q824 | P766-A827 WeakPolarHBondContact CB-O 3.4Å; P766-A827 WeakPolarHBondContact CG-O 3.45Å; Q824-A827 PolarHBondContact O-N 2.83Å; Q824-A827 VanDerWaalsContact O-N 3.09Å |
| 828 | L | 87.4 | Confident | 88.9 | Confident | 49 Ų | 49 | 53.5 Ų | 53.5 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -82.3 | -32.6 | -173.5 | -67.8 | 173 | 0 | 0 | 0 | 113.4 | P766 V820 Q824 | P766-L828 HydrophobicContact CG-CD2 3.81Å; V820-L828 HydrophobicContact CG1-CB 4.24Å; V820-L828 HydrophobicContact CG1-CD1 3.75Å; Q824-L828 HydrophobicContact CB-CD1 3.82Å; Q824-L828 HydrophobicContact CB-CG 4.34Å; Q824-L828 PolarHBondContact O-N 3.06Å |
| 829 | K | 90.2 | Very high | 89.6 | Confident | 40 Ų | 40 | 50.7 Ų | 50.7 | 17% | 0.174 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -123.4 | -62.5 | -172.7 | -172.1 | 177.2 | -178.5 | -176.1 | 0 | 112.8 | I814 V825 K831 G832 I833 | I814-K829 HydrophobicContact CG1-CG 4.19Å; V825-K829 WeakPolarHBondContact O-CB 3.46Å; V825-K829 PolarHBondContact O-N 2.96Å; K829-K831 PolarHBondContact O-N 3.19Å; K829-G832 PolarHBondContact O-N 3.34Å; K829-I833 HydrophobicContact CG-CD1 3.95Å; K829-I833 WeakPolarHBondContact O-CG1 3.42Å; K829-I833 PolarHBondContact O-N 3.17Å |
| 830 | L | 91.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -68.2 | -32.5 | -166.5 | -56.1 | 173.7 | 0 | 0 | 0 | 113.7 | V825 Y826 G832 I833 S834 I876 D880 Y884 L887 | V825-L830 HydrophobicContact CG1-CD1 3.68Å; V825-L830 HydrophobicContact CG1-CD2 4.39Å; V825-L830 HydrophobicContact CG1-CG 3.75Å; V825-L830 PolarHBondContact O-N 3.29Å; Y826-L830 HydrophobicContact CD2-CB 4.07Å; Y826-L830 PolarHBondContact O-N 3.45Å; L830-G832 PolarHBondContact O-N 3.28Å; L830-I833 PolarHBondContact O-N 2.81Å; L830-S834 WeakPolarHBondContact O-CB 3.5Å; L830-S834 PolarHBondContact O-N 3.01Å; L830-I876 HydrophobicContact CD2-CG1 3.94Å; L830-I876 HydrophobicContact CD2-CG2 4.29Å; L830-D880 HydrophobicContact CD1-CB 4.25Å; L830-Y884 HydrophobicContact CD1-CD2 3.55Å; L830-Y884 HydrophobicContact CD1-CE2 3.59Å; L830-Y884 HydrophobicContact CD1-CG 4.5Å; L830-L887 HydrophobicContact CB-CD2 4.18Å; L830-L887 HydrophobicContact CD1-CD2 4.07Å; L830-L887 HydrophobicContact CD2-CD2 4.15Å; L830-L887 HydrophobicContact CG-CD2 4.36Å |
| 831 | K | 92.9 | Very high | 91 | Very high | 69 Ų | 69 | 43 Ų | 43 | 30% | 0.3 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.3 | -41.3 | 179.8 | -179.2 | -179.1 | 178.9 | -172.1 | 0 | 112.4 | Y826 K829 I835 | Y826-K831 HydrophobicContact CE1-CB 4.22Å; Y826-K831 HydrophobicContact CE1-CD 4.49Å; Y826-K831 HydrophobicContact CE1-CG 4.5Å; Y826-K831 WeakPolarHBondContact O-CB 3.34Å; Y826-K831 PolarHBondContact O-N 3.28Å; K829-K831 PolarHBondContact O-N 3.19Å; K831-I835 WeakPolarHBondContact O-CD1 3.41Å; K831-I835 WeakPolarHBondContact O-CG1 3.23Å; K831-I835 PolarHBondContact O-N 2.91Å |
| 832 | G | 93.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.2 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y810 K829 L830 S834 I835 C836 | Y810-G832 WeakPolarHBondContact OH-CA 3.2Å; K829-G832 PolarHBondContact O-N 3.34Å; L830-G832 PolarHBondContact O-N 3.28Å; G832-S834 PolarHBondContact O-N 3.47Å; G832-I835 PolarHBondContact O-N 3.35Å; G832-I835 VanDerWaalsContact O-N 3.13Å; G832-C836 PolarHBondContact O-N 3.42Å |
| 833 | I | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 175.2 | -61 | 175.6 | 0 | 0 | 0 | 111.5 | K829 L830 I835 C836 F837 L872 I876 | K829-I833 HydrophobicContact CG-CD1 3.95Å; K829-I833 WeakPolarHBondContact O-CG1 3.42Å; K829-I833 PolarHBondContact O-N 3.17Å; L830-I833 PolarHBondContact O-N 2.81Å; I833-I835 VanDerWaalsContact C-N 3.28Å; I833-I835 PolarHBondContact O-N 3.1Å; I833-C836 WeakPolarHBondContact O-CB 3.32Å; I833-C836 PolarHBondContact O-N 3.49Å; I833-C836 VanDerWaalsContact O-N 3.09Å; I833-F837 HydrophobicContact CG2-CD1 4.24Å; I833-F837 HydrophobicContact CG2-CD2 4.38Å; I833-F837 HydrophobicContact CG2-CE1 3.64Å; I833-F837 HydrophobicContact CG2-CE2 3.83Å; I833-F837 HydrophobicContact CG2-CZ 3.43Å; I833-F837 VanDerWaalsContact CG2-CZ 3.43Å; I833-F837 WeakPolarHBondContact O-CG 3.44Å; I833-F837 PolarHBondContact O-N 3.43Å; I833-L872 HydrophobicContact CD1-CD2 4.02Å; I833-L872 HydrophobicContact CG1-CD2 3.99Å; I833-L872 HydrophobicContact CG2-CB 4.01Å; I833-L872 HydrophobicContact CG2-CD1 4.27Å; I833-I876 HydrophobicContact CG2-CD1 4.04Å |
| 834 | S | 95.7 | Very high | 92.7 | Very high | 10 Ų | 10 | 26 Ų | 26 | 7% | 0.07 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.6 | -37.9 | 174.5 | 160.4 | 0 | 0 | 0 | 0 | 112.5 | L830 G832 F837 S838 S890 | L830-S834 WeakPolarHBondContact O-CB 3.5Å; L830-S834 PolarHBondContact O-N 3.01Å; G832-S834 PolarHBondContact O-N 3.47Å; S834-F837 PolarHBondContact O-N 3.32Å; S834-S838 PolarHBondContact O-N 3.47Å; S834-S838 PolarHBondContact O-OG 3.26Å; S834-S890 WeakPolarHBondContact O-CB 3.3Å; S834-S890 PolarHBondContact O-OG 3.45Å; S834-S890 PolarHBondContact OG-OG 3.07Å |
| 835 | I | 96.4 | Very high | 93 | Very high | 15 Ų | 15 | 23.7 Ų | 23.7 | 8% | 0.077 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70 | -40.4 | 175.2 | -62 | 159.7 | 0 | 0 | 0 | 110.8 | T770 L773 K774 A777 K831 G832 I833 F837 S838 M839 | T770-I835 HydrophobicContact CG2-CD1 3.83Å; L773-I835 HydrophobicContact CB-CB 4.37Å; L773-I835 HydrophobicContact CB-CG2 3.68Å; K774-I835 HydrophobicContact CG-CD1 3.97Å; K774-I835 HydrophobicContact CG-CG1 4.44Å; K774-I835 HydrophobicContact CG-CG2 4.38Å; A777-I835 HydrophobicContact CB-CG2 4.21Å; K831-I835 WeakPolarHBondContact O-CD1 3.41Å; K831-I835 WeakPolarHBondContact O-CG1 3.23Å; K831-I835 PolarHBondContact O-N 2.91Å; G832-I835 PolarHBondContact O-N 3.35Å; G832-I835 VanDerWaalsContact O-N 3.13Å; I833-I835 VanDerWaalsContact C-N 3.28Å; I833-I835 PolarHBondContact O-N 3.1Å; I835-F837 VanDerWaalsContact C-N 3.32Å; I835-F837 PolarHBondContact O-N 3.47Å; I835-S838 PolarHBondContact O-N 3.03Å; I835-M839 WeakPolarHBondContact O-CB 3.38Å; I835-M839 PolarHBondContact O-N 3.4Å |
| 836 | C | 97.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 173.3 | -69.4 | 0 | 0 | 0 | 0 | 112.1 | Y810 G832 I833 S838 M839 L840 L872 | Y810-C836 VanDerWaalsContact CD1-SG 3.53Å; G832-C836 PolarHBondContact O-N 3.42Å; I833-C836 WeakPolarHBondContact O-CB 3.32Å; I833-C836 PolarHBondContact O-N 3.49Å; I833-C836 VanDerWaalsContact O-N 3.09Å; C836-S838 VanDerWaalsContact C-N 3.35Å; C836-M839 PolarHBondContact O-N 2.82Å; C836-L840 WeakPolarHBondContact O-CB 3.32Å; C836-L840 PolarHBondContact O-N 3Å; C836-L872 HydrophobicContact CB-CD1 4.4Å |
| 837 | F | 96.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 174.7 | -66.1 | -10.2 | 0 | 0 | 0 | 111.5 | I833 S834 I835 M839 L840 K841 F869 L872 I876 L887 Y891 L894 | I833-F837 HydrophobicContact CG2-CD1 4.24Å; I833-F837 HydrophobicContact CG2-CD2 4.38Å; I833-F837 HydrophobicContact CG2-CE1 3.64Å; I833-F837 HydrophobicContact CG2-CE2 3.83Å; I833-F837 HydrophobicContact CG2-CZ 3.43Å; I833-F837 VanDerWaalsContact CG2-CZ 3.43Å; I833-F837 WeakPolarHBondContact O-CG 3.44Å; I833-F837 PolarHBondContact O-N 3.43Å; S834-F837 PolarHBondContact O-N 3.32Å; I835-F837 VanDerWaalsContact C-N 3.32Å; I835-F837 PolarHBondContact O-N 3.47Å; F837-M839 VanDerWaalsContact C-N 3.34Å; F837-M839 PolarHBondContact O-N 3.21Å; F837-L840 PolarHBondContact O-N 2.88Å; F837-K841 VanDerWaalsContact O-CB 3.28Å; F837-K841 WeakPolarHBondContact O-CB 3.42Å; F837-K841 PolarHBondContact O-N 2.75Å; F837-F869 AromaticContact CD1-CD2 3.69Å; F837-F869 HydrophobicContact CD1-CD2 3.69Å; F837-F869 HydrophobicContact CD1-CE2 4.07Å; F837-F869 AromaticContact CE1-CD2 3.45Å; F837-F869 HydrophobicContact CE1-CD2 3.45Å; F837-F869 VanDerWaalsContact CE1-CD2 3.45Å; F837-F869 AromaticContact CE1-CE2 3.82Å; F837-F869 HydrophobicContact CE1-CE2 3.82Å; F837-F869 HydrophobicContact CZ-CD2 4.19Å; F837-F869 HydrophobicContact CZ-CE2 4.14Å; F837-L872 HydrophobicContact CE1-CB 4.09Å; F837-L872 HydrophobicContact CZ-CB 4.41Å; F837-I876 HydrophobicContact CE2-CD1 3.97Å; F837-I876 HydrophobicContact CZ-CD1 3.99Å; F837-L887 HydrophobicContact CD2-CD1 4.47Å; F837-L887 HydrophobicContact CE2-CD1 4.29Å; F837-Y891 HydrophobicContact CD2-CD2 4.45Å; F837-Y891 HydrophobicContact CE2-CD2 4.13Å; F837-L894 HydrophobicContact CB-CD2 3.89Å; F837-L894 HydrophobicContact CD1-CD2 4.06Å; F837-L894 HydrophobicContact CG-CD2 4.11Å |
| 838 | S | 96.3 | Very high | 92.9 | Very high | 46 Ų | 46 | 24.5 Ų | 24.5 | 32% | 0.322 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -64.2 | -39 | 177.4 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | S834 I835 C836 K841 A842 S890 | S834-S838 PolarHBondContact O-N 3.47Å; S834-S838 PolarHBondContact O-OG 3.26Å; I835-S838 PolarHBondContact O-N 3.03Å; C836-S838 VanDerWaalsContact C-N 3.35Å; S838-K841 PolarHBondContact O-N 2.65Å; S838-A842 WeakPolarHBondContact O-CB 3.37Å; S838-A842 PolarHBondContact O-N 3.13Å; S838-S890 PolarHBondContact OG-OG 2.9Å |
| 839 | M | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.5 | -48.6 | 176.9 | -174.2 | -173.6 | -50.7 | 0 | 0 | 111.4 | L773 M776 A777 T803 I807 I835 C836 F837 K841 A842 A843 | L773-M839 HydrophobicContact CB-CE 4.36Å; L773-M839 HydrophobicContact CD2-CE 4.16Å; L773-M839 VanDerWaalsContact O-CE 3.22Å; L773-M839 WeakPolarHBondContact O-CE 3.27Å; M776-M839 HydrophobicContact CB-CE 3.65Å; M776-M839 HydrophobicContact CB-SD 4.01Å; A777-M839 HydrophobicContact CB-CB 4.14Å; A777-M839 HydrophobicContact CB-CE 4.34Å; A777-M839 HydrophobicContact CB-CG 4.44Å; T803-M839 HydrophobicContact CG2-CG 3.7Å; T803-M839 HydrophobicContact CG2-SD 3.76Å; I807-M839 HydrophobicContact CD1-CG 4.29Å; I807-M839 HydrophobicContact CD1-SD 4.07Å; I807-M839 HydrophobicContact CG1-SD 3.72Å; I835-M839 WeakPolarHBondContact O-CB 3.38Å; I835-M839 PolarHBondContact O-N 3.4Å; C836-M839 PolarHBondContact O-N 2.82Å; F837-M839 VanDerWaalsContact C-N 3.34Å; F837-M839 PolarHBondContact O-N 3.21Å; M839-K841 VanDerWaalsContact C-N 3.31Å; M839-K841 PolarHBondContact O-N 3.33Å; M839-A842 PolarHBondContact O-N 3.3Å; M839-A843 PolarHBondContact O-N 3.28Å |
| 840 | L | 96.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 176.5 | -175.7 | 56.9 | 0 | 0 | 0 | 111.1 | I807 C836 F837 A842 A843 L844 A865 L866 F869 L894 | I807-L840 HydrophobicContact CD1-CB 4.07Å; I807-L840 HydrophobicContact CD1-CD1 4.43Å; C836-L840 WeakPolarHBondContact O-CB 3.32Å; C836-L840 PolarHBondContact O-N 3Å; F837-L840 PolarHBondContact O-N 2.88Å; L840-A842 PolarHBondContact O-N 2.89Å; L840-A843 WeakPolarHBondContact O-CB 3.46Å; L840-A843 PolarHBondContact O-N 3.43Å; L840-L844 HydrophobicContact CD1-CD1 4.05Å; L840-L844 HydrophobicContact CD1-CD2 4.43Å; L840-L844 HydrophobicContact CD1-CG 4.04Å; L840-L844 HydrophobicContact CG-CD1 3.97Å; L840-L844 HydrophobicContact CG-CG 4.35Å; L840-L844 VanDerWaalsContact O-CG 3.31Å; L840-L844 WeakPolarHBondContact O-CG 3.49Å; L840-L844 PolarHBondContact O-N 3.43Å; L840-A865 HydrophobicContact CD1-CB 4.28Å; L840-L866 HydrophobicContact CD2-CD2 4.44Å; L840-F869 HydrophobicContact CD2-CB 3.83Å; L840-F869 HydrophobicContact CD2-CG 4.25Å; L840-L894 HydrophobicContact CB-CD1 4.21Å; L840-L894 HydrophobicContact CB-CD2 4.34Å; L840-L894 HydrophobicContact CD2-CD1 4.23Å; L840-L894 HydrophobicContact CD2-CD2 4.06Å; L840-L894 HydrophobicContact CG-CD1 3.97Å; L840-L894 HydrophobicContact CG-CD2 4.45Å |
| 841 | K | 95.1 | Very high | 92.5 | Very high | 71 Ų | 71 | 28 Ų | 28 | 31% | 0.309 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -58.3 | -50.2 | 175.5 | -176.9 | -88 | 177.6 | -175.9 | 0 | 110.9 | F837 S838 M839 A843 L844 S845 L894 V897 | F837-K841 VanDerWaalsContact O-CB 3.28Å; F837-K841 WeakPolarHBondContact O-CB 3.42Å; F837-K841 PolarHBondContact O-N 2.75Å; S838-K841 PolarHBondContact O-N 2.65Å; M839-K841 VanDerWaalsContact C-N 3.31Å; M839-K841 PolarHBondContact O-N 3.33Å; K841-A843 VanDerWaalsContact C-N 3.27Å; K841-A843 PolarHBondContact O-N 3.04Å; K841-L844 PolarHBondContact O-N 2.69Å; K841-S845 WeakPolarHBondContact O-CB 3.48Å; K841-S845 PolarHBondContact O-N 3.04Å; K841-S845 PolarHBondContact O-OG 3.44Å; K841-L894 HydrophobicContact CB-CB 4.07Å; K841-L894 HydrophobicContact CB-CD1 3.95Å; K841-V897 HydrophobicContact CG-CG2 3.98Å |
| 842 | A | 93.9 | Very high | 92 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 7% | 0.074 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.3 | -40.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V780 H781 S838 M839 L840 G846 | V780-A842 HydrophobicContact CG1-CB 4.23Å; H781-A842 HydrophobicContact CB-CB 4.45Å; S838-A842 WeakPolarHBondContact O-CB 3.37Å; S838-A842 PolarHBondContact O-N 3.13Å; M839-A842 PolarHBondContact O-N 3.3Å; L840-A842 PolarHBondContact O-N 2.89Å; A842-G846 WeakPolarHBondContact O-CA 3.49Å; A842-G846 PolarHBondContact O-N 3.13Å |
| 843 | A | 93.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -49.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V780 F800 M839 L840 K841 G846 | V780-A843 VanDerWaalsContact CG1-CA 3.4Å; V780-A843 HydrophobicContact CG1-CB 3.45Å; V780-A843 VanDerWaalsContact CG1-CB 3.45Å; F800-A843 HydrophobicContact CD2-CB 3.91Å; F800-A843 HydrophobicContact CE2-CB 3.95Å; M839-A843 PolarHBondContact O-N 3.28Å; L840-A843 WeakPolarHBondContact O-CB 3.46Å; L840-A843 PolarHBondContact O-N 3.43Å; K841-A843 VanDerWaalsContact C-N 3.27Å; K841-A843 PolarHBondContact O-N 3.04Å; A843-G846 PolarHBondContact O-N 3.03Å |
| 844 | L | 92.3 | Very high | 91.2 | Very high | 10 Ų | 10 | 28.3 Ų | 28.3 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.2 | -41.4 | -176.8 | -64.3 | 177.3 | 0 | 0 | 0 | 112 | L840 K841 G846 F851 L862 L894 V897 L898 | L840-L844 HydrophobicContact CD1-CD1 4.05Å; L840-L844 HydrophobicContact CD1-CD2 4.43Å; L840-L844 HydrophobicContact CD1-CG 4.04Å; L840-L844 HydrophobicContact CG-CD1 3.97Å; L840-L844 HydrophobicContact CG-CG 4.35Å; L840-L844 VanDerWaalsContact O-CG 3.31Å; L840-L844 WeakPolarHBondContact O-CG 3.49Å; L840-L844 PolarHBondContact O-N 3.43Å; K841-L844 PolarHBondContact O-N 2.69Å; L844-G846 VanDerWaalsContact C-N 3.31Å; L844-G846 PolarHBondContact O-N 2.66Å; L844-F851 HydrophobicContact CD2-CD2 4.44Å; L844-F851 HydrophobicContact CD2-CE1 4.1Å; L844-F851 HydrophobicContact CD2-CE2 3.89Å; L844-F851 HydrophobicContact CD2-CZ 3.71Å; L844-L862 HydrophobicContact CD2-CD1 4.05Å; L844-L894 HydrophobicContact CD1-CD1 4.21Å; L844-V897 HydrophobicContact CB-CG1 3.81Å; L844-L898 HydrophobicContact CD1-CD2 3.6Å; L844-L898 HydrophobicContact CD1-CG 4.41Å |
| 845 | S | 91.1 | Very high | 90.6 | Very high | 45 Ų | 45 | 38.3 Ų | 38.3 | 32% | 0.315 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -81.4 | -7.1 | 178.5 | 68.2 | 0 | 0 | 0 | 0 | 114.3 | K841 S847 | K841-S845 WeakPolarHBondContact O-CB 3.48Å; K841-S845 PolarHBondContact O-N 3.04Å; K841-S845 PolarHBondContact O-OG 3.44Å; S845-S847 VanDerWaalsContact C-N 3.26Å; S845-S847 PolarHBondContact O-N 3.45Å |
| 846 | G | 85.4 | Confident | 90 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -16.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115 | N782 A842 A843 L844 Y848 | N782-G846 PolarHBondContact ND2-O 2.98Å; A842-G846 WeakPolarHBondContact O-CA 3.49Å; A842-G846 PolarHBondContact O-N 3.13Å; A843-G846 PolarHBondContact O-N 3.03Å; L844-G846 VanDerWaalsContact C-N 3.31Å; L844-G846 PolarHBondContact O-N 2.66Å; G846-Y848 PolarHBondContact O-N 2.77Å; G846-Y848 VanDerWaalsContact O-N 3.09Å |
| 847 | S | 86.6 | Confident | 89.4 | Confident | 116 Ų | 116 | 53.8 Ų | 53.8 | 81% | 0.811 | 28% | 0.28 | S | S | * | . | trans | 57.1 | 18.3 | 179 | -55.7 | 0 | 0 | 0 | 0 | 115.7 | S845 | S845-S847 VanDerWaalsContact C-N 3.26Å; S845-S847 PolarHBondContact O-N 3.45Å | ||
| 848 | Y | 88 | Confident | 88.7 | Confident | 20 Ų | 20 | 56.5 Ų | 56.5 | 8% | 0.078 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -104.4 | -2.8 | -177.6 | 67.1 | -99.1 | 0 | 0 | 0 | 113.7 | V780 N782 L787 F789 L799 G846 | V780-Y848 WeakPolarHBondContact CG1-OH 3.28Å; N782-Y848 HydrophobicContact CB-CD1 4.47Å; L787-Y848 HydrophobicContact CB-CD1 3.9Å; L787-Y848 HydrophobicContact CB-CG 3.91Å; L787-Y848 HydrophobicContact CD1-CD1 3.52Å; L787-Y848 HydrophobicContact CD1-CE1 3.48Å; L787-Y848 VanDerWaalsContact CD1-CE1 3.48Å; L787-Y848 HydrophobicContact CD1-CG 4.13Å; L787-Y848 HydrophobicContact CG-CD1 4.35Å; L787-Y848 WeakPolarHBondContact O-CB 3.47Å; F789-Y848 HydrophobicContact CD2-CD2 4.17Å; F789-Y848 HydrophobicContact CD2-CG 4.46Å; F789-Y848 AromaticContact CE2-CD2 3.56Å; F789-Y848 HydrophobicContact CE2-CD2 3.56Å; F789-Y848 HydrophobicContact CE2-CE2 4.42Å; F789-Y848 AromaticContact CE2-CG 3.99Å; F789-Y848 HydrophobicContact CE2-CG 3.99Å; L799-Y848 HydrophobicContact CD2-CE2 3.89Å; L799-Y848 HydrophobicContact CG-CE2 4.35Å; G846-Y848 PolarHBondContact O-N 2.77Å; G846-Y848 VanDerWaalsContact O-N 3.09Å |
| 849 | V | 87.5 | Confident | 88.4 | Confident | 17 Ų | 17 | 56.6 Ų | 56.6 | 10% | 0.103 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -132.8 | 134.9 | 175.1 | -167.3 | 0 | 0 | 0 | 0 | 109.8 | G796 I797 F800 F851 F854 | G796-V849 VanDerWaalsContact C-CG2 3.47Å; G796-V849 WeakPolarHBondContact O-CG2 3.48Å; I797-V849 HydrophobicContact CG1-CG1 4.12Å; F800-V849 HydrophobicContact CB-CG2 4.08Å; V849-F851 HydrophobicContact CB-CE1 4.38Å; V849-F851 HydrophobicContact CB-CZ 4.33Å; V849-F851 HydrophobicContact CG1-CE1 4.49Å; V849-F851 PolarHBondContact O-N 3.05Å; V849-F854 HydrophobicContact CG1-CE2 3.66Å; V849-F854 HydrophobicContact CG1-CZ 4.08Å |
| 850 | N | 85.7 | Confident | 88.2 | Confident | 117 Ų | 117 | 61.4 Ų | 61.4 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | trans | -86.7 | 104.4 | 165.2 | -173 | -23.6 | 0 | 0 | 0 | 109.5 | G852 V853 | N850-G852 PolarHBondContact O-N 3.46Å; N850-G852 VanDerWaalsContact O-N 3.14Å; N850-G852 PolarHBondContact OD1-N 2.84Å; N850-V853 HydrophobicContact CB-CG2 4.06Å; N850-V853 VanDerWaalsContact O-CB 3.27Å; N850-V853 WeakPolarHBondContact O-CB 3.43Å; N850-V853 VanDerWaalsContact O-CG2 3.29Å; N850-V853 WeakPolarHBondContact O-CG2 3.34Å; N850-V853 PolarHBondContact O-N 3.25Å; N850-V853 VanDerWaalsContact O-N 3.1Å | ||
| 851 | F | 86.2 | Confident | 88 | Confident | 30 Ų | 30 | 61.5 Ų | 61.5 | 13% | 0.132 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -18.6 | -177 | -70.4 | -67.2 | 0 | 0 | 0 | 114.7 | F800 L844 V849 V853 F854 L862 | F800-F851 HydrophobicContact CD1-CE1 4.07Å; F800-F851 AromaticContact CD2-CE1 3.62Å; F800-F851 HydrophobicContact CD2-CE1 3.62Å; F800-F851 HydrophobicContact CD2-CZ 4.09Å; F800-F851 HydrophobicContact CE1-CD1 4.33Å; F800-F851 AromaticContact CE1-CE1 3.9Å; F800-F851 HydrophobicContact CE1-CE1 3.9Å; F800-F851 AromaticContact CE2-CE1 3.47Å; F800-F851 HydrophobicContact CE2-CE1 3.47Å; F800-F851 VanDerWaalsContact CE2-CE1 3.47Å; F800-F851 HydrophobicContact CE2-CZ 4.01Å; F800-F851 AromaticContact CG-CE1 3.92Å; F800-F851 HydrophobicContact CG-CE1 3.92Å; F800-F851 HydrophobicContact CZ-CD1 4.28Å; F800-F851 AromaticContact CZ-CE1 3.61Å; F800-F851 HydrophobicContact CZ-CE1 3.61Å; L844-F851 HydrophobicContact CD2-CD2 4.44Å; L844-F851 HydrophobicContact CD2-CE1 4.1Å; L844-F851 HydrophobicContact CD2-CE2 3.89Å; L844-F851 HydrophobicContact CD2-CZ 3.71Å; V849-F851 HydrophobicContact CB-CE1 4.38Å; V849-F851 HydrophobicContact CB-CZ 4.33Å; V849-F851 HydrophobicContact CG1-CE1 4.49Å; V849-F851 PolarHBondContact O-N 3.05Å; F851-V853 PolarHBondContact O-N 2.99Å; F851-F854 AromaticContact CD1-CD2 4Å; F851-F854 HydrophobicContact CD1-CD2 4Å; F851-F854 AromaticContact CD1-CE2 3.78Å; F851-F854 HydrophobicContact CD1-CE2 3.78Å; F851-F854 HydrophobicContact CE1-CE2 4.23Å; F851-F854 PolarHBondContact O-N 3Å; F851-L862 HydrophobicContact CB-CD2 3.89Å; F851-L862 HydrophobicContact CD1-CD1 3.85Å; F851-L862 HydrophobicContact CD1-CD2 4.03Å; F851-L862 HydrophobicContact CD1-CG 4.42Å; F851-L862 HydrophobicContact CE1-CD1 4.18Å; F851-L862 HydrophobicContact CG-CD2 4.23Å |
| 852 | G | 82.1 | Confident | 87.9 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 40% | 0.402 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.2 | -23.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | N850 F854 R855 L856 | N850-G852 PolarHBondContact O-N 3.46Å; N850-G852 VanDerWaalsContact O-N 3.14Å; N850-G852 PolarHBondContact OD1-N 2.84Å; G852-F854 PolarHBondContact O-N 3.33Å; G852-R855 PolarHBondContact O-N 3.03Å; G852-L856 WeakPolarHBondContact O-CG 3.46Å; G852-L856 PolarHBondContact O-N 2.83Å |
| 853 | V | 84.8 | Confident | 87.8 | Confident | 31 Ų | 31 | 62.7 Ų | 62.7 | 19% | 0.188 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.6 | -38.5 | -179.2 | 177.4 | 0 | 0 | 0 | 0 | 112 | I797 N850 F851 R855 L856 Y857 | I797-V853 HydrophobicContact CD1-CG1 3.79Å; N850-V853 HydrophobicContact CB-CG2 4.06Å; N850-V853 VanDerWaalsContact O-CB 3.27Å; N850-V853 WeakPolarHBondContact O-CB 3.43Å; N850-V853 VanDerWaalsContact O-CG2 3.29Å; N850-V853 WeakPolarHBondContact O-CG2 3.34Å; N850-V853 PolarHBondContact O-N 3.25Å; N850-V853 VanDerWaalsContact O-N 3.1Å; F851-V853 PolarHBondContact O-N 2.99Å; V853-R855 VanDerWaalsContact C-N 3.32Å; V853-R855 PolarHBondContact O-N 2.75Å; V853-L856 PolarHBondContact O-N 3.44Å; V853-L856 VanDerWaalsContact O-N 3.11Å; V853-Y857 HydrophobicContact CG1-CD2 3.42Å; V853-Y857 VanDerWaalsContact CG1-CD2 3.42Å; V853-Y857 HydrophobicContact CG1-CE2 3.54Å; V853-Y857 WeakPolarHBondContact O-CD2 3.47Å; V853-Y857 PolarHBondContact O-N 2.89Å |
| 854 | F | 87.5 | Confident | 87.8 | Confident | 6 Ų | 6 | 65.7 Ų | 65.7 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 178.5 | -68.3 | -72.6 | 0 | 0 | 0 | 111.8 | I797 F800 V849 F851 G852 L856 Y857 G858 D859 A861 L862 | I797-F854 HydrophobicContact CG2-CE1 3.72Å; I797-F854 HydrophobicContact CG2-CZ 3.79Å; F800-F854 HydrophobicContact CB-CZ 4.17Å; F800-F854 AromaticContact CD1-CE1 3.99Å; F800-F854 HydrophobicContact CD1-CE1 3.99Å; F800-F854 AromaticContact CD1-CE2 3.58Å; F800-F854 HydrophobicContact CD1-CE2 3.58Å; F800-F854 AromaticContact CD1-CZ 3.29Å; F800-F854 HydrophobicContact CD1-CZ 3.29Å; F800-F854 HydrophobicContact CE1-CE2 4.02Å; F800-F854 HydrophobicContact CE1-CZ 4.06Å; F800-F854 HydrophobicContact CG-CE2 4.33Å; F800-F854 HydrophobicContact CG-CZ 4.07Å; V849-F854 HydrophobicContact CG1-CE2 3.66Å; V849-F854 HydrophobicContact CG1-CZ 4.08Å; F851-F854 AromaticContact CD1-CD2 4Å; F851-F854 HydrophobicContact CD1-CD2 4Å; F851-F854 AromaticContact CD1-CE2 3.78Å; F851-F854 HydrophobicContact CD1-CE2 3.78Å; F851-F854 HydrophobicContact CE1-CE2 4.23Å; F851-F854 PolarHBondContact O-N 3Å; G852-F854 PolarHBondContact O-N 3.33Å; F854-L856 VanDerWaalsContact C-N 3.34Å; F854-L856 PolarHBondContact O-N 3.37Å; F854-Y857 PolarHBondContact O-N 3.02Å; F854-G858 PolarHBondContact O-N 2.97Å; F854-D859 WeakPolarHBondContact CB-O 3.37Å; F854-D859 HydrophobicContact CD1-CB 3.88Å; F854-D859 PolarHBondContact O-N 2.86Å; F854-A861 HydrophobicContact CD1-CB 4.07Å; F854-A861 HydrophobicContact CE1-CB 3.98Å; F854-L862 HydrophobicContact CD2-CB 4.35Å; F854-L862 HydrophobicContact CG-CB 4.47Å |
| 855 | R | 83.1 | Confident | 87.9 | Confident | 220 Ų | 220 | 65.2 Ų | 65.2 | 83% | 0.83 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.5 | -33.1 | 176.8 | -169.9 | 174.9 | -177.9 | 164.1 | 4.9 | 113 | G852 V853 | G852-R855 PolarHBondContact O-N 3.03Å; V853-R855 VanDerWaalsContact C-N 3.32Å; V853-R855 PolarHBondContact O-N 2.75Å |
| 856 | L | 83.7 | Confident | 88.1 | Confident | 144 Ų | 144 | 63.3 Ų | 63.3 | 75% | 0.754 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -70.3 | -37.3 | 178.5 | -72.1 | 170.7 | 0 | 0 | 0 | 112.5 | G852 V853 F854 | G852-L856 WeakPolarHBondContact O-CG 3.46Å; G852-L856 PolarHBondContact O-N 2.83Å; V853-L856 PolarHBondContact O-N 3.44Å; V853-L856 VanDerWaalsContact O-N 3.11Å; F854-L856 VanDerWaalsContact C-N 3.34Å; F854-L856 PolarHBondContact O-N 3.37Å |
| 857 | Y | 84.3 | Confident | 88.5 | Confident | 199 Ų | 199 | 68.1 Ų | 68.1 | 78% | 0.78 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -95.2 | -1.1 | -179.5 | -70.5 | -74.7 | 0 | 0 | 0 | 114.2 | V853 F854 | V853-Y857 HydrophobicContact CG1-CD2 3.42Å; V853-Y857 VanDerWaalsContact CG1-CD2 3.42Å; V853-Y857 HydrophobicContact CG1-CE2 3.54Å; V853-Y857 WeakPolarHBondContact O-CD2 3.47Å; V853-Y857 PolarHBondContact O-N 2.89Å; F854-Y857 PolarHBondContact O-N 3.02Å |
| 858 | G | 83.3 | Confident | 88.9 | Confident | 59 Ų | 59 | 62.7 Ų | 62.7 | 61% | 0.608 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 32.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F854 | F854-G858 PolarHBondContact O-N 2.97Š|
| 859 | D | 89.4 | Confident | 89.3 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | trans | -95.2 | 117.1 | 175.9 | -176.3 | -25 | 0 | 0 | 0 | 109.9 | F854 A861 | F854-D859 WeakPolarHBondContact CB-O 3.37Å; F854-D859 HydrophobicContact CD1-CB 3.88Å; F854-D859 PolarHBondContact O-N 2.86Å; D859-A861 PolarHBondContact O-N 3.03Å; D859-A861 WeakPolarHBondContact OD1-CB 3.26Å; D859-A861 PolarHBondContact OD1-N 3.06Å | ||
| 860 | D | 91.6 | Very high | 89.6 | Confident | 100 Ų | 100 | 62 Ų | 62 | 54% | 0.535 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 7.3 | -175.9 | -59.7 | -40.6 | 0 | 0 | 0 | 113.8 | L862 D863 N864 | D860-L862 VanDerWaalsContact C-N 3.34Å; D860-L862 PolarHBondContact O-N 3.04Å; D860-D863 PolarHBondContact O-N 3.24Å; D860-N864 WeakPolarHBondContact O-CB 3.31Å; D860-N864 VanDerWaalsContact O-CG 3.25Å; D860-N864 PolarHBondContact O-N 3.43Å; D860-N864 PolarHBondContact O-ND2 3.49Å |
| 861 | A | 92.4 | Very high | 90.1 | Very high | 5 Ų | 5 | 61.1 Ų | 61.1 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.5 | -44.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F800 R801 S804 F854 D859 A865 | F800-A861 HydrophobicContact CD1-CB 4.45Å; F800-A861 HydrophobicContact CE1-CB 4.33Å; R801-A861 HydrophobicContact CG-CB 4.23Å; S804-A861 VanDerWaalsContact CB-O 3.28Å; S804-A861 WeakPolarHBondContact CB-O 3.32Å; S804-A861 PolarHBondContact OG-O 3.36Å; F854-A861 HydrophobicContact CD1-CB 4.07Å; F854-A861 HydrophobicContact CE1-CB 3.98Å; D859-A861 PolarHBondContact O-N 3.03Å; D859-A861 WeakPolarHBondContact OD1-CB 3.26Å; D859-A861 PolarHBondContact OD1-N 3.06Å; A861-A865 PolarHBondContact O-N 3.46Å |
| 862 | L | 92.8 | Very high | 90.5 | Very high | 22 Ų | 22 | 59.8 Ų | 59.8 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.8 | -45.8 | 179.1 | 178.6 | 62.3 | 0 | 0 | 0 | 111.5 | F800 L844 F851 F854 D860 N864 A865 L866 | F800-L862 HydrophobicContact CE1-CB 4Å; F800-L862 HydrophobicContact CE1-CD1 4.15Å; F800-L862 HydrophobicContact CZ-CB 4.33Å; F800-L862 HydrophobicContact CZ-CD1 3.64Å; L844-L862 HydrophobicContact CD2-CD1 4.05Å; F851-L862 HydrophobicContact CB-CD2 3.89Å; F851-L862 HydrophobicContact CD1-CD1 3.85Å; F851-L862 HydrophobicContact CD1-CD2 4.03Å; F851-L862 HydrophobicContact CD1-CG 4.42Å; F851-L862 HydrophobicContact CE1-CD1 4.18Å; F851-L862 HydrophobicContact CG-CD2 4.23Å; F854-L862 HydrophobicContact CD2-CB 4.35Å; F854-L862 HydrophobicContact CG-CB 4.47Å; D860-L862 VanDerWaalsContact C-N 3.34Å; D860-L862 PolarHBondContact O-N 3.04Å; L862-N864 PolarHBondContact O-N 3.24Å; L862-A865 PolarHBondContact O-N 3.23Å; L862-L866 HydrophobicContact CD1-CD1 3.96Å; L862-L866 HydrophobicContact CD1-CG 4.15Å; L862-L866 HydrophobicContact CG-CD1 3.91Å; L862-L866 HydrophobicContact CG-CG 4.46Å; L862-L866 WeakPolarHBondContact O-CB 3.44Å; L862-L866 WeakPolarHBondContact O-CG 3.3Å; L862-L866 PolarHBondContact O-N 3.02Å |
| 863 | D | 91.6 | Very high | 91 | Very high | 82 Ų | 82 | 57.9 Ų | 57.9 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | -178.1 | -67.5 | -34.8 | 0 | 0 | 0 | 111.3 | D860 A865 L866 Q867 | D860-D863 PolarHBondContact O-N 3.24Å; D863-A865 PolarHBondContact O-N 3.37Å; D863-L866 PolarHBondContact O-N 2.99Å; D863-Q867 WeakPolarHBondContact O-CB 3.48Å; D863-Q867 VanDerWaalsContact O-CG 3.24Å; D863-Q867 WeakPolarHBondContact O-CG 3.36Å; D863-Q867 PolarHBondContact O-N 2.94Å |
| 864 | N | 94.1 | Very high | 91.4 | Very high | 65 Ų | 65 | 60.8 Ų | 60.8 | 35% | 0.348 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 175.2 | -74.9 | -39 | 0 | 0 | 0 | 112.6 | D860 L862 T868 | D860-N864 WeakPolarHBondContact O-CB 3.31Å; D860-N864 VanDerWaalsContact O-CG 3.25Å; D860-N864 PolarHBondContact O-N 3.43Å; D860-N864 PolarHBondContact O-ND2 3.49Å; L862-N864 PolarHBondContact O-N 3.24Å; N864-T868 WeakPolarHBondContact O-CB 3.27Å; N864-T868 PolarHBondContact O-N 2.99Å; N864-T868 PolarHBondContact O-OG1 2.99Å |
| 865 | A | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L840 A861 L862 D863 T868 F869 | L840-A865 HydrophobicContact CD1-CB 4.28Å; A861-A865 PolarHBondContact O-N 3.46Å; L862-A865 PolarHBondContact O-N 3.23Å; D863-A865 PolarHBondContact O-N 3.37Å; A865-T868 PolarHBondContact O-N 3.36Å; A865-F869 PolarHBondContact O-N 3.16Å |
| 866 | L | 94.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.4 | -43 | 178.5 | -71.9 | 176.8 | 0 | 0 | 0 | 112.2 | L840 L862 D863 T868 F869 I870 L898 F905 | L840-L866 HydrophobicContact CD2-CD2 4.44Å; L862-L866 HydrophobicContact CD1-CD1 3.96Å; L862-L866 HydrophobicContact CD1-CG 4.15Å; L862-L866 HydrophobicContact CG-CD1 3.91Å; L862-L866 HydrophobicContact CG-CG 4.46Å; L862-L866 WeakPolarHBondContact O-CB 3.44Å; L862-L866 WeakPolarHBondContact O-CG 3.3Å; L862-L866 PolarHBondContact O-N 3.02Å; D863-L866 PolarHBondContact O-N 2.99Å; L866-T868 VanDerWaalsContact C-N 3.33Å; L866-T868 PolarHBondContact O-N 3.49Å; L866-F869 WeakPolarHBondContact O-CB 3.43Å; L866-F869 PolarHBondContact O-N 3.37Å; L866-I870 WeakPolarHBondContact O-CG1 3.49Å; L866-I870 PolarHBondContact O-N 2.81Å; L866-I870 VanDerWaalsContact O-N 3.09Å; L866-L898 HydrophobicContact CD2-CD2 3.88Å; L866-F905 HydrophobicContact CB-CD2 4.4Å; L866-F905 HydrophobicContact CB-CE1 4.23Å; L866-F905 HydrophobicContact CB-CE2 3.71Å; L866-F905 HydrophobicContact CB-CZ 3.61Å; L866-F905 HydrophobicContact CD1-CD1 4.3Å; L866-F905 HydrophobicContact CD1-CD2 3.82Å; L866-F905 HydrophobicContact CD1-CE1 4.46Å; L866-F905 HydrophobicContact CD1-CE2 4Å; L866-F905 HydrophobicContact CD1-CG 3.98Å; L866-F905 HydrophobicContact CD1-CZ 4.32Å; L866-F905 HydrophobicContact CD2-CD1 4.22Å; L866-F905 HydrophobicContact CD2-CE1 3.96Å; L866-F905 HydrophobicContact CD2-CZ 4.23Å; L866-F905 HydrophobicContact CG-CE1 4.45Å; L866-F905 HydrophobicContact CG-CE2 4.36Å; L866-F905 HydrophobicContact CG-CZ 4.27Å |
| 867 | Q | 93.6 | Very high | 92 | Very high | 106 Ų | 106 | 47.8 Ų | 47.8 | 50% | 0.495 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 174.3 | -74.2 | -179.8 | 9 | 0 | 0 | 111.8 | D863 F869 I870 K871 | D863-Q867 WeakPolarHBondContact O-CB 3.48Å; D863-Q867 VanDerWaalsContact O-CG 3.24Å; D863-Q867 WeakPolarHBondContact O-CG 3.36Å; D863-Q867 PolarHBondContact O-N 2.94Å; Q867-F869 VanDerWaalsContact C-N 3.33Å; Q867-I870 PolarHBondContact O-N 3.23Å; Q867-K871 WeakPolarHBondContact O-CG 3.44Å; Q867-K871 PolarHBondContact O-N 3.47Å |
| 868 | T | 95.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 175.1 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | I807 N864 A865 L866 I870 K871 L872 | I807-T868 HydrophobicContact CG2-CG2 4.07Å; N864-T868 WeakPolarHBondContact O-CB 3.27Å; N864-T868 PolarHBondContact O-N 2.99Å; N864-T868 PolarHBondContact O-OG1 2.99Å; A865-T868 PolarHBondContact O-N 3.36Å; L866-T868 VanDerWaalsContact C-N 3.33Å; L866-T868 PolarHBondContact O-N 3.49Å; T868-I870 VanDerWaalsContact C-N 3.32Å; T868-I870 PolarHBondContact O-N 2.87Å; T868-K871 PolarHBondContact O-N 3.49Å; T868-L872 HydrophobicContact CG2-CD1 4.17Å; T868-L872 HydrophobicContact CG2-CG 4.32Å; T868-L872 WeakPolarHBondContact O-CG 3.49Å; T868-L872 PolarHBondContact O-N 2.68Å |
| 869 | F | 95.7 | Very high | 91.7 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 1% | 0.013 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54.9 | -46.1 | 172.3 | 160.3 | -106.6 | 0 | 0 | 0 | 112 | F837 L840 A865 L866 Q867 L872 L873 Y891 L894 L898 | F837-F869 AromaticContact CD1-CD2 3.69Å; F837-F869 HydrophobicContact CD1-CD2 3.69Å; F837-F869 HydrophobicContact CD1-CE2 4.07Å; F837-F869 AromaticContact CE1-CD2 3.45Å; F837-F869 HydrophobicContact CE1-CD2 3.45Å; F837-F869 VanDerWaalsContact CE1-CD2 3.45Å; F837-F869 AromaticContact CE1-CE2 3.82Å; F837-F869 HydrophobicContact CE1-CE2 3.82Å; F837-F869 HydrophobicContact CZ-CD2 4.19Å; F837-F869 HydrophobicContact CZ-CE2 4.14Å; L840-F869 HydrophobicContact CD2-CB 3.83Å; L840-F869 HydrophobicContact CD2-CG 4.25Å; A865-F869 PolarHBondContact O-N 3.16Å; L866-F869 WeakPolarHBondContact O-CB 3.43Å; L866-F869 PolarHBondContact O-N 3.37Å; Q867-F869 VanDerWaalsContact C-N 3.33Å; F869-L872 PolarHBondContact O-N 2.98Å; F869-L873 HydrophobicContact CZ-CD2 4.16Å; F869-L873 WeakPolarHBondContact O-CB 3.33Å; F869-L873 PolarHBondContact O-N 3.48Å; F869-Y891 HydrophobicContact CE2-CD2 4.44Å; F869-Y891 HydrophobicContact CE2-CE2 4.46Å; F869-Y891 HydrophobicContact CZ-CE2 4.27Å; F869-L894 HydrophobicContact CD2-CD2 3.52Å; F869-L894 HydrophobicContact CE2-CD2 3.47Å; F869-L894 VanDerWaalsContact CE2-CD2 3.47Å; F869-L894 HydrophobicContact CE2-CG 4.34Å; F869-L894 HydrophobicContact CG-CD2 4.31Å; F869-L894 HydrophobicContact CZ-CD2 4.22Å; F869-L898 HydrophobicContact CD1-CD1 4.12Å; F869-L898 HydrophobicContact CE1-CD1 3.55Å; F869-L898 HydrophobicContact CZ-CD1 3.87Å |
| 870 | I | 95.3 | Very high | 91.3 | Very high | 20 Ų | 20 | 39.9 Ų | 39.9 | 10% | 0.103 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 177.6 | -60.1 | -50.1 | 0 | 0 | 0 | 111.8 | L866 Q867 T868 L872 L873 L874 F905 L909 V913 | L866-I870 WeakPolarHBondContact O-CG1 3.49Å; L866-I870 PolarHBondContact O-N 2.81Å; L866-I870 VanDerWaalsContact O-N 3.09Å; Q867-I870 PolarHBondContact O-N 3.23Å; T868-I870 VanDerWaalsContact C-N 3.32Å; T868-I870 PolarHBondContact O-N 2.87Å; I870-L872 VanDerWaalsContact C-N 3.3Å; I870-L872 PolarHBondContact O-N 3.49Å; I870-L873 PolarHBondContact O-N 3.22Å; I870-L874 HydrophobicContact CG2-CD1 4.09Å; I870-L874 HydrophobicContact CG2-CG 4.39Å; I870-L874 WeakPolarHBondContact O-CG 3.36Å; I870-L874 PolarHBondContact O-N 3.03Å; I870-F905 HydrophobicContact CD1-CE1 4.29Å; I870-F905 HydrophobicContact CD1-CZ 4.1Å; I870-F905 HydrophobicContact CG1-CZ 3.98Å; I870-L909 HydrophobicContact CD1-CD1 3.96Å; I870-L909 HydrophobicContact CD1-CD2 3.92Å; I870-L909 HydrophobicContact CG1-CD2 3.89Å; I870-V913 HydrophobicContact CD1-CG1 3.89Å; I870-V913 HydrophobicContact CG2-CG1 3.86Å; I870-V913 HydrophobicContact CG2-CG2 3.79Å |
| 871 | K | 94.8 | Very high | 90.8 | Very high | 98 Ų | 98 | 35.2 Ų | 35.2 | 43% | 0.426 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.3 | -41.7 | 177.5 | -67.3 | 174.9 | -175.7 | 174.5 | 0 | 111.8 | L815 Q867 T868 S875 | L815-K871 HydrophobicContact CD1-CB 3.64Å; L815-K871 HydrophobicContact CD1-CD 4.48Å; Q867-K871 WeakPolarHBondContact O-CG 3.44Å; Q867-K871 PolarHBondContact O-N 3.47Å; T868-K871 PolarHBondContact O-N 3.49Å; K871-S875 PolarHBondContact O-N 3.2Å |
| 872 | L | 94.6 | Very high | 90 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.8 | -43.2 | 176.5 | -69.3 | 179 | 0 | 0 | 0 | 111.6 | I814 L815 I833 C836 F837 T868 F869 I870 L874 S875 I876 | I814-L872 HydrophobicContact CG2-CD2 3.8Å; L815-L872 HydrophobicContact CD1-CD2 4.18Å; L815-L872 HydrophobicContact CD2-CD2 4.05Å; L815-L872 HydrophobicContact CG-CD2 3.93Å; I833-L872 HydrophobicContact CD1-CD2 4.02Å; I833-L872 HydrophobicContact CG1-CD2 3.99Å; I833-L872 HydrophobicContact CG2-CB 4.01Å; I833-L872 HydrophobicContact CG2-CD1 4.27Å; C836-L872 HydrophobicContact CB-CD1 4.4Å; F837-L872 HydrophobicContact CE1-CB 4.09Å; F837-L872 HydrophobicContact CZ-CB 4.41Å; T868-L872 HydrophobicContact CG2-CD1 4.17Å; T868-L872 HydrophobicContact CG2-CG 4.32Å; T868-L872 WeakPolarHBondContact O-CG 3.49Å; T868-L872 PolarHBondContact O-N 2.68Å; F869-L872 PolarHBondContact O-N 2.98Å; I870-L872 VanDerWaalsContact C-N 3.3Å; I870-L872 PolarHBondContact O-N 3.49Å; L872-L874 PolarHBondContact O-N 3.04Å; L872-S875 WeakPolarHBondContact O-CB 3.34Å; L872-S875 PolarHBondContact O-N 2.89Å; L872-S875 VanDerWaalsContact O-N 3.12Å; L872-S875 PolarHBondContact O-OG 3.21Å; L872-I876 WeakPolarHBondContact O-CG1 3.13Å |
| 873 | L | 94 | Very high | 89.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.6 | -48.8 | 177.4 | 179.6 | 62.4 | 0 | 0 | 0 | 111.9 | F869 I870 S875 I876 Y891 Y916 I917 | F869-L873 HydrophobicContact CZ-CD2 4.16Å; F869-L873 WeakPolarHBondContact O-CB 3.33Å; F869-L873 PolarHBondContact O-N 3.48Å; I870-L873 PolarHBondContact O-N 3.22Å; L873-S875 PolarHBondContact O-N 3.34Å; L873-I876 PolarHBondContact O-N 3.43Å; L873-I876 VanDerWaalsContact O-N 3.16Å; L873-Y891 HydrophobicContact CD1-CD2 3.87Å; L873-Y891 HydrophobicContact CD1-CE2 3.29Å; L873-Y891 HydrophobicContact CD2-CE2 4.2Å; L873-Y891 HydrophobicContact CG-CE2 4.38Å; L873-Y916 HydrophobicContact CD1-CD1 3.99Å; L873-Y916 HydrophobicContact CD1-CE1 3.4Å; L873-Y916 HydrophobicContact CD2-CD1 4.01Å; L873-Y916 HydrophobicContact CD2-CE1 4.29Å; L873-Y916 HydrophobicContact CG-CD1 3.86Å; L873-Y916 HydrophobicContact CG-CE1 3.71Å; L873-I917 HydrophobicContact CD2-CD1 4.43Å; L873-I917 HydrophobicContact CD2-CG1 3.98Å |
| 874 | L | 91.8 | Very high | 89.1 | Confident | 91 Ų | 91 | 41.5 Ų | 41.5 | 48% | 0.476 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.2 | -14.5 | 179.6 | -67.2 | 176.9 | 0 | 0 | 0 | 113.6 | I870 L872 I876 V913 Y916 | I870-L874 HydrophobicContact CG2-CD1 4.09Å; I870-L874 HydrophobicContact CG2-CG 4.39Å; I870-L874 WeakPolarHBondContact O-CG 3.36Å; I870-L874 PolarHBondContact O-N 3.03Å; L872-L874 PolarHBondContact O-N 3.04Å; L874-I876 VanDerWaalsContact C-N 3.32Å; L874-V913 HydrophobicContact CD1-CG2 4.13Å; L874-V913 HydrophobicContact CD2-CG2 4.34Å; L874-Y916 HydrophobicContact CD2-CD2 4.35Å; L874-Y916 HydrophobicContact CD2-CG 4.5Å |
| 875 | S | 91.6 | Very high | 88.5 | Confident | 31 Ų | 31 | 42 Ų | 42 | 22% | 0.217 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -5.5 | 177 | 82.1 | 0 | 0 | 0 | 0 | 114 | L815 K871 L872 L873 | L815-S875 VanDerWaalsContact CD2-CB 3.43Å; K871-S875 PolarHBondContact O-N 3.2Å; L872-S875 WeakPolarHBondContact O-CB 3.34Å; L872-S875 PolarHBondContact O-N 2.89Å; L872-S875 VanDerWaalsContact O-N 3.12Å; L872-S875 PolarHBondContact O-OG 3.21Å; L873-S875 PolarHBondContact O-N 3.34Å |
| 876 | I | 90.4 | Very high | 88.1 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -102.7 | 127.6 | -178.4 | -56.7 | 168.1 | 0 | 0 | 0 | 108.3 | L830 I833 F837 L872 L873 L874 D880 L881 L887 Y916 | L830-I876 HydrophobicContact CD2-CG1 3.94Å; L830-I876 HydrophobicContact CD2-CG2 4.29Å; I833-I876 HydrophobicContact CG2-CD1 4.04Å; F837-I876 HydrophobicContact CE2-CD1 3.97Å; F837-I876 HydrophobicContact CZ-CD1 3.99Å; L872-I876 WeakPolarHBondContact O-CG1 3.13Å; L873-I876 PolarHBondContact O-N 3.43Å; L873-I876 VanDerWaalsContact O-N 3.16Å; L874-I876 VanDerWaalsContact C-N 3.32Å; I876-D880 HydrophobicContact CG2-CB 4.22Å; I876-L881 HydrophobicContact CG2-CD2 4Å; I876-L881 HydrophobicContact CG2-CG 3.93Å; I876-L887 HydrophobicContact CD1-CD1 4.23Å; I876-L887 HydrophobicContact CD1-CD2 4.4Å; I876-L887 HydrophobicContact CG2-CD2 4.05Å; I876-Y916 WeakPolarHBondContact O-CE2 3.48Å; I876-Y916 PolarHBondContact O-OH 3.07Å |
| 877 | P | 85.8 | Confident | 87.9 | Confident | 62 Ų | 62 | 48.3 Ų | 48.3 | 40% | 0.403 | 25% | 0.252 | S | S | . | . | trans | -67.9 | 146.4 | 168.1 | -19.3 | 32.3 | 0 | 0 | 0 | 112.1 | S879 D880 L881 | P877-S879 VanDerWaalsContact C-N 3.27Å; P877-S879 PolarHBondContact O-N 3.3Å; P877-D880 WeakPolarHBondContact CD-OD2 3.25Å; P877-D880 PolarHBondContact O-N 3.39Å; P877-D880 VanDerWaalsContact O-N 3.09Å; P877-L881 PolarHBondContact O-N 3.44Å | ||
| 878 | H | 81.4 | Confident | 87.6 | Confident | 49 Ų | 49 | 43.5 Ų | 43.5 | 23% | 0.227 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.6 | -39.7 | 175.6 | -74.6 | 84 | 0 | 0 | 0 | 113.4 | D880 L881 Y916 | H878-D880 VanDerWaalsContact C-N 3.27Å; H878-D880 PolarHBondContact O-N 2.8Å; H878-L881 WeakPolarHBondContact O-CB 3.38Å; H878-L881 PolarHBondContact O-N 3.31Å; H878-L881 VanDerWaalsContact O-N 3.16Å; H878-Y916 AromaticContact CE1-CD2 3.16Å; H878-Y916 WeakPolarHBondContact CE1-CD2 3.24Å; H878-Y916 AromaticContact CE1-CE2 3.21Å; H878-Y916 WeakPolarHBondContact CE1-CE2 3.46Å; H878-Y916 AromaticContact CE1-CG 3.71Å; H878-Y916 AromaticContact CE1-CZ 3.78Å; H878-Y916 AromaticContact ND1-CD2 3.95Å; H878-Y916 AromaticContact ND1-CE2 3.58Å; H878-Y916 AromaticContact NE2-CD2 3.73Å; H878-Y916 AromaticContact NE2-CE2 3.76Å; H878-Y916 AromaticContact NE2-CG 3.83Å; H878-Y916 AromaticContact NE2-CZ 3.88Å; H878-Y916 PolarHBondContact NE2-O 3.34Å |
| 879 | S | 79.6 | Confident | 87.3 | Confident | 63 Ų | 63 | 47.2 Ų | 47.2 | 44% | 0.441 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -55 | -43.4 | 176 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | P877 L881 L882 D883 | P877-S879 VanDerWaalsContact C-N 3.27Å; P877-S879 PolarHBondContact O-N 3.3Å; S879-L881 VanDerWaalsContact C-N 3.27Å; S879-L881 PolarHBondContact O-N 3.08Å; S879-L882 PolarHBondContact O-N 2.87Å; S879-L882 VanDerWaalsContact O-N 3.1Å; S879-D883 PolarHBondContact O-N 2.98Å |
| 880 | D | 82.1 | Confident | 87.2 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 16% | 0.155 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.4 | -25.9 | -174.9 | -63.4 | 12.9 | 0 | 0 | 0 | 111.4 | L830 I876 P877 H878 L882 Y884 | L830-D880 HydrophobicContact CD1-CB 4.25Å; I876-D880 HydrophobicContact CG2-CB 4.22Å; P877-D880 WeakPolarHBondContact CD-OD2 3.25Å; P877-D880 PolarHBondContact O-N 3.39Å; P877-D880 VanDerWaalsContact O-N 3.09Å; H878-D880 VanDerWaalsContact C-N 3.27Å; H878-D880 PolarHBondContact O-N 2.8Å; D880-L882 VanDerWaalsContact C-N 3.26Å; D880-L882 PolarHBondContact O-N 3.34Å; D880-Y884 HydrophobicContact CB-CD2 4.11Å; D880-Y884 HydrophobicContact CB-CE2 4.17Å; D880-Y884 VanDerWaalsContact O-CD2 3.25Å; D880-Y884 WeakPolarHBondContact O-CD2 3.49Å; D880-Y884 PolarHBondContact O-N 3.48Å |
| 881 | L | 80.1 | Confident | 87.1 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.4 | -28.9 | 173.8 | -73.7 | 176 | 0 | 0 | 0 | 112.6 | I876 P877 H878 S879 L887 S888 Y891 Y916 | I876-L881 HydrophobicContact CG2-CD2 4Å; I876-L881 HydrophobicContact CG2-CG 3.93Å; P877-L881 PolarHBondContact O-N 3.44Å; H878-L881 WeakPolarHBondContact O-CB 3.38Å; H878-L881 PolarHBondContact O-N 3.31Å; H878-L881 VanDerWaalsContact O-N 3.16Å; S879-L881 VanDerWaalsContact C-N 3.27Å; S879-L881 PolarHBondContact O-N 3.08Å; L881-L887 HydrophobicContact CD2-CD2 4.03Å; L881-L887 HydrophobicContact CD2-CG 4.07Å; L881-S888 WeakPolarHBondContact O-CB 3.41Å; L881-S888 PolarHBondContact O-OG 3.36Å; L881-Y891 HydrophobicContact CD1-CD1 4.23Å; L881-Y891 HydrophobicContact CD1-CE1 4.13Å; L881-Y891 HydrophobicContact CD2-CD1 4.05Å; L881-Y891 HydrophobicContact CD2-CG 4.2Å; L881-Y916 HydrophobicContact CD1-CE1 4.06Å; L881-Y916 VanDerWaalsContact CD1-OH 3.29Å; L881-Y916 WeakPolarHBondContact CD1-OH 3.03Å |
| 882 | L | 75 | Confident | 87.1 | Confident | 70 Ų | 70 | 42.4 Ų | 42.4 | 37% | 0.366 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -91.4 | -36.6 | 178.6 | -60 | 177.4 | 0 | 0 | 0 | 111.7 | S879 D880 Y884 E923 | S879-L882 PolarHBondContact O-N 2.87Å; S879-L882 VanDerWaalsContact O-N 3.1Å; D880-L882 VanDerWaalsContact C-N 3.26Å; D880-L882 PolarHBondContact O-N 3.34Å; L882-Y884 VanDerWaalsContact C-N 3.3Å; L882-Y884 PolarHBondContact O-N 2.98Å; L882-E923 HydrophobicContact CD1-CB 4.16Å |
| 883 | D | 81.4 | Confident | 87 | Confident | 112 Ų | 112 | 44.8 Ų | 44.8 | 60% | 0.599 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -69.6 | -25.3 | -178.8 | -69.6 | -16.6 | 0 | 0 | 0 | 113 | S879 P885 | S879-D883 PolarHBondContact O-N 2.98Å; D883-P885 WeakPolarHBondContact O-CD 3.36Å |
| 884 | Y | 84.6 | Confident | 87.1 | Confident | 58 Ų | 58 | 44.8 Ų | 44.8 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | trans | -116.2 | 94.4 | -178.6 | -59.9 | -65 | 0 | 0 | 0 | 113 | K822 Y826 L830 D880 L882 K886 L887 S888 | K822-Y884 PolarHBondContact O-OH 2.62Å; Y826-Y884 AromaticContact CD2-CD1 3.63Å; Y826-Y884 HydrophobicContact CD2-CD1 3.63Å; Y826-Y884 HydrophobicContact CD2-CD2 4.25Å; Y826-Y884 HydrophobicContact CD2-CE1 4.23Å; Y826-Y884 AromaticContact CD2-CG 3.66Å; Y826-Y884 HydrophobicContact CD2-CG 3.66Å; Y826-Y884 HydrophobicContact CE2-CD1 4.4Å; Y826-Y884 HydrophobicContact CE2-CG 4.33Å; Y826-Y884 AromaticContact CG-CD1 3.93Å; Y826-Y884 HydrophobicContact CG-CD1 3.93Å; Y826-Y884 HydrophobicContact CG-CE1 4.12Å; Y826-Y884 HydrophobicContact CG-CG 4.37Å; L830-Y884 HydrophobicContact CD1-CD2 3.55Å; L830-Y884 HydrophobicContact CD1-CE2 3.59Å; L830-Y884 HydrophobicContact CD1-CG 4.5Å; D880-Y884 HydrophobicContact CB-CD2 4.11Å; D880-Y884 HydrophobicContact CB-CE2 4.17Å; D880-Y884 VanDerWaalsContact O-CD2 3.25Å; D880-Y884 WeakPolarHBondContact O-CD2 3.49Å; D880-Y884 PolarHBondContact O-N 3.48Å; L882-Y884 VanDerWaalsContact C-N 3.3Å; L882-Y884 PolarHBondContact O-N 2.98Å; Y884-K886 VanDerWaalsContact C-N 3.34Å; Y884-K886 PolarHBondContact O-N 2.94Å; Y884-K886 VanDerWaalsContact O-N 3.16Å; Y884-L887 WeakPolarHBondContact O-CB 3.48Å; Y884-L887 PolarHBondContact O-N 3.41Å; Y884-S888 PolarHBondContact O-N 3.15Å; Y884-S888 VanDerWaalsContact O-N 3.09Å | ||
| 885 | P | 81.6 | Confident | 87.2 | Confident | 75 Ų | 75 | 40.4 Ų | 40.4 | 49% | 0.487 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.2 | -39.2 | -173.4 | -28.9 | 34.4 | 0 | 0 | 0 | 115.1 | D883 L887 S888 Q889 | D883-P885 WeakPolarHBondContact O-CD 3.36Å; P885-L887 PolarHBondContact O-N 2.96Å; P885-S888 VanDerWaalsContact O-CB 3.3Å; P885-S888 WeakPolarHBondContact O-CB 3.24Å; P885-S888 PolarHBondContact O-N 2.91Å; P885-Q889 WeakPolarHBondContact O-CG 3.48Å; P885-Q889 PolarHBondContact O-N 3.1Å |
| 886 | K | 86 | Confident | 87.3 | Confident | 139 Ų | 139 | 41.6 Ų | 41.6 | 60% | 0.604 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -65.6 | -38 | 179.6 | -72.5 | 177.6 | 179.7 | 169.3 | 0 | 112.6 | Y826 Y884 S890 | Y826-K886 WeakPolarHBondContact OH-CB 3.5Å; Y826-K886 WeakPolarHBondContact OH-CD 3.35Å; Y884-K886 VanDerWaalsContact C-N 3.34Å; Y884-K886 PolarHBondContact O-N 2.94Å; Y884-K886 VanDerWaalsContact O-N 3.16Å; K886-S890 PolarHBondContact O-N 3.18Å; K886-S890 PolarHBondContact O-OG 3.39Å |
| 887 | L | 90.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.2 | -46.8 | 174.3 | 175.7 | 66.4 | 0 | 0 | 0 | 109.9 | L830 F837 I876 L881 Y884 P885 Q889 S890 Y891 | L830-L887 HydrophobicContact CB-CD2 4.18Å; L830-L887 HydrophobicContact CD1-CD2 4.07Å; L830-L887 HydrophobicContact CD2-CD2 4.15Å; L830-L887 HydrophobicContact CG-CD2 4.36Å; F837-L887 HydrophobicContact CD2-CD1 4.47Å; F837-L887 HydrophobicContact CE2-CD1 4.29Å; I876-L887 HydrophobicContact CD1-CD1 4.23Å; I876-L887 HydrophobicContact CD1-CD2 4.4Å; I876-L887 HydrophobicContact CG2-CD2 4.05Å; L881-L887 HydrophobicContact CD2-CD2 4.03Å; L881-L887 HydrophobicContact CD2-CG 4.07Å; Y884-L887 WeakPolarHBondContact O-CB 3.48Å; Y884-L887 PolarHBondContact O-N 3.41Å; P885-L887 PolarHBondContact O-N 2.96Å; L887-Q889 PolarHBondContact O-N 3.26Å; L887-S890 PolarHBondContact O-N 3.01Å; L887-Y891 WeakPolarHBondContact O-CB 3.31Å; L887-Y891 PolarHBondContact O-N 3.4Å |
| 888 | S | 88.1 | Confident | 87.9 | Confident | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.028 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -53.1 | -52.9 | 176.8 | -144.2 | 0 | 0 | 0 | 0 | 111.7 | L881 Y884 P885 S890 Y891 Y892 | L881-S888 WeakPolarHBondContact O-CB 3.41Å; L881-S888 PolarHBondContact O-OG 3.36Å; Y884-S888 PolarHBondContact O-N 3.15Å; Y884-S888 VanDerWaalsContact O-N 3.09Å; P885-S888 VanDerWaalsContact O-CB 3.3Å; P885-S888 WeakPolarHBondContact O-CB 3.24Å; P885-S888 PolarHBondContact O-N 2.91Å; S888-S890 PolarHBondContact O-N 2.66Å; S888-Y891 PolarHBondContact O-N 2.96Å; S888-Y892 WeakPolarHBondContact O-CD2 3.25Å; S888-Y892 PolarHBondContact O-N 2.93Å; S888-Y892 WeakPolarHBondContact OG-CE2 3.46Å |
| 889 | Q | 89.4 | Confident | 88.5 | Confident | 80 Ų | 80 | 36.8 Ų | 36.8 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.6 | -45.7 | 179.4 | -73 | 176.5 | 2.2 | 0 | 0 | 112.1 | P885 L887 S893 D929 V932 | P885-Q889 WeakPolarHBondContact O-CG 3.48Å; P885-Q889 PolarHBondContact O-N 3.1Å; L887-Q889 PolarHBondContact O-N 3.26Å; Q889-S893 WeakPolarHBondContact O-CB 3.42Å; Q889-S893 PolarHBondContact O-N 2.86Å; Q889-S893 PolarHBondContact O-OG 2.98Å; Q889-D929 PolarHBondContact NE2-OD2 2.91Å; Q889-V932 HydrophobicContact CG-CG2 4.17Å |
| 890 | S | 93.1 | Very high | 89 | Confident | 16 Ų | 16 | 39 Ų | 39 | 11% | 0.112 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 176.6 | -65.4 | 0 | 0 | 0 | 0 | 112.7 | S834 S838 K886 L887 S888 L894 | S834-S890 WeakPolarHBondContact O-CB 3.3Å; S834-S890 PolarHBondContact O-OG 3.45Å; S834-S890 PolarHBondContact OG-OG 3.07Å; S838-S890 PolarHBondContact OG-OG 2.9Å; K886-S890 PolarHBondContact O-N 3.18Å; K886-S890 PolarHBondContact O-OG 3.39Å; L887-S890 PolarHBondContact O-N 3.01Å; S888-S890 PolarHBondContact O-N 2.66Å; S890-L894 PolarHBondContact O-N 3.41Å |
| 891 | Y | 94.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.1 | -55 | -179.7 | 168.9 | -116.4 | 0 | 0 | 0 | 111.8 | F837 F869 L873 L881 L887 S888 S893 L894 L895 S920 | F837-Y891 HydrophobicContact CD2-CD2 4.45Å; F837-Y891 HydrophobicContact CE2-CD2 4.13Å; F869-Y891 HydrophobicContact CE2-CD2 4.44Å; F869-Y891 HydrophobicContact CE2-CE2 4.46Å; F869-Y891 HydrophobicContact CZ-CE2 4.27Å; L873-Y891 HydrophobicContact CD1-CD2 3.87Å; L873-Y891 HydrophobicContact CD1-CE2 3.29Å; L873-Y891 HydrophobicContact CD2-CE2 4.2Å; L873-Y891 HydrophobicContact CG-CE2 4.38Å; L881-Y891 HydrophobicContact CD1-CD1 4.23Å; L881-Y891 HydrophobicContact CD1-CE1 4.13Å; L881-Y891 HydrophobicContact CD2-CD1 4.05Å; L881-Y891 HydrophobicContact CD2-CG 4.2Å; L887-Y891 WeakPolarHBondContact O-CB 3.31Å; L887-Y891 PolarHBondContact O-N 3.4Å; S888-Y891 PolarHBondContact O-N 2.96Å; Y891-S893 VanDerWaalsContact C-N 3.32Å; Y891-S893 PolarHBondContact O-N 3.05Å; Y891-L894 PolarHBondContact O-N 3.47Å; Y891-L894 VanDerWaalsContact O-N 3.15Å; Y891-L895 HydrophobicContact CE1-CD2 4.29Å; Y891-L895 WeakPolarHBondContact O-CB 3.37Å; Y891-L895 PolarHBondContact O-N 3.37Å; Y891-S920 PolarHBondContact OH-OG 2.99Å; Y891-S920 VanDerWaalsContact OH-OG 3.07Å |
| 892 | Y | 93.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.1 | -33.4 | -177.6 | -71.1 | -64.9 | 0 | 0 | 0 | 112.4 | S888 L894 L895 E896 S920 V932 C936 | S888-Y892 WeakPolarHBondContact O-CD2 3.25Å; S888-Y892 PolarHBondContact O-N 2.93Å; S888-Y892 WeakPolarHBondContact OG-CE2 3.46Å; Y892-L894 VanDerWaalsContact C-N 3.32Å; Y892-L894 PolarHBondContact O-N 3.37Å; Y892-L895 HydrophobicContact CD1-CD2 4.21Å; Y892-L895 PolarHBondContact O-N 2.99Å; Y892-E896 WeakPolarHBondContact O-CB 3.26Å; Y892-E896 PolarHBondContact O-N 2.69Å; Y892-S920 VanDerWaalsContact OH-C 3.3Å; Y892-S920 PolarHBondContact OH-O 3.21Å; Y892-V932 HydrophobicContact CD2-CB 4.44Å; Y892-V932 HydrophobicContact CD2-CG1 3.57Å; Y892-V932 HydrophobicContact CD2-CG2 4.46Å; Y892-V932 HydrophobicContact CE2-CG1 3.54Å; Y892-V932 HydrophobicContact CG-CG1 4.49Å; Y892-C936 WeakPolarHBondContact CD1-SG 3.41Å; Y892-C936 WeakPolarHBondContact CE1-SG 3.38Å; Y892-C936 VanDerWaalsContact CZ-SG 3.6Å |
| 893 | S | 92.8 | Very high | 90.3 | Very high | 51 Ų | 51 | 41.1 Ų | 41.1 | 36% | 0.357 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.1 | -36.6 | 173.3 | -61 | 0 | 0 | 0 | 0 | 112.6 | Q889 Y891 | Q889-S893 WeakPolarHBondContact O-CB 3.42Å; Q889-S893 PolarHBondContact O-N 2.86Å; Q889-S893 PolarHBondContact O-OG 2.98Å; Y891-S893 VanDerWaalsContact C-N 3.32Å; Y891-S893 PolarHBondContact O-N 3.05Å |
| 894 | L | 95.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.7 | -44.1 | 174.2 | 171.6 | 59.5 | 0 | 0 | 0 | 110.9 | F837 L840 K841 L844 F869 S890 Y891 Y892 E896 V897 L898 | F837-L894 HydrophobicContact CB-CD2 3.89Å; F837-L894 HydrophobicContact CD1-CD2 4.06Å; F837-L894 HydrophobicContact CG-CD2 4.11Å; L840-L894 HydrophobicContact CB-CD1 4.21Å; L840-L894 HydrophobicContact CB-CD2 4.34Å; L840-L894 HydrophobicContact CD2-CD1 4.23Å; L840-L894 HydrophobicContact CD2-CD2 4.06Å; L840-L894 HydrophobicContact CG-CD1 3.97Å; L840-L894 HydrophobicContact CG-CD2 4.45Å; K841-L894 HydrophobicContact CB-CB 4.07Å; K841-L894 HydrophobicContact CB-CD1 3.95Å; L844-L894 HydrophobicContact CD1-CD1 4.21Å; F869-L894 HydrophobicContact CD2-CD2 3.52Å; F869-L894 HydrophobicContact CE2-CD2 3.47Å; F869-L894 VanDerWaalsContact CE2-CD2 3.47Å; F869-L894 HydrophobicContact CE2-CG 4.34Å; F869-L894 HydrophobicContact CG-CD2 4.31Å; F869-L894 HydrophobicContact CZ-CD2 4.22Å; S890-L894 PolarHBondContact O-N 3.41Å; Y891-L894 PolarHBondContact O-N 3.47Å; Y891-L894 VanDerWaalsContact O-N 3.15Å; Y892-L894 VanDerWaalsContact C-N 3.32Å; Y892-L894 PolarHBondContact O-N 3.37Å; L894-E896 VanDerWaalsContact C-N 3.25Å; L894-E896 PolarHBondContact O-N 3.42Å; L894-V897 PolarHBondContact O-N 2.95Å; L894-L898 HydrophobicContact CD1-CD1 4.13Å; L894-L898 HydrophobicContact CD1-CG 4.08Å; L894-L898 HydrophobicContact CG-CD1 3.96Å; L894-L898 HydrophobicContact CG-CG 4.37Å; L894-L898 WeakPolarHBondContact O-CG 3.38Å; L894-L898 PolarHBondContact O-N 3.4Å |
| 895 | L | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -36.3 | 179.6 | -173.6 | 64.9 | 0 | 0 | 0 | 111.9 | Y891 Y892 L898 T899 I917 I921 C939 | Y891-L895 HydrophobicContact CE1-CD2 4.29Å; Y891-L895 WeakPolarHBondContact O-CB 3.37Å; Y891-L895 PolarHBondContact O-N 3.37Å; Y892-L895 HydrophobicContact CD1-CD2 4.21Å; Y892-L895 PolarHBondContact O-N 2.99Å; L895-L898 PolarHBondContact O-N 3.1Å; L895-T899 HydrophobicContact CD1-CG2 4.23Å; L895-T899 HydrophobicContact CG-CG2 4.29Å; L895-T899 WeakPolarHBondContact O-CB 3.3Å; L895-T899 VanDerWaalsContact O-CG2 3.31Å; L895-T899 WeakPolarHBondContact O-CG2 3.28Å; L895-T899 PolarHBondContact O-N 2.76Å; L895-T899 PolarHBondContact O-OG1 2.91Å; L895-I917 HydrophobicContact CD1-CD1 4.44Å; L895-I917 HydrophobicContact CD1-CG2 3.83Å; L895-I917 HydrophobicContact CD2-CG2 3.95Å; L895-I917 HydrophobicContact CG-CG2 4.49Å; L895-I921 HydrophobicContact CD2-CD1 4.04Å; L895-I921 HydrophobicContact CD2-CG1 3.97Å; L895-C939 HydrophobicContact CD2-CB 4.43Å; L895-C939 HydrophobicContact CG-CB 4.5Å |
| 896 | E | 94.4 | Very high | 91 | Very high | 56 Ų | 56 | 36.7 Ų | 36.7 | 26% | 0.262 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.5 | -48.5 | 174.7 | -176.4 | 174.4 | -161.4 | 0 | 0 | 111.1 | Y892 L894 L898 T899 Q900 S938 C939 | Y892-E896 WeakPolarHBondContact O-CB 3.26Å; Y892-E896 PolarHBondContact O-N 2.69Å; L894-E896 VanDerWaalsContact C-N 3.25Å; L894-E896 PolarHBondContact O-N 3.42Å; E896-L898 PolarHBondContact O-N 3.48Å; E896-T899 PolarHBondContact O-N 3.32Å; E896-T899 PolarHBondContact O-OG1 3.46Å; E896-Q900 VanDerWaalsContact O-CB 3.25Å; E896-Q900 WeakPolarHBondContact O-CB 3.07Å; E896-Q900 PolarHBondContact O-N 2.91Å; E896-S938 WeakPolarHBondContact OE1-CB 3.36Å; E896-S938 PolarHBondContact OE1-OG 3.4Å; E896-C939 WeakPolarHBondContact CA-SG 3.39Å; E896-C939 PolarHBondContact N-SG 2.89Å |
| 897 | V | 93.6 | Very high | 91 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 7% | 0.067 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 176.3 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | K841 L844 L894 Q900 D901 | K841-V897 HydrophobicContact CG-CG2 3.98Å; L844-V897 HydrophobicContact CB-CG1 3.81Å; L894-V897 PolarHBondContact O-N 2.95Å; V897-Q900 PolarHBondContact O-N 3.39Å; V897-D901 PolarHBondContact O-N 2.91Å |
| 898 | L | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.6 | -41.9 | 178.9 | -71.5 | 172.7 | 0 | 0 | 0 | 112.4 | L844 L866 F869 L894 L895 E896 H902 M903 I906 | L844-L898 HydrophobicContact CD1-CD2 3.6Å; L844-L898 HydrophobicContact CD1-CG 4.41Å; L866-L898 HydrophobicContact CD2-CD2 3.88Å; F869-L898 HydrophobicContact CD1-CD1 4.12Å; F869-L898 HydrophobicContact CE1-CD1 3.55Å; F869-L898 HydrophobicContact CZ-CD1 3.87Å; L894-L898 HydrophobicContact CD1-CD1 4.13Å; L894-L898 HydrophobicContact CD1-CG 4.08Å; L894-L898 HydrophobicContact CG-CD1 3.96Å; L894-L898 HydrophobicContact CG-CG 4.37Å; L894-L898 WeakPolarHBondContact O-CG 3.38Å; L894-L898 PolarHBondContact O-N 3.4Å; L895-L898 PolarHBondContact O-N 3.1Å; E896-L898 PolarHBondContact O-N 3.48Å; L898-H902 HydrophobicContact CD2-CB 4.16Å; L898-H902 CarbonylContact O-C 3.52Å; L898-H902 WeakPolarHBondContact O-CA 3.48Å; L898-H902 PolarHBondContact O-N 3.16Å; L898-M903 PolarHBondContact O-N 3.16Å; L898-M903 VanDerWaalsContact O-N 3.09Å; L898-I906 HydrophobicContact CB-CD1 4.2Å; L898-I906 HydrophobicContact CB-CG1 4.39Å; L898-I906 HydrophobicContact CD1-CD1 4.49Å |
| 899 | T | 93.3 | Very high | 90.8 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -73.1 | -29 | 178.5 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | L895 E896 C939 H942 I943 | L895-T899 HydrophobicContact CD1-CG2 4.23Å; L895-T899 HydrophobicContact CG-CG2 4.29Å; L895-T899 WeakPolarHBondContact O-CB 3.3Å; L895-T899 VanDerWaalsContact O-CG2 3.31Å; L895-T899 WeakPolarHBondContact O-CG2 3.28Å; L895-T899 PolarHBondContact O-N 2.76Å; L895-T899 PolarHBondContact O-OG1 2.91Å; E896-T899 PolarHBondContact O-N 3.32Å; E896-T899 PolarHBondContact O-OG1 3.46Å; T899-C939 HydrophobicContact CG2-CB 4.39Å; T899-H942 PolarHBondContact OG1-ND1 3.31Å; T899-I943 HydrophobicContact CG2-CD1 3.96Å; T899-I943 HydrophobicContact CG2-CG1 3.84Å |
| 900 | Q | 91 | Very high | 90.7 | Very high | 108 Ų | 108 | 36.2 Ų | 36.2 | 51% | 0.505 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -73.9 | -56.3 | 177.5 | -170.4 | 179.4 | -27.2 | 0 | 0 | 112.3 | E896 V897 | E896-Q900 VanDerWaalsContact O-CB 3.25Å; E896-Q900 WeakPolarHBondContact O-CB 3.07Å; E896-Q900 PolarHBondContact O-N 2.91Å; V897-Q900 PolarHBondContact O-N 3.39Å |
| 901 | D | 87.8 | Confident | 90.3 | Very high | 97 Ų | 97 | 38.9 Ų | 38.9 | 52% | 0.519 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -107.7 | -23 | -166.5 | -62.1 | -38.9 | 0 | 0 | 0 | 113.2 | V897 | V897-D901 PolarHBondContact O-N 2.91Å |
| 902 | H | 87.8 | Confident | 89.9 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 17% | 0.167 | 25% | 0.245 | C | C | . | . | trans | -120.7 | 29.4 | -174.9 | -61.1 | -84.7 | 0 | 0 | 0 | 113.4 | L898 N904 F905 I906 | L898-H902 HydrophobicContact CD2-CB 4.16Å; L898-H902 CarbonylContact O-C 3.52Å; L898-H902 WeakPolarHBondContact O-CA 3.48Å; L898-H902 PolarHBondContact O-N 3.16Å; H902-N904 PolarHBondContact O-N 3.43Å; H902-F905 WeakPolarHBondContact O-CB 3.3Å; H902-F905 PolarHBondContact O-N 3.22Å; H902-I906 PolarHBondContact O-N 3.2Å | ||
| 903 | M | 88.9 | Confident | 89.8 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 6% | 0.064 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.4 | -29 | -175.7 | -169.9 | 59 | -162.1 | 0 | 0 | 113.9 | L898 F905 I906 A907 I943 Y946 F969 | L898-M903 PolarHBondContact O-N 3.16Å; L898-M903 VanDerWaalsContact O-N 3.09Å; M903-F905 VanDerWaalsContact C-N 3.27Å; M903-F905 PolarHBondContact O-N 3.38Å; M903-I906 HydrophobicContact CE-CB 4.47Å; M903-I906 HydrophobicContact CE-CG2 4.21Å; M903-I906 PolarHBondContact O-N 3.24Å; M903-I906 HydrophobicContact SD-CB 4.1Å; M903-I906 HydrophobicContact SD-CG2 4.29Å; M903-A907 WeakPolarHBondContact O-CB 3.26Å; M903-A907 PolarHBondContact O-N 3.03Å; M903-I943 HydrophobicContact CE-CB 4.32Å; M903-I943 HydrophobicContact CE-CG1 3.96Å; M903-I943 HydrophobicContact CE-CG2 4.23Å; M903-I943 HydrophobicContact SD-CG1 4.14Å; M903-Y946 HydrophobicContact CB-CD2 4.09Å; M903-Y946 HydrophobicContact CB-CE2 4.34Å; M903-Y946 HydrophobicContact CE-CD1 3.92Å; M903-Y946 HydrophobicContact CE-CE1 4.47Å; M903-Y946 HydrophobicContact CE-CG 4.24Å; M903-Y946 HydrophobicContact CG-CD1 3.94Å; M903-Y946 HydrophobicContact CG-CD2 3.51Å; M903-Y946 HydrophobicContact CG-CE1 4.33Å; M903-Y946 HydrophobicContact CG-CE2 3.93Å; M903-Y946 HydrophobicContact CG-CG 3.5Å; M903-Y946 VanDerWaalsContact CG-CG 3.5Å; M903-F969 HydrophobicContact CE-CE1 4.01Å; M903-F969 HydrophobicContact CE-CE2 4.48Å; M903-F969 HydrophobicContact CE-CZ 3.99Å |
| 904 | N | 85.8 | Confident | 89.5 | Confident | 113 Ų | 113 | 46.5 Ų | 46.5 | 60% | 0.604 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.2 | -32.6 | 175.5 | -68.3 | -29.9 | 0 | 0 | 0 | 112.8 | H902 S908 Y946 | H902-N904 PolarHBondContact O-N 3.43Å; N904-S908 PolarHBondContact O-N 3.25Å; N904-Y946 PolarHBondContact OD1-OH 2.98Å |
| 905 | F | 88.3 | Confident | 89.1 | Confident | 37 Ų | 37 | 48.8 Ų | 48.8 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.9 | -46.6 | 172.6 | 164.9 | -104 | 0 | 0 | 0 | 110.4 | L866 I870 H902 M903 A907 S908 L909 | L866-F905 HydrophobicContact CB-CD2 4.4Å; L866-F905 HydrophobicContact CB-CE1 4.23Å; L866-F905 HydrophobicContact CB-CE2 3.71Å; L866-F905 HydrophobicContact CB-CZ 3.61Å; L866-F905 HydrophobicContact CD1-CD1 4.3Å; L866-F905 HydrophobicContact CD1-CD2 3.82Å; L866-F905 HydrophobicContact CD1-CE1 4.46Å; L866-F905 HydrophobicContact CD1-CE2 4Å; L866-F905 HydrophobicContact CD1-CG 3.98Å; L866-F905 HydrophobicContact CD1-CZ 4.32Å; L866-F905 HydrophobicContact CD2-CD1 4.22Å; L866-F905 HydrophobicContact CD2-CE1 3.96Å; L866-F905 HydrophobicContact CD2-CZ 4.23Å; L866-F905 HydrophobicContact CG-CE1 4.45Å; L866-F905 HydrophobicContact CG-CE2 4.36Å; L866-F905 HydrophobicContact CG-CZ 4.27Å; I870-F905 HydrophobicContact CD1-CE1 4.29Å; I870-F905 HydrophobicContact CD1-CZ 4.1Å; I870-F905 HydrophobicContact CG1-CZ 3.98Å; H902-F905 WeakPolarHBondContact O-CB 3.3Å; H902-F905 PolarHBondContact O-N 3.22Å; M903-F905 VanDerWaalsContact C-N 3.27Å; M903-F905 PolarHBondContact O-N 3.38Å; F905-A907 PolarHBondContact O-N 2.99Å; F905-S908 PolarHBondContact O-N 3.21Å; F905-S908 VanDerWaalsContact O-N 3.09Å; F905-S908 PolarHBondContact O-OG 3.14Å; F905-L909 HydrophobicContact CE1-CD1 4.41Å; F905-L909 HydrophobicContact CE1-CD2 4.19Å; F905-L909 HydrophobicContact CE2-CD2 3.9Å; F905-L909 HydrophobicContact CZ-CD2 3.67Å; F905-L909 WeakPolarHBondContact O-CG 3.44Å; F905-L909 PolarHBondContact O-N 3.06Å |
| 906 | I | 88.6 | Confident | 88.9 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.8 | -39.7 | 176.4 | -59.5 | -61.8 | 0 | 0 | 0 | 111.3 | L898 H902 M903 S908 L909 I917 | L898-I906 HydrophobicContact CB-CD1 4.2Å; L898-I906 HydrophobicContact CB-CG1 4.39Å; L898-I906 HydrophobicContact CD1-CD1 4.49Å; H902-I906 PolarHBondContact O-N 3.2Å; M903-I906 HydrophobicContact CE-CB 4.47Å; M903-I906 HydrophobicContact CE-CG2 4.21Å; M903-I906 PolarHBondContact O-N 3.24Å; M903-I906 HydrophobicContact SD-CB 4.1Å; M903-I906 HydrophobicContact SD-CG2 4.29Å; I906-S908 VanDerWaalsContact C-N 3.29Å; I906-S908 PolarHBondContact O-N 2.9Å; I906-L909 HydrophobicContact CD1-CD1 3.97Å; I906-L909 WeakPolarHBondContact O-CB 3.38Å; I906-L909 PolarHBondContact O-N 3.38Å; I906-I917 HydrophobicContact CD1-CD1 4.26Å |
| 907 | A | 86.3 | Confident | 88.8 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69 | -22.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | M903 F905 Y946 F969 | M903-A907 WeakPolarHBondContact O-CB 3.26Å; M903-A907 PolarHBondContact O-N 3.03Å; F905-A907 PolarHBondContact O-N 2.99Å; A907-Y946 HydrophobicContact CB-CE1 4.15Å; A907-F969 HydrophobicContact CB-CB 3.96Å; A907-F969 HydrophobicContact CB-CG 4.31Å |
| 908 | S | 85.7 | Confident | 88.6 | Confident | 54 Ų | 54 | 47 Ų | 47 | 38% | 0.378 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -91 | -5.1 | 178.4 | 68.8 | 0 | 0 | 0 | 0 | 114.1 | N904 F905 I906 | N904-S908 PolarHBondContact O-N 3.25Å; F905-S908 PolarHBondContact O-N 3.21Å; F905-S908 VanDerWaalsContact O-N 3.09Å; F905-S908 PolarHBondContact O-OG 3.14Å; I906-S908 VanDerWaalsContact C-N 3.29Å; I906-S908 PolarHBondContact O-N 2.9Å |
| 909 | L | 87.9 | Confident | 88.3 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -65.8 | 158.9 | 179.7 | -66.8 | 175.6 | 0 | 0 | 0 | 113 | I870 F905 I906 V913 I914 I917 | I870-L909 HydrophobicContact CD1-CD1 3.96Å; I870-L909 HydrophobicContact CD1-CD2 3.92Å; I870-L909 HydrophobicContact CG1-CD2 3.89Å; F905-L909 HydrophobicContact CE1-CD1 4.41Å; F905-L909 HydrophobicContact CE1-CD2 4.19Å; F905-L909 HydrophobicContact CE2-CD2 3.9Å; F905-L909 HydrophobicContact CZ-CD2 3.67Å; F905-L909 WeakPolarHBondContact O-CG 3.44Å; F905-L909 PolarHBondContact O-N 3.06Å; I906-L909 HydrophobicContact CD1-CD1 3.97Å; I906-L909 WeakPolarHBondContact O-CB 3.38Å; I906-L909 PolarHBondContact O-N 3.38Å; L909-V913 HydrophobicContact CB-CB 4.34Å; L909-V913 HydrophobicContact CB-CG1 4.5Å; L909-V913 HydrophobicContact CD1-CG1 3.85Å; L909-I914 HydrophobicContact CB-CD1 4.36Å; L909-I914 HydrophobicContact CB-CG1 4.03Å; L909-I914 WeakPolarHBondContact O-CD1 3.2Å; L909-I917 HydrophobicContact CD1-CD1 4.04Å |
| 910 | E | 87.1 | Confident | 88.2 | Confident | 135 Ų | 135 | 48.5 Ų | 48.5 | 63% | 0.631 | 24% | 0.241 | S | C | * | . | trans | -64.9 | 148.6 | 173.2 | -66.5 | -175 | 178.4 | 0 | 0 | 111.9 | R912 V913 I914 | E910-R912 PolarHBondContact O-N 3.3Å; E910-R912 VanDerWaalsContact O-N 3.11Å; E910-V913 HydrophobicContact CB-CG2 4.36Å; E910-V913 PolarHBondContact O-N 3.41Å; E910-I914 PolarHBondContact O-N 3.08Å | ||
| 911 | P | 84.4 | Confident | 88.2 | Confident | 71 Ų | 71 | 43.4 Ų | 43.4 | 46% | 0.461 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -53.1 | -38.4 | -177.6 | -25.8 | 31.4 | 0 | 0 | 0 | 114.2 | V913 I914 M915 I972 | P911-V913 VanDerWaalsContact C-N 3.29Å; P911-V913 PolarHBondContact O-N 3.32Å; P911-I914 PolarHBondContact O-N 3.47Å; P911-M915 WeakPolarHBondContact O-CB 3.33Å; P911-M915 VanDerWaalsContact O-CG 3.27Å; P911-M915 WeakPolarHBondContact O-CG 3.21Å; P911-M915 PolarHBondContact O-N 3.09Å; P911-I972 HydrophobicContact CB-CD1 4.04Å; P911-I972 HydrophobicContact CB-CG1 4.42Å; P911-I972 HydrophobicContact CG-CD1 3.8Å; P911-I972 HydrophobicContact CG-CG1 4.29Å |
| 912 | R | 87.2 | Confident | 88.2 | Confident | 210 Ų | 210 | 39.3 Ų | 39.3 | 79% | 0.792 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -60.4 | -38.5 | 179.2 | -67.9 | -177.8 | 177.8 | -178.5 | -0.1 | 112.4 | E910 Y916 | E910-R912 PolarHBondContact O-N 3.3Å; E910-R912 VanDerWaalsContact O-N 3.11Å; R912-Y916 PolarHBondContact O-N 2.87Å |
| 913 | V | 89.5 | Confident | 88 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -74.8 | -42.3 | -178.9 | -174.1 | 0 | 0 | 0 | 0 | 110.7 | I870 L874 L909 E910 P911 M915 Y916 I917 | I870-V913 HydrophobicContact CD1-CG1 3.89Å; I870-V913 HydrophobicContact CG2-CG1 3.86Å; I870-V913 HydrophobicContact CG2-CG2 3.79Å; L874-V913 HydrophobicContact CD1-CG2 4.13Å; L874-V913 HydrophobicContact CD2-CG2 4.34Å; L909-V913 HydrophobicContact CB-CB 4.34Å; L909-V913 HydrophobicContact CB-CG1 4.5Å; L909-V913 HydrophobicContact CD1-CG1 3.85Å; E910-V913 HydrophobicContact CB-CG2 4.36Å; E910-V913 PolarHBondContact O-N 3.41Å; P911-V913 VanDerWaalsContact C-N 3.29Å; P911-V913 PolarHBondContact O-N 3.32Å; V913-M915 VanDerWaalsContact C-N 3.29Å; V913-M915 PolarHBondContact O-N 3.44Å; V913-Y916 WeakPolarHBondContact O-CB 3.31Å; V913-Y916 PolarHBondContact O-N 3.15Å; V913-I917 HydrophobicContact CG1-CD1 4.25Å; V913-I917 WeakPolarHBondContact O-CG1 3.44Å; V913-I917 PolarHBondContact O-N 3.27Å |
| 914 | I | 88.3 | Confident | 87.8 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.3 | -45.7 | 174.6 | -69 | 161.2 | 0 | 0 | 0 | 110.2 | L909 E910 P911 Y916 I917 L918 F969 I972 M973 | L909-I914 HydrophobicContact CB-CD1 4.36Å; L909-I914 HydrophobicContact CB-CG1 4.03Å; L909-I914 WeakPolarHBondContact O-CD1 3.2Å; E910-I914 PolarHBondContact O-N 3.08Å; P911-I914 PolarHBondContact O-N 3.47Å; I914-Y916 VanDerWaalsContact C-N 3.35Å; I914-Y916 PolarHBondContact O-N 2.83Å; I914-I917 PolarHBondContact O-N 3.04Å; I914-L918 HydrophobicContact CG2-CD1 3.87Å; I914-L918 HydrophobicContact CG2-CG 4.38Å; I914-L918 WeakPolarHBondContact O-CG 3.46Å; I914-L918 PolarHBondContact O-N 2.91Å; I914-F969 HydrophobicContact CD1-CD2 3.74Å; I914-F969 HydrophobicContact CD1-CE2 4.26Å; I914-F969 HydrophobicContact CG1-CD2 4.13Å; I914-F969 HydrophobicContact CG1-CE2 4.17Å; I914-F969 HydrophobicContact CG2-CD2 4.06Å; I914-F969 HydrophobicContact CG2-CE2 3.56Å; I914-F969 HydrophobicContact CG2-CZ 4.5Å; I914-I972 HydrophobicContact CD1-CD1 3.74Å; I914-M973 HydrophobicContact CG2-CE 4.44Å |
| 915 | M | 86.4 | Confident | 87.7 | Confident | 48 Ų | 48 | 35.3 Ų | 35.3 | 24% | 0.236 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.7 | -39.3 | 177.5 | -71 | -58.6 | -63.7 | 0 | 0 | 112.4 | P911 V913 S919 M979 | P911-M915 WeakPolarHBondContact O-CB 3.33Å; P911-M915 VanDerWaalsContact O-CG 3.27Å; P911-M915 WeakPolarHBondContact O-CG 3.21Å; P911-M915 PolarHBondContact O-N 3.09Å; V913-M915 VanDerWaalsContact C-N 3.29Å; V913-M915 PolarHBondContact O-N 3.44Å; M915-S919 VanDerWaalsContact O-CB 3.31Å; M915-S919 WeakPolarHBondContact O-CB 3.18Å; M915-S919 PolarHBondContact O-N 3.4Å; M915-S919 PolarHBondContact O-OG 2.92Å; M915-M979 HydrophobicContact CE-CG 3.72Å; M915-M979 HydrophobicContact CE-SD 3.94Å; M915-M979 HydrophobicContact SD-CG 4.37Å |
| 916 | Y | 90.7 | Very high | 87.2 | Confident | 21 Ų | 21 | 37.4 Ų | 37.4 | 8% | 0.082 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.2 | -50.7 | 173.3 | -176.2 | -73.5 | 0 | 0 | 0 | 111 | L873 L874 I876 H878 L881 R912 V913 I914 S919 S920 | L873-Y916 HydrophobicContact CD1-CD1 3.99Å; L873-Y916 HydrophobicContact CD1-CE1 3.4Å; L873-Y916 HydrophobicContact CD2-CD1 4.01Å; L873-Y916 HydrophobicContact CD2-CE1 4.29Å; L873-Y916 HydrophobicContact CG-CD1 3.86Å; L873-Y916 HydrophobicContact CG-CE1 3.71Å; L874-Y916 HydrophobicContact CD2-CD2 4.35Å; L874-Y916 HydrophobicContact CD2-CG 4.5Å; I876-Y916 WeakPolarHBondContact O-CE2 3.48Å; I876-Y916 PolarHBondContact O-OH 3.07Å; H878-Y916 AromaticContact CE1-CD2 3.16Å; H878-Y916 WeakPolarHBondContact CE1-CD2 3.24Å; H878-Y916 AromaticContact CE1-CE2 3.21Å; H878-Y916 WeakPolarHBondContact CE1-CE2 3.46Å; H878-Y916 AromaticContact CE1-CG 3.71Å; H878-Y916 AromaticContact CE1-CZ 3.78Å; H878-Y916 AromaticContact ND1-CD2 3.95Å; H878-Y916 AromaticContact ND1-CE2 3.58Å; H878-Y916 AromaticContact NE2-CD2 3.73Å; H878-Y916 AromaticContact NE2-CE2 3.76Å; H878-Y916 AromaticContact NE2-CG 3.83Å; H878-Y916 AromaticContact NE2-CZ 3.88Å; H878-Y916 PolarHBondContact NE2-O 3.34Å; L881-Y916 HydrophobicContact CD1-CE1 4.06Å; L881-Y916 VanDerWaalsContact CD1-OH 3.29Å; L881-Y916 WeakPolarHBondContact CD1-OH 3.03Å; R912-Y916 PolarHBondContact O-N 2.87Å; V913-Y916 WeakPolarHBondContact O-CB 3.31Å; V913-Y916 PolarHBondContact O-N 3.15Å; I914-Y916 VanDerWaalsContact C-N 3.35Å; I914-Y916 PolarHBondContact O-N 2.83Å; Y916-S919 PolarHBondContact O-N 2.9Å; Y916-S920 PolarHBondContact O-N 3.48Å; Y916-S920 PolarHBondContact O-OG 3.13Å |
| 917 | I | 92.1 | Very high | 86.6 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.4 | -48.6 | -178.3 | -68.9 | 170.2 | 0 | 0 | 0 | 110.8 | L873 L895 I906 L909 V913 I914 S919 S920 I921 | L873-I917 HydrophobicContact CD2-CD1 4.43Å; L873-I917 HydrophobicContact CD2-CG1 3.98Å; L895-I917 HydrophobicContact CD1-CD1 4.44Å; L895-I917 HydrophobicContact CD1-CG2 3.83Å; L895-I917 HydrophobicContact CD2-CG2 3.95Å; L895-I917 HydrophobicContact CG-CG2 4.49Å; I906-I917 HydrophobicContact CD1-CD1 4.26Å; L909-I917 HydrophobicContact CD1-CD1 4.04Å; V913-I917 HydrophobicContact CG1-CD1 4.25Å; V913-I917 WeakPolarHBondContact O-CG1 3.44Å; V913-I917 PolarHBondContact O-N 3.27Å; I914-I917 PolarHBondContact O-N 3.04Å; I917-S919 PolarHBondContact O-N 2.95Å; I917-S920 WeakPolarHBondContact CA-OG 3.4Å; I917-S920 PolarHBondContact O-N 3.34Å; I917-S920 PolarHBondContact O-OG 3.18Å; I917-I921 HydrophobicContact CG2-CD1 4.02Å; I917-I921 WeakPolarHBondContact O-CG1 3.37Å; I917-I921 PolarHBondContact O-N 3.32Å |
| 918 | L | 89.4 | Confident | 85.8 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 179.6 | -68.5 | 174.3 | 0 | 0 | 0 | 111.7 | I914 S920 I921 S922 I943 M973 M979 M983 | I914-L918 HydrophobicContact CG2-CD1 3.87Å; I914-L918 HydrophobicContact CG2-CG 4.38Å; I914-L918 WeakPolarHBondContact O-CG 3.46Å; I914-L918 PolarHBondContact O-N 2.91Å; L918-S920 VanDerWaalsContact C-N 3.35Å; L918-S920 PolarHBondContact O-N 3.49Å; L918-I921 PolarHBondContact O-N 3.05Å; L918-S922 PolarHBondContact O-N 2.99Å; L918-I943 HydrophobicContact CD2-CD1 4.34Å; L918-M973 HydrophobicContact CD1-CE 3.33Å; L918-M973 HydrophobicContact CD1-SD 3.77Å; L918-M979 HydrophobicContact CB-CE 3.95Å; L918-M983 HydrophobicContact CB-CE 3.81Å; L918-M983 HydrophobicContact CD2-CE 3.99Å; L918-M983 HydrophobicContact CG-CE 4.5Å; L918-M983 WeakPolarHBondContact O-CE 3.48Å |
| 919 | S | 88.5 | Confident | 85.2 | Confident | 33 Ų | 33 | 45.6 Ų | 45.6 | 23% | 0.231 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 176.5 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | M915 Y916 I917 I921 S922 E923 | M915-S919 VanDerWaalsContact O-CB 3.31Å; M915-S919 WeakPolarHBondContact O-CB 3.18Å; M915-S919 PolarHBondContact O-N 3.4Å; M915-S919 PolarHBondContact O-OG 2.92Å; Y916-S919 PolarHBondContact O-N 2.9Å; I917-S919 PolarHBondContact O-N 2.95Å; S919-I921 PolarHBondContact O-N 3.4Å; S919-S922 WeakPolarHBondContact O-CB 3.44Å; S919-S922 PolarHBondContact O-N 2.8Å; S919-E923 PolarHBondContact O-N 3Å |
| 920 | S | 90.9 | Very high | 84.8 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 175.4 | 64.6 | 0 | 0 | 0 | 0 | 112.4 | Y891 Y892 Y916 I917 L918 S922 E923 G924 | Y891-S920 PolarHBondContact OH-OG 2.99Å; Y891-S920 VanDerWaalsContact OH-OG 3.07Å; Y892-S920 VanDerWaalsContact OH-C 3.3Å; Y892-S920 PolarHBondContact OH-O 3.21Å; Y916-S920 PolarHBondContact O-N 3.48Å; Y916-S920 PolarHBondContact O-OG 3.13Å; I917-S920 WeakPolarHBondContact CA-OG 3.4Å; I917-S920 PolarHBondContact O-N 3.34Å; I917-S920 PolarHBondContact O-OG 3.18Å; L918-S920 VanDerWaalsContact C-N 3.35Å; L918-S920 PolarHBondContact O-N 3.49Å; S920-S922 VanDerWaalsContact C-N 3.32Å; S920-S922 PolarHBondContact O-N 3.36Å; S920-E923 PolarHBondContact O-N 3.47Å; S920-G924 PolarHBondContact O-N 3.1Å |
| 921 | I | 91.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 175.9 | -68.7 | 167.8 | 0 | 0 | 0 | 110.3 | L895 I917 L918 S919 E923 G924 L925 C936 C939 L940 I943 M983 | L895-I921 HydrophobicContact CD2-CD1 4.04Å; L895-I921 HydrophobicContact CD2-CG1 3.97Å; I917-I921 HydrophobicContact CG2-CD1 4.02Å; I917-I921 WeakPolarHBondContact O-CG1 3.37Å; I917-I921 PolarHBondContact O-N 3.32Å; L918-I921 PolarHBondContact O-N 3.05Å; S919-I921 PolarHBondContact O-N 3.4Å; I921-E923 VanDerWaalsContact C-N 3.34Å; I921-E923 PolarHBondContact O-N 3.3Å; I921-G924 PolarHBondContact O-N 2.82Å; I921-L925 VanDerWaalsContact O-CG 3.3Å; I921-L925 WeakPolarHBondContact O-CG 3.35Å; I921-L925 PolarHBondContact O-N 2.97Å; I921-C936 HydrophobicContact CG2-CB 4.34Å; I921-C939 HydrophobicContact CD1-CB 4.03Å; I921-C939 HydrophobicContact CG1-CB 4.48Å; I921-L940 HydrophobicContact CG2-CB 4.17Å; I921-L940 HydrophobicContact CG2-CD2 4.49Å; I921-I943 HydrophobicContact CD1-CD1 3.68Å; I921-M983 HydrophobicContact CB-CE 4.34Å; I921-M983 HydrophobicContact CG2-CE 4.38Å |
| 922 | S | 86.6 | Confident | 84.4 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | 179.8 | -173.4 | 0 | 0 | 0 | 0 | 112.2 | L918 S919 S920 | L918-S922 PolarHBondContact O-N 2.99Å; S919-S922 WeakPolarHBondContact O-CB 3.44Å; S919-S922 PolarHBondContact O-N 2.8Å; S920-S922 VanDerWaalsContact C-N 3.32Å; S920-S922 PolarHBondContact O-N 3.36Å |
| 923 | E | 84.3 | Confident | 84.3 | Confident | 74 Ų | 74 | 34.2 Ų | 34.2 | 35% | 0.346 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -70.2 | -43.4 | 176 | -70.5 | 176.7 | -167.8 | 0 | 0 | 111.7 | L882 S919 S920 I921 L925 T926 | L882-E923 HydrophobicContact CD1-CB 4.16Å; S919-E923 PolarHBondContact O-N 3Å; S920-E923 PolarHBondContact O-N 3.47Å; I921-E923 VanDerWaalsContact C-N 3.34Å; I921-E923 PolarHBondContact O-N 3.3Å; E923-L925 VanDerWaalsContact C-N 3.26Å; E923-L925 PolarHBondContact O-N 2.93Å; E923-T926 PolarHBondContact O-N 3.33Å; E923-T926 PolarHBondContact O-OG1 2.98Å |
| 924 | G | 83.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.4 | -25.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S920 I921 T926 A927 | S920-G924 PolarHBondContact O-N 3.1Å; I921-G924 PolarHBondContact O-N 2.82Å; G924-T926 PolarHBondContact O-N 3.42Å; G924-A927 VanDerWaalsContact O-CB 3.24Å; G924-A927 WeakPolarHBondContact O-CB 3.36Å; G924-A927 PolarHBondContact O-N 3.08Å; G924-A927 VanDerWaalsContact O-N 3.16Å |
| 925 | L | 83.7 | Confident | 84.2 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.1 | 171.3 | -75.3 | 170.4 | 0 | 0 | 0 | 113 | I921 E923 C936 L940 V987 I990 | I921-L925 VanDerWaalsContact O-CG 3.3Å; I921-L925 WeakPolarHBondContact O-CG 3.35Å; I921-L925 PolarHBondContact O-N 2.97Å; E923-L925 VanDerWaalsContact C-N 3.26Å; E923-L925 PolarHBondContact O-N 2.93Å; L925-C936 HydrophobicContact CD2-CB 4.05Å; L925-C936 HydrophobicContact CG-CB 4.28Å; L925-L940 HydrophobicContact CD1-CD2 3.97Å; L925-V987 HydrophobicContact CD1-CG2 3.76Å; L925-V987 HydrophobicContact CD2-CG2 4.44Å; L925-I990 HydrophobicContact CB-CD1 4.44Å |
| 926 | T | 79.3 | Confident | 84.4 | Confident | 81 Ų | 81 | 33.8 Ų | 33.8 | 50% | 0.497 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 3.8 | 178.4 | 65.5 | 0 | 0 | 0 | 0 | 113.4 | E923 G924 T986 I990 | E923-T926 PolarHBondContact O-N 3.33Å; E923-T926 PolarHBondContact O-OG1 2.98Å; G924-T926 PolarHBondContact O-N 3.42Å; T926-T986 HydrophobicContact CG2-CG2 3.84Å; T926-I990 HydrophobicContact CG2-CD1 4.23Å |
| 927 | A | 76.1 | Confident | 84.4 | Confident | 28 Ų | 28 | 32.9 Ų | 32.9 | 23% | 0.231 | 19% | 0.186 | C | C | . | . | trans | -67 | 145.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G924 D929 V932 | G924-A927 VanDerWaalsContact O-CB 3.24Å; G924-A927 WeakPolarHBondContact O-CB 3.36Å; G924-A927 PolarHBondContact O-N 3.08Å; G924-A927 VanDerWaalsContact O-N 3.16Å; A927-D929 VanDerWaalsContact C-N 3.3Å; A927-D929 PolarHBondContact O-N 3.47Å; A927-V932 HydrophobicContact CB-CB 4.34Å; A927-V932 HydrophobicContact CB-CG1 3.85Å | ||
| 928 | L | 69.2 | Low | 84.4 | Confident | 155 Ų | 155 | 34.2 Ų | 34.2 | 81% | 0.812 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -68 | -28.6 | 176.4 | -65.3 | 173 | 0 | 0 | 0 | 112.8 | L172 T930 | L172-L928 HydrophobicContact CD1-CD2 4.34Å; L928-T930 PolarHBondContact O-N 3.35Å |
| 929 | D | 72.8 | Confident | 84.6 | Confident | 48 Ų | 48 | 33.9 Ų | 33.9 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | trans | -76.5 | 113 | 178.5 | -174.5 | -14.5 | 0 | 0 | 0 | 110.8 | Q889 A927 M931 V932 C933 | Q889-D929 PolarHBondContact NE2-OD2 2.91Å; A927-D929 VanDerWaalsContact C-N 3.3Å; A927-D929 PolarHBondContact O-N 3.47Å; D929-M931 PolarHBondContact O-N 2.96Å; D929-M931 WeakPolarHBondContact OD1-CB 3.49Å; D929-M931 PolarHBondContact OD1-N 2.96Å; D929-V932 HydrophobicContact CB-CB 4.14Å; D929-V932 HydrophobicContact CB-CG2 3.97Å; D929-V932 PolarHBondContact O-N 3.36Å; D929-V932 VanDerWaalsContact O-N 3.14Å; D929-C933 PolarHBondContact O-N 3.29Å | ||
| 930 | T | 79.8 | Confident | 84.8 | Confident | 55 Ų | 55 | 32.5 Ų | 32.5 | 34% | 0.337 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -53.3 | -35.9 | 177.6 | -50.9 | 0 | 0 | 0 | 0 | 113.2 | L928 T934 N998 | L928-T930 PolarHBondContact O-N 3.35Å; T930-T934 WeakPolarHBondContact O-CB 3.48Å; T930-T934 PolarHBondContact O-N 3.07Å; T930-T934 PolarHBondContact O-OG1 3.3Å; T930-N998 VanDerWaalsContact CG2-ND2 3.34Å; T930-N998 WeakPolarHBondContact CG2-ND2 3.22Å; T930-N998 WeakPolarHBondContact CG2-OD1 3.29Å; T930-N998 PolarHBondContact O-ND2 3.39Å |
| 931 | M | 79.6 | Confident | 84.9 | Confident | 134 Ų | 134 | 32.8 Ų | 32.8 | 66% | 0.66 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -71.7 | -40.9 | -179.6 | -68.7 | -62.7 | -68.3 | 0 | 0 | 111.4 | D929 T934 G935 | D929-M931 PolarHBondContact O-N 2.96Å; D929-M931 WeakPolarHBondContact OD1-CB 3.49Å; D929-M931 PolarHBondContact OD1-N 2.96Å; M931-T934 PolarHBondContact O-N 2.96Å; M931-G935 PolarHBondContact O-N 3.32Å |
| 932 | V | 83.8 | Confident | 85 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.1 | -48.6 | 175.9 | 169.4 | 0 | 0 | 0 | 0 | 110.3 | Q889 Y892 A927 D929 T934 G935 C936 | Q889-V932 HydrophobicContact CG-CG2 4.17Å; Y892-V932 HydrophobicContact CD2-CB 4.44Å; Y892-V932 HydrophobicContact CD2-CG1 3.57Å; Y892-V932 HydrophobicContact CD2-CG2 4.46Å; Y892-V932 HydrophobicContact CE2-CG1 3.54Å; Y892-V932 HydrophobicContact CG-CG1 4.49Å; A927-V932 HydrophobicContact CB-CB 4.34Å; A927-V932 HydrophobicContact CB-CG1 3.85Å; D929-V932 HydrophobicContact CB-CB 4.14Å; D929-V932 HydrophobicContact CB-CG2 3.97Å; D929-V932 PolarHBondContact O-N 3.36Å; D929-V932 VanDerWaalsContact O-N 3.14Å; V932-T934 VanDerWaalsContact C-N 3.32Å; V932-T934 PolarHBondContact O-N 3.08Å; V932-G935 PolarHBondContact O-N 3.2Å; V932-C936 PolarHBondContact O-N 2.96Å; V932-C936 PolarHBondContact O-SG 2.92Å |
| 933 | C | 85.2 | Confident | 85.2 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.4 | -42.2 | 177.5 | 175.9 | 0 | 0 | 0 | 0 | 111.9 | D929 C936 C937 M1002 | D929-C933 PolarHBondContact O-N 3.29Å; C933-C936 PolarHBondContact O-N 2.86Å; C933-C937 PolarHBondContact O-N 3.3Å; C933-C937 PolarHBondContact O-SG 3.31Å; C933-M1002 WeakPolarHBondContact SG-CE 3.11Å |
| 934 | T | 87.4 | Confident | 85.5 | Confident | 40 Ų | 40 | 31.1 Ų | 31.1 | 25% | 0.245 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -47.3 | 176.4 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | T930 M931 V932 C936 C937 S938 N998 | T930-T934 WeakPolarHBondContact O-CB 3.48Å; T930-T934 PolarHBondContact O-N 3.07Å; T930-T934 PolarHBondContact O-OG1 3.3Å; M931-T934 PolarHBondContact O-N 2.96Å; V932-T934 VanDerWaalsContact C-N 3.32Å; V932-T934 PolarHBondContact O-N 3.08Å; T934-C936 VanDerWaalsContact C-N 3.33Å; T934-C936 PolarHBondContact O-N 3.28Å; T934-C937 WeakPolarHBondContact O-CB 3.36Å; T934-C937 PolarHBondContact O-N 2.84Å; T934-S938 PolarHBondContact O-N 3.33Å; T934-S938 PolarHBondContact O-OG 3.21Å; T934-N998 PolarHBondContact OG1-ND2 2.86Å |
| 935 | G | 87.7 | Confident | 85.8 | Confident | 6 Ų | 6 | 32 Ų | 32 | 6% | 0.062 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M931 V932 C937 S938 C939 | M931-G935 PolarHBondContact O-N 3.32Å; V932-G935 PolarHBondContact O-N 3.2Å; G935-C937 PolarHBondContact O-N 3.33Å; G935-S938 PolarHBondContact O-N 3.24Å; G935-C939 PolarHBondContact O-N 2.84Å; G935-C939 PolarHBondContact O-SG 3.41Å |
| 936 | C | 91.1 | Very high | 86 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 174.6 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | Y892 I921 L925 V932 C933 T934 C939 L940 | Y892-C936 WeakPolarHBondContact CD1-SG 3.41Å; Y892-C936 WeakPolarHBondContact CE1-SG 3.38Å; Y892-C936 VanDerWaalsContact CZ-SG 3.6Å; I921-C936 HydrophobicContact CG2-CB 4.34Å; L925-C936 HydrophobicContact CD2-CB 4.05Å; L925-C936 HydrophobicContact CG-CB 4.28Å; V932-C936 PolarHBondContact O-N 2.96Å; V932-C936 PolarHBondContact O-SG 2.92Å; C933-C936 PolarHBondContact O-N 2.86Å; T934-C936 VanDerWaalsContact C-N 3.33Å; T934-C936 PolarHBondContact O-N 3.28Å; C936-C939 PolarHBondContact O-N 3.25Å; C936-L940 WeakPolarHBondContact O-CB 3.31Å; C936-L940 PolarHBondContact O-N 3.15Å |
| 937 | C | 91.2 | Very high | 86.3 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.8 | -67.8 | 0 | 0 | 0 | 0 | 112 | C933 T934 G935 L940 D941 S1001 M1002 P1005 | C933-C937 PolarHBondContact O-N 3.3Å; C933-C937 PolarHBondContact O-SG 3.31Å; T934-C937 WeakPolarHBondContact O-CB 3.36Å; T934-C937 PolarHBondContact O-N 2.84Å; G935-C937 PolarHBondContact O-N 3.33Å; C937-L940 PolarHBondContact O-N 2.6Å; C937-D941 PolarHBondContact O-N 2.86Å; C937-S1001 WeakPolarHBondContact CB-O 3.26Å; C937-M1002 VanDerWaalsContact SG-CG 3.6Å; C937-P1005 HydrophobicContact CB-CG 4.15Å |
| 938 | S | 91.8 | Very high | 86.7 | Confident | 31 Ų | 31 | 29.7 Ų | 29.7 | 22% | 0.217 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.3 | -49.3 | 174.7 | -67.7 | 0 | 0 | 0 | 0 | 111.6 | E896 T934 G935 L940 D941 H942 | E896-S938 WeakPolarHBondContact OE1-CB 3.36Å; E896-S938 PolarHBondContact OE1-OG 3.4Å; T934-S938 PolarHBondContact O-N 3.33Å; T934-S938 PolarHBondContact O-OG 3.21Å; G935-S938 PolarHBondContact O-N 3.24Å; S938-L940 VanDerWaalsContact C-N 3.29Å; S938-L940 PolarHBondContact O-N 2.82Å; S938-D941 PolarHBondContact O-N 3.01Å; S938-H942 VanDerWaalsContact O-CG 3.28Å; S938-H942 PolarHBondContact O-N 3.28Å; S938-H942 PolarHBondContact O-ND1 3.15Å |
| 939 | C | 93.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.6 | -46.7 | 177.6 | -67 | 0 | 0 | 0 | 0 | 111.2 | L895 E896 T899 I921 G935 C936 H942 I943 | L895-C939 HydrophobicContact CD2-CB 4.43Å; L895-C939 HydrophobicContact CG-CB 4.5Å; E896-C939 WeakPolarHBondContact CA-SG 3.39Å; E896-C939 PolarHBondContact N-SG 2.89Å; T899-C939 HydrophobicContact CG2-CB 4.39Å; I921-C939 HydrophobicContact CD1-CB 4.03Å; I921-C939 HydrophobicContact CG1-CB 4.48Å; G935-C939 PolarHBondContact O-N 2.84Å; G935-C939 PolarHBondContact O-SG 3.41Å; C936-C939 PolarHBondContact O-N 3.25Å; C939-H942 PolarHBondContact O-N 3.35Å; C939-I943 VanDerWaalsContact O-CG1 3.27Å; C939-I943 WeakPolarHBondContact O-CG1 3.43Å; C939-I943 PolarHBondContact O-N 3.19Å |
| 940 | L | 93.1 | Very high | 87.8 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.8 | -41.7 | -179.6 | -173 | 55.3 | 0 | 0 | 0 | 111.9 | I921 L925 C936 C937 S938 H942 I943 V944 M983 P1005 L1009 | I921-L940 HydrophobicContact CG2-CB 4.17Å; I921-L940 HydrophobicContact CG2-CD2 4.49Å; L925-L940 HydrophobicContact CD1-CD2 3.97Å; C936-L940 WeakPolarHBondContact O-CB 3.31Å; C936-L940 PolarHBondContact O-N 3.15Å; C937-L940 PolarHBondContact O-N 2.6Å; S938-L940 VanDerWaalsContact C-N 3.29Å; S938-L940 PolarHBondContact O-N 2.82Å; L940-H942 VanDerWaalsContact C-N 3.33Å; L940-H942 PolarHBondContact O-N 3.09Å; L940-I943 PolarHBondContact O-N 2.96Å; L940-V944 HydrophobicContact CD1-CG2 3.91Å; L940-V944 HydrophobicContact CG-CG2 4.28Å; L940-V944 VanDerWaalsContact O-CB 3.26Å; L940-V944 WeakPolarHBondContact O-CB 3.36Å; L940-V944 WeakPolarHBondContact O-CG2 3.29Å; L940-V944 PolarHBondContact O-N 3.45Å; L940-M983 HydrophobicContact CD1-SD 3.63Å; L940-M983 HydrophobicContact CD2-CB 4.49Å; L940-M983 HydrophobicContact CD2-SD 4.32Å; L940-P1005 HydrophobicContact CB-CB 3.97Å; L940-P1005 HydrophobicContact CD2-CB 3.99Å; L940-P1005 HydrophobicContact CG-CB 3.79Å; L940-L1009 HydrophobicContact CD1-CD2 4.47Å; L940-L1009 HydrophobicContact CD2-CD1 4.02Å |
| 941 | D | 92.8 | Very high | 87.7 | Confident | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.043 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 176.2 | -173.5 | 50 | 0 | 0 | 0 | 111.1 | C937 S938 T945 R1004 P1005 R1056 | C937-D941 PolarHBondContact O-N 2.86Å; S938-D941 PolarHBondContact O-N 3.01Å; D941-T945 VanDerWaalsContact O-CB 3.24Å; D941-T945 WeakPolarHBondContact O-CB 3.28Å; D941-T945 PolarHBondContact O-N 2.99Å; D941-T945 PolarHBondContact O-OG1 3.24Å; D941-R1004 HydrophobicContact CB-CB 4.39Å; D941-P1005 HydrophobicContact CB-CB 4.24Å; D941-R1056 IonicContact OD1-CZ 3.01Å; D941-R1056 VanDerWaalsContact OD1-CZ 3.27Å; D941-R1056 IonicContact OD1-NE 3.57Å; D941-R1056 IonicContact OD1-NH1 2.65Å; D941-R1056 IonicContact OD1-NH2 3.82Å; D941-R1056 PolarHBondContact OD1-NH2 3.25Å; D941-R1056 IonicContact OD2-CZ 3.26Å; D941-R1056 VanDerWaalsContact OD2-CZ 3.31Å; D941-R1056 IonicContact OD2-NH1 3.92Å; D941-R1056 PolarHBondContact OD2-NH1 2.97Å; D941-R1056 VanDerWaalsContact OD2-NH1 3.14Å; D941-R1056 IonicContact OD2-NH2 3.92Å; D941-R1056 PolarHBondContact OD2-NH2 2.87Å |
| 942 | H | 93.1 | Very high | 87.4 | Confident | 45 Ų | 45 | 23.5 Ų | 23.5 | 21% | 0.208 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 176.8 | -63.8 | 153.9 | 0 | 0 | 0 | 112.3 | T899 S938 C939 L940 V944 T945 Y946 | T899-H942 PolarHBondContact OG1-ND1 3.31Å; S938-H942 VanDerWaalsContact O-CG 3.28Å; S938-H942 PolarHBondContact O-N 3.28Å; S938-H942 PolarHBondContact O-ND1 3.15Å; C939-H942 PolarHBondContact O-N 3.35Å; L940-H942 VanDerWaalsContact C-N 3.33Å; L940-H942 PolarHBondContact O-N 3.09Å; H942-V944 PolarHBondContact O-N 3.4Å; H942-T945 PolarHBondContact O-N 3.01Å; H942-Y946 WeakPolarHBondContact O-CB 3.21Å; H942-Y946 PolarHBondContact O-N 3.36Å |
| 943 | I | 90.9 | Very high | 86.7 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.3 | -48.8 | 178.7 | -68.3 | 166.6 | 0 | 0 | 0 | 110.7 | T899 M903 L918 I921 C939 L940 T945 Y946 L947 F969 | T899-I943 HydrophobicContact CG2-CD1 3.96Å; T899-I943 HydrophobicContact CG2-CG1 3.84Å; M903-I943 HydrophobicContact CE-CB 4.32Å; M903-I943 HydrophobicContact CE-CG1 3.96Å; M903-I943 HydrophobicContact CE-CG2 4.23Å; M903-I943 HydrophobicContact SD-CG1 4.14Å; L918-I943 HydrophobicContact CD2-CD1 4.34Å; I921-I943 HydrophobicContact CD1-CD1 3.68Å; C939-I943 VanDerWaalsContact O-CG1 3.27Å; C939-I943 WeakPolarHBondContact O-CG1 3.43Å; C939-I943 PolarHBondContact O-N 3.19Å; L940-I943 PolarHBondContact O-N 2.96Å; I943-T945 VanDerWaalsContact C-N 3.35Å; I943-T945 PolarHBondContact O-N 2.75Å; I943-Y946 WeakPolarHBondContact O-CB 3.21Å; I943-Y946 PolarHBondContact O-N 2.71Å; I943-L947 HydrophobicContact CG2-CD1 4.18Å; I943-L947 WeakPolarHBondContact O-CG 3.41Å; I943-L947 PolarHBondContact O-N 2.87Å; I943-F969 HydrophobicContact CG2-CE1 4.09Å; I943-F969 HydrophobicContact CG2-CZ 3.9Å |
| 944 | V | 89.8 | Confident | 85.5 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.6 | -39.3 | -178.9 | 166.9 | 0 | 0 | 0 | 0 | 111.3 | L940 H942 Y946 L947 F948 G1008 L1009 L1012 | L940-V944 HydrophobicContact CD1-CG2 3.91Å; L940-V944 HydrophobicContact CG-CG2 4.28Å; L940-V944 VanDerWaalsContact O-CB 3.26Å; L940-V944 WeakPolarHBondContact O-CB 3.36Å; L940-V944 WeakPolarHBondContact O-CG2 3.29Å; L940-V944 PolarHBondContact O-N 3.45Å; H942-V944 PolarHBondContact O-N 3.4Å; V944-Y946 VanDerWaalsContact C-N 3.31Å; V944-Y946 PolarHBondContact O-N 3.13Å; V944-L947 PolarHBondContact O-N 3.38Å; V944-F948 WeakPolarHBondContact O-CB 3.44Å; V944-F948 PolarHBondContact O-N 3.29Å; V944-G1008 WeakPolarHBondContact CG1-O 3.01Å; V944-L1009 HydrophobicContact CG2-CD2 3.72Å; V944-L1009 HydrophobicContact CG2-CG 4.16Å; V944-L1012 HydrophobicContact CB-CD1 4.33Å; V944-L1012 HydrophobicContact CG1-CD1 3.74Å; V944-L1012 HydrophobicContact CG1-CG 4.38Å; V944-L1012 HydrophobicContact CG2-CD1 4.32Å |
| 945 | T | 89.9 | Confident | 83.9 | Confident | 17 Ų | 17 | 39.4 Ų | 39.4 | 10% | 0.104 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 173.9 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | D941 H942 I943 K949 L1051 R1056 | D941-T945 VanDerWaalsContact O-CB 3.24Å; D941-T945 WeakPolarHBondContact O-CB 3.28Å; D941-T945 PolarHBondContact O-N 2.99Å; D941-T945 PolarHBondContact O-OG1 3.24Å; H942-T945 PolarHBondContact O-N 3.01Å; I943-T945 VanDerWaalsContact C-N 3.35Å; I943-T945 PolarHBondContact O-N 2.75Å; T945-K949 HydrophobicContact CG2-CD 4.2Å; T945-K949 WeakPolarHBondContact O-CB 3.26Å; T945-K949 WeakPolarHBondContact O-CG 3.34Å; T945-K949 PolarHBondContact O-N 2.98Å; T945-L1051 HydrophobicContact CG2-CD1 4.5Å; T945-R1056 PolarHBondContact OG1-NH2 3.28Å |
| 946 | Y | 88.1 | Confident | 82.3 | Confident | 37 Ų | 37 | 46.8 Ų | 46.8 | 15% | 0.145 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.3 | -49.6 | 178 | -179.9 | -95.2 | 0 | 0 | 0 | 111.2 | M903 N904 A907 H942 I943 V944 F948 K949 Q950 | M903-Y946 HydrophobicContact CB-CD2 4.09Å; M903-Y946 HydrophobicContact CB-CE2 4.34Å; M903-Y946 HydrophobicContact CE-CD1 3.92Å; M903-Y946 HydrophobicContact CE-CE1 4.47Å; M903-Y946 HydrophobicContact CE-CG 4.24Å; M903-Y946 HydrophobicContact CG-CD1 3.94Å; M903-Y946 HydrophobicContact CG-CD2 3.51Å; M903-Y946 HydrophobicContact CG-CE1 4.33Å; M903-Y946 HydrophobicContact CG-CE2 3.93Å; M903-Y946 HydrophobicContact CG-CG 3.5Å; M903-Y946 VanDerWaalsContact CG-CG 3.5Å; N904-Y946 PolarHBondContact OD1-OH 2.98Å; A907-Y946 HydrophobicContact CB-CE1 4.15Å; H942-Y946 WeakPolarHBondContact O-CB 3.21Å; H942-Y946 PolarHBondContact O-N 3.36Å; I943-Y946 WeakPolarHBondContact O-CB 3.21Å; I943-Y946 PolarHBondContact O-N 2.71Å; V944-Y946 VanDerWaalsContact C-N 3.31Å; V944-Y946 PolarHBondContact O-N 3.13Å; Y946-F948 PolarHBondContact O-N 2.88Å; Y946-K949 PolarHBondContact O-N 3.11Å; Y946-Q950 HydrophobicContact CD1-CG 4.33Å; Y946-Q950 HydrophobicContact CE1-CG 4Å; Y946-Q950 PolarHBondContact O-N 3.04Å; Y946-Q950 PolarHBondContact OH-NE2 3.41Å |
| 947 | L | 85.6 | Confident | 80 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.2 | -47.6 | 176.2 | -74.8 | 173.4 | 0 | 0 | 0 | 112.1 | I943 V944 K949 Q950 L951 F969 L970 M973 I980 L1012 | I943-L947 HydrophobicContact CG2-CD1 4.18Å; I943-L947 WeakPolarHBondContact O-CG 3.41Å; I943-L947 PolarHBondContact O-N 2.87Å; V944-L947 PolarHBondContact O-N 3.38Å; L947-K949 VanDerWaalsContact C-N 3.33Å; L947-K949 PolarHBondContact O-N 3.47Å; L947-Q950 PolarHBondContact O-N 3.01Å; L947-L951 WeakPolarHBondContact O-CG 3.28Å; L947-L951 PolarHBondContact O-N 3.12Å; L947-F969 HydrophobicContact CD1-CE1 4.02Å; L947-F969 HydrophobicContact CD2-CD1 3.53Å; L947-F969 HydrophobicContact CD2-CE1 3.55Å; L947-F969 HydrophobicContact CG-CD1 4.27Å; L947-F969 HydrophobicContact CG-CE1 3.81Å; L947-L970 HydrophobicContact CD2-CD1 4.06Å; L947-M973 HydrophobicContact CD1-CG 4.33Å; L947-M973 HydrophobicContact CD2-CG 4.32Å; L947-I980 HydrophobicContact CD1-CD1 4.13Å; L947-L1012 HydrophobicContact CB-CD1 4.06Å; L947-L1012 HydrophobicContact CB-CD2 4.42Å; L947-L1012 HydrophobicContact CD1-CD1 4.24Å |
| 948 | F | 85.1 | Confident | 77.6 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 9% | 0.092 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | 179.1 | -175.3 | -93.3 | 0 | 0 | 0 | 112.1 | V944 Y946 S952 L1011 L1012 R1049 L1051 | V944-F948 WeakPolarHBondContact O-CB 3.44Å; V944-F948 PolarHBondContact O-N 3.29Å; Y946-F948 PolarHBondContact O-N 2.88Å; F948-S952 VanDerWaalsContact O-CB 3.31Å; F948-S952 WeakPolarHBondContact O-CB 3.5Å; F948-S952 PolarHBondContact O-N 2.78Å; F948-S952 PolarHBondContact O-OG 3.32Å; F948-L1011 HydrophobicContact CD2-CB 4.26Å; F948-L1011 HydrophobicContact CE2-CB 3.99Å; F948-L1011 HydrophobicContact CE2-CD1 4.24Å; F948-L1011 HydrophobicContact CZ-CD1 4.49Å; F948-L1012 HydrophobicContact CB-CD2 4.17Å; F948-L1012 HydrophobicContact CD2-CD2 4.25Å; F948-R1049 HydrophobicContact CE2-CG 4.47Å; F948-R1049 HydrophobicContact CZ-CG 4.34Å; F948-L1051 HydrophobicContact CB-CD1 3.67Å; F948-L1051 HydrophobicContact CD1-CD1 3.86Å; F948-L1051 HydrophobicContact CD1-CG 4.06Å; F948-L1051 HydrophobicContact CD2-CD1 4.45Å; F948-L1051 HydrophobicContact CE1-CG 4.42Å; F948-L1051 HydrophobicContact CG-CD1 3.73Å; F948-L1051 HydrophobicContact CG-CG 4.25Å |
| 949 | K | 85 | Confident | 75.1 | Confident | 120 Ų | 120 | 73 Ų | 73 | 52% | 0.522 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 176.1 | -76.6 | 174.9 | -179.3 | 172.7 | 0 | 112.2 | T945 Y946 L947 R953 | T945-K949 HydrophobicContact CG2-CD 4.2Å; T945-K949 WeakPolarHBondContact O-CB 3.26Å; T945-K949 WeakPolarHBondContact O-CG 3.34Å; T945-K949 PolarHBondContact O-N 2.98Å; Y946-K949 PolarHBondContact O-N 3.11Å; L947-K949 VanDerWaalsContact C-N 3.33Å; L947-K949 PolarHBondContact O-N 3.47Å; K949-R953 WeakPolarHBondContact O-CB 3.29Å; K949-R953 VanDerWaalsContact O-CG 3.24Å; K949-R953 WeakPolarHBondContact O-CG 3.28Å; K949-R953 PolarHBondContact O-N 2.94Å; K949-R953 VanDerWaalsContact O-N 3.13Å |
| 950 | Q | 80.8 | Confident | 72.6 | Confident | 29 Ų | 29 | 78 Ų | 78 | 14% | 0.136 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.6 | -48.1 | 177 | -75.5 | -167 | -27.2 | 0 | 0 | 111.8 | Y946 L947 S952 R953 S954 S966 | Y946-Q950 HydrophobicContact CD1-CG 4.33Å; Y946-Q950 HydrophobicContact CE1-CG 4Å; Y946-Q950 PolarHBondContact O-N 3.04Å; Y946-Q950 PolarHBondContact OH-NE2 3.41Å; L947-Q950 PolarHBondContact O-N 3.01Å; Q950-S952 VanDerWaalsContact C-N 3.34Å; Q950-S952 PolarHBondContact O-N 3.47Å; Q950-R953 PolarHBondContact O-N 2.87Å; Q950-R953 VanDerWaalsContact O-N 3.09Å; Q950-S954 PolarHBondContact O-N 3.07Å; Q950-S966 PolarHBondContact NE2-O 2.92Å; Q950-S966 VanDerWaalsContact NE2-O 3.16Å |
| 951 | L | 76.4 | Confident | 70.1 | Confident | 61 Ų | 61 | 83.8 Ų | 83.8 | 32% | 0.319 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 176.7 | -75.8 | 166.7 | 0 | 0 | 0 | 111.4 | L947 R953 S954 T955 L970 L1012 | L947-L951 WeakPolarHBondContact O-CG 3.28Å; L947-L951 PolarHBondContact O-N 3.12Å; L951-R953 PolarHBondContact O-N 3.28Å; L951-S954 PolarHBondContact O-N 3.22Å; L951-S954 VanDerWaalsContact O-N 3.17Å; L951-S954 PolarHBondContact O-OG 2.96Å; L951-T955 PolarHBondContact O-N 3.29Å; L951-T955 PolarHBondContact O-OG1 3Å; L951-L970 HydrophobicContact CD1-CD1 4.39Å; L951-L970 HydrophobicContact CD2-CD1 3.79Å; L951-L970 HydrophobicContact CD2-CD2 4.19Å; L951-L970 HydrophobicContact CD2-CG 4.47Å; L951-L970 HydrophobicContact CG-CD1 3.78Å; L951-L1012 HydrophobicContact CD1-CD2 3.54Å |
| 952 | S | 73.7 | Confident | 67.7 | Low | 52 Ų | 52 | 90.6 Ų | 90.6 | 36% | 0.364 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.6 | -27.7 | 177.7 | -60.5 | 0 | 0 | 0 | 0 | 113.7 | F948 Q950 | F948-S952 VanDerWaalsContact O-CB 3.31Å; F948-S952 WeakPolarHBondContact O-CB 3.5Å; F948-S952 PolarHBondContact O-N 2.78Å; F948-S952 PolarHBondContact O-OG 3.32Å; Q950-S952 VanDerWaalsContact C-N 3.34Å; Q950-S952 PolarHBondContact O-N 3.47Å |
| 953 | R | 69.4 | Low | 65.5 | Low | 183 Ų | 183 | 93.9 Ų | 93.9 | 69% | 0.691 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -79.5 | -37.1 | 175.5 | -75.2 | 172.2 | 179.3 | -172.3 | 0.4 | 111.8 | K949 Q950 L951 T955 K956 | K949-R953 WeakPolarHBondContact O-CB 3.29Å; K949-R953 VanDerWaalsContact O-CG 3.24Å; K949-R953 WeakPolarHBondContact O-CG 3.28Å; K949-R953 PolarHBondContact O-N 2.94Å; K949-R953 VanDerWaalsContact O-N 3.13Å; Q950-R953 PolarHBondContact O-N 2.87Å; Q950-R953 VanDerWaalsContact O-N 3.09Å; L951-R953 PolarHBondContact O-N 3.28Å; R953-T955 VanDerWaalsContact C-N 3.28Å; R953-T955 PolarHBondContact O-N 3.16Å; R953-K956 PolarHBondContact O-N 3.23Å |
| 954 | S | 59 | Low | 63.5 | Low | 84 Ų | 84 | 101.7 Ų | 101.7 | 59% | 0.587 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.2 | -30.6 | 178.4 | 74.3 | 0 | 0 | 0 | 0 | 113.5 | Q950 L951 K956 | Q950-S954 PolarHBondContact O-N 3.07Å; L951-S954 PolarHBondContact O-N 3.22Å; L951-S954 VanDerWaalsContact O-N 3.17Å; L951-S954 PolarHBondContact O-OG 2.96Å; S954-K956 VanDerWaalsContact C-N 3.34Å; S954-K956 PolarHBondContact O-N 3.43Å |
| 955 | T | 55 | Low | 61.6 | Low | 118 Ų | 118 | 106.7 Ų | 106.7 | 72% | 0.724 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -17.5 | 179.4 | -27.1 | 0 | 0 | 0 | 0 | 113.3 | L951 R953 | L951-T955 PolarHBondContact O-N 3.29Å; L951-T955 PolarHBondContact O-OG1 3Å; R953-T955 VanDerWaalsContact C-N 3.28Å; R953-T955 PolarHBondContact O-N 3.16Å |
| 956 | K | 52.8 | Low | 59.7 | Low | 161 Ų | 161 | 107.9 Ų | 107.9 | 70% | 0.7 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -94.2 | 102.2 | 175.7 | -71.3 | -177.7 | 178.6 | -179.9 | 0 | 109.2 | R953 S954 R958 | R953-K956 PolarHBondContact O-N 3.23Å; S954-K956 VanDerWaalsContact C-N 3.34Å; S954-K956 PolarHBondContact O-N 3.43Å; K956-R958 PolarHBondContact O-N 3.03Å; K956-R958 VanDerWaalsContact O-N 3.1Å |
| 957 | K | 43.7 | Very low | 58.4 | Low | 214 Ų | 214 | 111.1 Ų | 111.1 | 93% | 0.93 | 56% | 0.563 | S | S | * | * | trans | -42.2 | 116.7 | 175.4 | -75.1 | -177.4 | 176.4 | 179.9 | 0 | 111.1 | ||||
| 958 | R | 41.5 | Very low | 57.4 | Low | 218 Ų | 218 | 118 Ų | 118 | 82% | 0.823 | 59% | 0.589 | S | S | * | * | trans | -129.6 | 144.1 | 171.1 | -91.9 | -174.4 | 172.1 | -173.8 | -3.2 | 111.3 | K956 | K956-R958 PolarHBondContact O-N 3.03Å; K956-R958 VanDerWaalsContact O-N 3.1Å | ||
| 959 | T | 38.9 | Very low | 56.6 | Low | 149 Ų | 149 | 117 Ų | 117 | 91% | 0.914 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -94 | 22 | -170.6 | 31.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 960 | T | 41.3 | Very low | 55.9 | Low | 105 Ų | 105 | 112.3 Ų | 112.3 | 64% | 0.644 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -134.1 | 127.1 | -178.9 | -23.8 | 0 | 0 | 0 | 0 | 110.1 | L962 | T960-L962 PolarHBondContact O-N 3.35Š|
| 961 | P | 39.6 | Very low | 55.3 | Low | 126 Ų | 126 | 115.7 Ų | 115.7 | 82% | 0.818 | 58% | 0.581 | S | S | * | * | trans | -68.3 | 122.4 | 179.8 | 26.7 | -30.8 | 0 | 0 | 0 | 109.6 | ||||
| 962 | L | 42.7 | Very low | 54.9 | Low | 151 Ų | 151 | 113.4 Ų | 113.4 | 79% | 0.791 | 57% | 0.569 | S | S | * | * | trans | -90.6 | 152.2 | 170.1 | -86.2 | 154.8 | 0 | 0 | 0 | 109.8 | T960 Q964 | T960-L962 PolarHBondContact O-N 3.35Å; L962-Q964 PolarHBondContact O-N 3.48Å | ||
| 963 | N | 46.5 | Very low | 54.8 | Low | 114 Ų | 114 | 111.5 Ų | 111.5 | 61% | 0.61 | 55% | 0.554 | S | S | * | * | trans | -45 | 125.5 | 179.5 | -75.3 | -13.1 | 0 | 0 | 0 | 113.1 | E965 S966 | N963-E965 PolarHBondContact O-N 2.84Å; N963-S966 PolarHBondContact O-N 3.39Å | ||
| 964 | Q | 49.8 | Very low | 54.8 | Low | 168 Ų | 168 | 108.5 Ų | 108.5 | 79% | 0.785 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -12.1 | 179.1 | -69.6 | 174.3 | -11.8 | 0 | 0 | 115 | L962 | L962-Q964 PolarHBondContact O-N 3.48Š|
| 965 | E | 48.3 | Very low | 55.2 | Low | 107 Ų | 107 | 110 Ų | 110 | 50% | 0.5 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -32.1 | -175.6 | -64.9 | 178.4 | 161.3 | 0 | 0 | 113 | N963 D967 R968 | N963-E965 PolarHBondContact O-N 2.84Å; E965-D967 VanDerWaalsContact C-N 3.35Å; E965-D967 PolarHBondContact O-N 3.02Å; E965-R968 PolarHBondContact O-N 3.07Å |
| 966 | S | 49.9 | Very low | 56.1 | Low | 41 Ų | 41 | 108.3 Ų | 108.3 | 29% | 0.287 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -75.8 | -21.3 | -176 | -54.3 | 0 | 0 | 0 | 0 | 113.9 | Q950 N963 | Q950-S966 PolarHBondContact NE2-O 2.92Å; Q950-S966 VanDerWaalsContact NE2-O 3.16Å; N963-S966 PolarHBondContact O-N 3.39Å |
| 967 | D | 61.3 | Low | 57.2 | Low | 105 Ų | 105 | 103 Ų | 103 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -78.9 | -17.4 | 177.1 | -78.7 | -25 | 0 | 0 | 0 | 112.7 | E965 L970 H971 | E965-D967 VanDerWaalsContact C-N 3.35Å; E965-D967 PolarHBondContact O-N 3.02Å; D967-L970 PolarHBondContact O-N 2.91Å; D967-H971 VanDerWaalsContact O-CB 3.3Å; D967-H971 WeakPolarHBondContact O-CB 3.14Å; D967-H971 PolarHBondContact O-N 3.31Å |
| 968 | R | 65.2 | Low | 58.9 | Low | 150 Ų | 150 | 99.7 Ų | 99.7 | 57% | 0.566 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.9 | -46.1 | -179 | -68 | -175.5 | -174 | -178.9 | 3 | 112.3 | E965 L970 H971 I972 | E965-R968 PolarHBondContact O-N 3.07Å; R968-L970 VanDerWaalsContact C-N 3.32Å; R968-L970 PolarHBondContact O-N 3.37Å; R968-H971 PolarHBondContact O-N 3.49Å; R968-I972 WeakPolarHBondContact O-CD1 3.3Å; R968-I972 WeakPolarHBondContact O-CG1 3.45Å; R968-I972 PolarHBondContact O-N 2.88Å |
| 969 | F | 68 | Low | 60.7 | Low | 2 Ų | 2 | 90.3 Ų | 90.3 | 1% | 0.009 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 177.4 | -169.8 | -99.2 | 0 | 0 | 0 | 111.4 | M903 A907 I914 I943 L947 I972 M973 | M903-F969 HydrophobicContact CE-CE1 4.01Å; M903-F969 HydrophobicContact CE-CE2 4.48Å; M903-F969 HydrophobicContact CE-CZ 3.99Å; A907-F969 HydrophobicContact CB-CB 3.96Å; A907-F969 HydrophobicContact CB-CG 4.31Å; I914-F969 HydrophobicContact CD1-CD2 3.74Å; I914-F969 HydrophobicContact CD1-CE2 4.26Å; I914-F969 HydrophobicContact CG1-CD2 4.13Å; I914-F969 HydrophobicContact CG1-CE2 4.17Å; I914-F969 HydrophobicContact CG2-CD2 4.06Å; I914-F969 HydrophobicContact CG2-CE2 3.56Å; I914-F969 HydrophobicContact CG2-CZ 4.5Å; I943-F969 HydrophobicContact CG2-CE1 4.09Å; I943-F969 HydrophobicContact CG2-CZ 3.9Å; L947-F969 HydrophobicContact CD1-CE1 4.02Å; L947-F969 HydrophobicContact CD2-CD1 3.53Å; L947-F969 HydrophobicContact CD2-CE1 3.55Å; L947-F969 HydrophobicContact CG-CD1 4.27Å; L947-F969 HydrophobicContact CG-CE1 3.81Å; F969-I972 PolarHBondContact O-N 3.34Å; F969-M973 HydrophobicContact CD1-CG 4.38Å; F969-M973 HydrophobicContact CE1-CG 4.17Å; F969-M973 VanDerWaalsContact O-CG 3.29Å; F969-M973 WeakPolarHBondContact O-CG 3.26Å; F969-M973 PolarHBondContact O-N 3.05Å |
| 970 | L | 69.5 | Low | 62.8 | Low | 20 Ų | 20 | 84.1 Ų | 84.1 | 11% | 0.105 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 175.1 | -166.4 | 78.7 | 0 | 0 | 0 | 111.6 | L947 L951 D967 R968 M973 Q974 | L947-L970 HydrophobicContact CD2-CD1 4.06Å; L951-L970 HydrophobicContact CD1-CD1 4.39Å; L951-L970 HydrophobicContact CD2-CD1 3.79Å; L951-L970 HydrophobicContact CD2-CD2 4.19Å; L951-L970 HydrophobicContact CD2-CG 4.47Å; L951-L970 HydrophobicContact CG-CD1 3.78Å; D967-L970 PolarHBondContact O-N 2.91Å; R968-L970 VanDerWaalsContact C-N 3.32Å; R968-L970 PolarHBondContact O-N 3.37Å; L970-M973 PolarHBondContact O-N 2.94Å; L970-Q974 WeakPolarHBondContact O-CG 3.46Å; L970-Q974 PolarHBondContact O-N 2.94Å |
| 971 | H | 68.2 | Low | 64.9 | Low | 101 Ų | 101 | 81.3 Ų | 81.3 | 47% | 0.468 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 178.3 | -166.6 | 59.8 | 0 | 0 | 0 | 112.3 | D967 R968 M973 Q974 Q975 | D967-H971 VanDerWaalsContact O-CB 3.3Å; D967-H971 WeakPolarHBondContact O-CB 3.14Å; D967-H971 PolarHBondContact O-N 3.31Å; R968-H971 PolarHBondContact O-N 3.49Å; H971-M973 VanDerWaalsContact C-N 3.33Å; H971-M973 PolarHBondContact O-N 3.32Å; H971-Q974 PolarHBondContact O-N 3.29Å; H971-Q975 PolarHBondContact CD2-NE2 2.86Å; H971-Q975 PolarHBondContact NE2-NE2 2.79Å; H971-Q975 VanDerWaalsContact O-CG 3.32Å; H971-Q975 WeakPolarHBondContact O-CG 3.42Å; H971-Q975 PolarHBondContact O-N 3.38Å |
| 972 | I | 69.4 | Low | 67.1 | Low | 13 Ų | 13 | 80.2 Ų | 80.2 | 7% | 0.067 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.4 | -42 | 174.8 | -66.4 | 160.4 | 0 | 0 | 0 | 110.4 | P911 I914 R968 F969 Q974 Q975 H976 | P911-I972 HydrophobicContact CB-CD1 4.04Å; P911-I972 HydrophobicContact CB-CG1 4.42Å; P911-I972 HydrophobicContact CG-CD1 3.8Å; P911-I972 HydrophobicContact CG-CG1 4.29Å; I914-I972 HydrophobicContact CD1-CD1 3.74Å; R968-I972 WeakPolarHBondContact O-CD1 3.3Å; R968-I972 WeakPolarHBondContact O-CG1 3.45Å; R968-I972 PolarHBondContact O-N 2.88Å; F969-I972 PolarHBondContact O-N 3.34Å; I972-Q974 VanDerWaalsContact C-N 3.35Å; I972-Q975 PolarHBondContact O-N 2.65Å; I972-H976 PolarHBondContact O-N 3.3Å |
| 973 | M | 71.1 | Confident | 69.2 | Low | 12 Ų | 12 | 73.1 Ų | 73.1 | 6% | 0.059 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.1 | -30.8 | 176 | -67.9 | -65.2 | 93.4 | 0 | 0 | 113.2 | I914 L918 L947 F969 L970 H971 H976 I980 | I914-M973 HydrophobicContact CG2-CE 4.44Å; L918-M973 HydrophobicContact CD1-CE 3.33Å; L918-M973 HydrophobicContact CD1-SD 3.77Å; L947-M973 HydrophobicContact CD1-CG 4.33Å; L947-M973 HydrophobicContact CD2-CG 4.32Å; F969-M973 HydrophobicContact CD1-CG 4.38Å; F969-M973 HydrophobicContact CE1-CG 4.17Å; F969-M973 VanDerWaalsContact O-CG 3.29Å; F969-M973 WeakPolarHBondContact O-CG 3.26Å; F969-M973 PolarHBondContact O-N 3.05Å; L970-M973 PolarHBondContact O-N 2.94Å; H971-M973 VanDerWaalsContact C-N 3.33Å; H971-M973 PolarHBondContact O-N 3.32Å; M973-H976 CarbonylContact O-C 3.29Å; M973-I980 HydrophobicContact CB-CD1 4.25Å; M973-I980 HydrophobicContact CG-CD1 4.31Å; M973-I980 HydrophobicContact SD-CD1 3.81Å; M973-I980 HydrophobicContact SD-CG1 4.02Å |
| 974 | Q | 69 | Low | 71.2 | Confident | 120 Ų | 120 | 67.7 Ų | 67.7 | 56% | 0.561 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -70.4 | -31.9 | 170.3 | -74.7 | 173.9 | -5.1 | 0 | 0 | 112.6 | L970 H971 I972 | L970-Q974 WeakPolarHBondContact O-CG 3.46Å; L970-Q974 PolarHBondContact O-N 2.94Å; H971-Q974 PolarHBondContact O-N 3.29Å; I972-Q974 VanDerWaalsContact C-N 3.35Å |
| 975 | Q | 67 | Low | 72.9 | Confident | 114 Ų | 114 | 60.9 Ų | 60.9 | 53% | 0.533 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -77.9 | -26.2 | 176.2 | -72.7 | -178.5 | -8.1 | 0 | 0 | 113 | H971 I972 P977 | H971-Q975 PolarHBondContact CD2-NE2 2.86Å; H971-Q975 PolarHBondContact NE2-NE2 2.79Å; H971-Q975 VanDerWaalsContact O-CG 3.32Å; H971-Q975 WeakPolarHBondContact O-CG 3.42Å; H971-Q975 PolarHBondContact O-N 3.38Å; I972-Q975 PolarHBondContact O-N 2.65Å; Q975-P977 VanDerWaalsContact C-CD 3.45Å |
| 976 | H | 73.6 | Confident | 74.6 | Confident | 83 Ų | 83 | 57.1 Ų | 57.1 | 38% | 0.384 | 28% | 0.278 | S | S | . | . | trans | -126.6 | 62.4 | 179.2 | -63.2 | -69.4 | 0 | 0 | 0 | 112.7 | I972 M973 E978 M979 | I972-H976 PolarHBondContact O-N 3.3Å; M973-H976 CarbonylContact O-C 3.29Å; H976-E978 PolarHBondContact O-N 3.49Å; H976-M979 PolarHBondContact O-N 3.04Å | ||
| 977 | P | 76.6 | Confident | 76.3 | Confident | 50 Ų | 50 | 55.1 Ų | 55.1 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.9 | -24.4 | -179.4 | 28.2 | -34.9 | 0 | 0 | 0 | 112.7 | Q975 M979 I980 Q981 | Q975-P977 VanDerWaalsContact C-CD 3.45Å; P977-M979 PolarHBondContact O-N 2.82Å; P977-I980 PolarHBondContact O-N 3.14Å; P977-Q981 VanDerWaalsContact O-CG 3.3Å; P977-Q981 WeakPolarHBondContact O-CG 3.41Å; P977-Q981 PolarHBondContact O-N 3.15Å; P977-Q981 VanDerWaalsContact O-N 3.12Å |
| 978 | E | 79.9 | Confident | 77.4 | Confident | 144 Ų | 144 | 50.1 Ų | 50.1 | 67% | 0.673 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -54.4 | -36 | 180 | -63 | 174.4 | -170 | 0 | 0 | 112.7 | H976 Q981 Q982 | H976-E978 PolarHBondContact O-N 3.49Å; E978-Q981 PolarHBondContact O-N 3.45Å; E978-Q982 VanDerWaalsContact O-CB 3.23Å; E978-Q982 WeakPolarHBondContact O-CB 3.09Å; E978-Q982 PolarHBondContact O-N 3.26Å |
| 979 | M | 79.1 | Confident | 78.2 | Confident | 21 Ų | 21 | 45.7 Ų | 45.7 | 10% | 0.103 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.3 | -46.4 | -179 | -74.7 | -63.6 | -59.2 | 0 | 0 | 112.6 | M915 L918 H976 P977 Q981 Q982 M983 | M915-M979 HydrophobicContact CE-CG 3.72Å; M915-M979 HydrophobicContact CE-SD 3.94Å; M915-M979 HydrophobicContact SD-CG 4.37Å; L918-M979 HydrophobicContact CB-CE 3.95Å; H976-M979 PolarHBondContact O-N 3.04Å; P977-M979 PolarHBondContact O-N 2.82Å; M979-Q981 VanDerWaalsContact C-N 3.32Å; M979-Q982 PolarHBondContact O-N 2.93Å; M979-M983 HydrophobicContact CE-CE 4.32Å; M979-M983 WeakPolarHBondContact O-CG 3.5Å; M979-M983 PolarHBondContact O-N 2.92Å |
| 980 | I | 81.9 | Confident | 78.6 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 10% | 0.097 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.5 | -37.1 | 179.3 | -54.7 | -177.9 | 0 | 0 | 0 | 109.6 | L947 M973 P977 M983 L984 L1009 N1013 | L947-I980 HydrophobicContact CD1-CD1 4.13Å; M973-I980 HydrophobicContact CB-CD1 4.25Å; M973-I980 HydrophobicContact CG-CD1 4.31Å; M973-I980 HydrophobicContact SD-CD1 3.81Å; M973-I980 HydrophobicContact SD-CG1 4.02Å; P977-I980 PolarHBondContact O-N 3.14Å; I980-M983 PolarHBondContact O-N 2.94Å; I980-L984 WeakPolarHBondContact O-CB 3.37Å; I980-L984 PolarHBondContact O-N 3.04Å; I980-L1009 HydrophobicContact CG2-CD2 3.41Å; I980-L1009 VanDerWaalsContact CG2-CD2 3.41Å; I980-N1013 WeakPolarHBondContact CG2-ND2 3.49Å |
| 981 | Q | 86.4 | Confident | 79 | Confident | 47 Ų | 47 | 45 Ų | 45 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 173.8 | -71 | 175.2 | 0.1 | 0 | 0 | 112 | P977 E978 M979 L984 S985 Y1016 | P977-Q981 VanDerWaalsContact O-CG 3.3Å; P977-Q981 WeakPolarHBondContact O-CG 3.41Å; P977-Q981 PolarHBondContact O-N 3.15Å; P977-Q981 VanDerWaalsContact O-N 3.12Å; E978-Q981 PolarHBondContact O-N 3.45Å; M979-Q981 VanDerWaalsContact C-N 3.32Å; Q981-L984 PolarHBondContact O-N 3.34Å; Q981-S985 PolarHBondContact O-N 2.94Å; Q981-Y1016 HydrophobicContact CB-CD1 3.87Å; Q981-Y1016 HydrophobicContact CB-CD2 4.28Å; Q981-Y1016 HydrophobicContact CB-CE1 3.64Å; Q981-Y1016 HydrophobicContact CB-CE2 4.07Å; Q981-Y1016 HydrophobicContact CB-CG 4.18Å; Q981-Y1016 HydrophobicContact CG-CD1 3.77Å; Q981-Y1016 HydrophobicContact CG-CD2 3.92Å; Q981-Y1016 HydrophobicContact CG-CE1 4.07Å; Q981-Y1016 HydrophobicContact CG-CE2 4.21Å; Q981-Y1016 HydrophobicContact CG-CG 3.68Å; Q981-Y1016 WeakPolarHBondContact O-CE1 3.29Å |
| 982 | Q | 85.9 | Confident | 79.3 | Confident | 103 Ų | 103 | 40.8 Ų | 40.8 | 48% | 0.481 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.8 | -47.9 | 175 | -175.3 | -180 | -0.5 | 0 | 0 | 110.7 | E978 M979 L984 S985 T986 | E978-Q982 VanDerWaalsContact O-CB 3.23Å; E978-Q982 WeakPolarHBondContact O-CB 3.09Å; E978-Q982 PolarHBondContact O-N 3.26Å; M979-Q982 PolarHBondContact O-N 2.93Å; Q982-L984 VanDerWaalsContact C-N 3.33Å; Q982-L984 PolarHBondContact O-N 3.32Å; Q982-S985 CarbonylContact O-C 3.52Å; Q982-S985 WeakPolarHBondContact O-CB 3.49Å; Q982-S985 PolarHBondContact O-N 3.44Å; Q982-S985 VanDerWaalsContact O-N 3.14Å; Q982-T986 WeakPolarHBondContact O-CB 3.4Å; Q982-T986 PolarHBondContact O-N 3.31Å; Q982-T986 PolarHBondContact O-OG1 3.27Å |
| 983 | M | 87.6 | Confident | 79.2 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.4 | -42 | 176.1 | -71.7 | 176.4 | 177.2 | 0 | 0 | 112.3 | L918 I921 L940 M979 I980 T986 V987 L1009 | L918-M983 HydrophobicContact CB-CE 3.81Å; L918-M983 HydrophobicContact CD2-CE 3.99Å; L918-M983 HydrophobicContact CG-CE 4.5Å; L918-M983 WeakPolarHBondContact O-CE 3.48Å; I921-M983 HydrophobicContact CB-CE 4.34Å; I921-M983 HydrophobicContact CG2-CE 4.38Å; L940-M983 HydrophobicContact CD1-SD 3.63Å; L940-M983 HydrophobicContact CD2-CB 4.49Å; L940-M983 HydrophobicContact CD2-SD 4.32Å; M979-M983 HydrophobicContact CE-CE 4.32Å; M979-M983 WeakPolarHBondContact O-CG 3.5Å; M979-M983 PolarHBondContact O-N 2.92Å; I980-M983 PolarHBondContact O-N 2.94Å; M983-T986 PolarHBondContact O-N 3Å; M983-V987 VanDerWaalsContact O-CG2 3.32Å; M983-V987 WeakPolarHBondContact O-CG2 3.5Å; M983-V987 PolarHBondContact O-N 3.34Å; M983-L1009 HydrophobicContact CB-CD1 4.41Å |
| 984 | L | 88.3 | Confident | 79 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -47.1 | 173.8 | 174.1 | 57.6 | 0 | 0 | 0 | 111.1 | I980 Q981 Q982 L988 L1006 L1009 I1010 N1013 Y1016 F1017 | I980-L984 WeakPolarHBondContact O-CB 3.37Å; I980-L984 PolarHBondContact O-N 3.04Å; Q981-L984 PolarHBondContact O-N 3.34Å; Q982-L984 VanDerWaalsContact C-N 3.33Å; Q982-L984 PolarHBondContact O-N 3.32Å; L984-L988 VanDerWaalsContact O-CB 3.26Å; L984-L988 WeakPolarHBondContact O-CB 3.48Å; L984-L988 PolarHBondContact O-N 3.27Å; L984-L1006 HydrophobicContact CD1-CD1 3.46Å; L984-L1006 VanDerWaalsContact CD1-CD1 3.46Å; L984-L1009 HydrophobicContact CB-CB 4.14Å; L984-L1009 HydrophobicContact CB-CD1 4.41Å; L984-L1009 HydrophobicContact CD1-CB 3.92Å; L984-L1009 HydrophobicContact CG-CB 4.49Å; L984-I1010 HydrophobicContact CD1-CG1 3.84Å; L984-N1013 HydrophobicContact CD2-CB 4.31Å; L984-Y1016 HydrophobicContact CD2-CD1 3.96Å; L984-F1017 HydrophobicContact CD2-CB 4.2Å |
| 985 | S | 85.7 | Confident | 78.6 | Confident | 24 Ų | 24 | 46 Ų | 46 | 17% | 0.168 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.4 | -43.8 | 176.7 | -172.6 | 0 | 0 | 0 | 0 | 111.9 | Q981 Q982 L988 N989 | Q981-S985 PolarHBondContact O-N 2.94Å; Q982-S985 CarbonylContact O-C 3.52Å; Q982-S985 WeakPolarHBondContact O-CB 3.49Å; Q982-S985 PolarHBondContact O-N 3.44Å; Q982-S985 VanDerWaalsContact O-N 3.14Å; S985-L988 PolarHBondContact O-N 2.91Å; S985-N989 WeakPolarHBondContact O-CB 3.43Å; S985-N989 PolarHBondContact O-N 2.67Å; S985-N989 PolarHBondContact O-ND2 3.35Å; S985-N989 VanDerWaalsContact O-ND2 3.13Å; S985-N989 PolarHBondContact OG-ND2 2.83Å |
| 986 | T | 83.4 | Confident | 78.4 | Confident | 28 Ų | 28 | 41.1 Ų | 41.1 | 17% | 0.172 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.3 | -51.6 | 179.9 | -59.3 | 0 | 0 | 0 | 0 | 110.5 | T926 Q982 M983 L988 N989 I990 | T926-T986 HydrophobicContact CG2-CG2 3.84Å; Q982-T986 WeakPolarHBondContact O-CB 3.4Å; Q982-T986 PolarHBondContact O-N 3.31Å; Q982-T986 PolarHBondContact O-OG1 3.27Å; M983-T986 PolarHBondContact O-N 3Å; T986-L988 PolarHBondContact O-N 3.12Å; T986-N989 PolarHBondContact O-N 3.42Å; T986-I990 HydrophobicContact CG2-CD1 3.84Å; T986-I990 HydrophobicContact CG2-CG1 4.48Å; T986-I990 WeakPolarHBondContact O-CG1 3.22Å; T986-I990 PolarHBondContact O-N 3.03Å |
| 987 | V | 84.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -43.3 | 179.6 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | L925 M983 I990 I991 M1002 L1006 L1009 | L925-V987 HydrophobicContact CD1-CG2 3.76Å; L925-V987 HydrophobicContact CD2-CG2 4.44Å; M983-V987 VanDerWaalsContact O-CG2 3.32Å; M983-V987 WeakPolarHBondContact O-CG2 3.5Å; M983-V987 PolarHBondContact O-N 3.34Å; V987-I990 PolarHBondContact O-N 2.94Å; V987-I991 HydrophobicContact CG1-CD1 4.02Å; V987-I991 VanDerWaalsContact O-CG1 3.3Å; V987-I991 WeakPolarHBondContact O-CG1 3.36Å; V987-I991 PolarHBondContact O-N 3.45Å; V987-I991 VanDerWaalsContact O-N 3.1Å; V987-M1002 HydrophobicContact CG1-CB 4.16Å; V987-L1006 HydrophobicContact CG1-CB 3.97Å; V987-L1006 HydrophobicContact CG1-CD1 4.17Å; V987-L1006 HydrophobicContact CG1-CD2 4.49Å; V987-L1006 HydrophobicContact CG1-CG 4.44Å; V987-L1009 HydrophobicContact CG2-CD1 4.49Å |
| 988 | L | 84.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.4 | -41.9 | 178.6 | -170.2 | 66.6 | 0 | 0 | 0 | 111.6 | L984 S985 T986 I991 I992 L1006 F1017 L1020 I1024 F1040 | L984-L988 VanDerWaalsContact O-CB 3.26Å; L984-L988 WeakPolarHBondContact O-CB 3.48Å; L984-L988 PolarHBondContact O-N 3.27Å; S985-L988 PolarHBondContact O-N 2.91Å; T986-L988 PolarHBondContact O-N 3.12Å; L988-I991 PolarHBondContact O-N 3.08Å; L988-I992 HydrophobicContact CD1-CD1 3.89Å; L988-I992 HydrophobicContact CD1-CG1 4.36Å; L988-I992 HydrophobicContact CD2-CD1 4.26Å; L988-I992 HydrophobicContact CG-CD1 3.7Å; L988-I992 HydrophobicContact CG-CG1 4.41Å; L988-I992 WeakPolarHBondContact O-CB 3.4Å; L988-I992 VanDerWaalsContact O-CG1 3.31Å; L988-I992 WeakPolarHBondContact O-CG1 3.29Å; L988-I992 PolarHBondContact O-N 3.35Å; L988-L1006 HydrophobicContact CD1-CD2 4.4Å; L988-F1017 HydrophobicContact CD2-CE2 4.28Å; L988-L1020 HydrophobicContact CD2-CD2 3.53Å; L988-L1020 HydrophobicContact CD2-CG 4.07Å; L988-I1024 HydrophobicContact CD2-CD1 3.84Å; L988-F1040 HydrophobicContact CD2-CE1 4.37Å |
| 989 | N | 81.4 | Confident | 77.4 | Confident | 57 Ų | 57 | 40 Ų | 40 | 31% | 0.305 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 176 | -74.8 | -25 | 0 | 0 | 0 | 111.9 | S985 T986 I991 I992 F993 | S985-N989 WeakPolarHBondContact O-CB 3.43Å; S985-N989 PolarHBondContact O-N 2.67Å; S985-N989 PolarHBondContact O-ND2 3.35Å; S985-N989 VanDerWaalsContact O-ND2 3.13Å; S985-N989 PolarHBondContact OG-ND2 2.83Å; T986-N989 PolarHBondContact O-N 3.42Å; N989-I991 VanDerWaalsContact C-N 3.29Å; N989-I991 PolarHBondContact O-N 3.16Å; N989-I992 PolarHBondContact O-N 3.18Å; N989-F993 HydrophobicContact CB-CD2 4.19Å; N989-F993 WeakPolarHBondContact O-CB 3.23Å; N989-F993 PolarHBondContact O-N 3.32Å |
| 990 | I | 77 | Confident | 77.6 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.7 | -44 | 175.1 | -67.6 | 163.6 | 0 | 0 | 0 | 110.7 | L925 T926 T986 V987 E994 C996 M1002 | L925-I990 HydrophobicContact CB-CD1 4.44Å; T926-I990 HydrophobicContact CG2-CD1 4.23Å; T986-I990 HydrophobicContact CG2-CD1 3.84Å; T986-I990 HydrophobicContact CG2-CG1 4.48Å; T986-I990 WeakPolarHBondContact O-CG1 3.22Å; T986-I990 PolarHBondContact O-N 3.03Å; V987-I990 PolarHBondContact O-N 2.94Å; I990-E994 HydrophobicContact CB-CG 4.47Å; I990-E994 HydrophobicContact CG2-CB 4.3Å; I990-E994 HydrophobicContact CG2-CG 4.46Å; I990-E994 WeakPolarHBondContact O-CA 3.28Å; I990-E994 VanDerWaalsContact O-CB 3.22Å; I990-E994 WeakPolarHBondContact O-CB 3.49Å; I990-E994 PolarHBondContact O-N 2.89Å; I990-E994 VanDerWaalsContact O-N 3.13Å; I990-C996 HydrophobicContact CG2-CB 4.41Å; I990-M1002 HydrophobicContact CB-SD 4.24Å; I990-M1002 HydrophobicContact CD1-CE 4.29Å; I990-M1002 HydrophobicContact CG2-CE 3.7Å; I990-M1002 HydrophobicContact CG2-SD 3.59Å; I990-M1002 VanDerWaalsContact CG2-SD 3.59Å |
| 991 | I | 78.6 | Confident | 77.8 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.9 | -37.3 | -176.6 | -65.8 | 176.1 | 0 | 0 | 0 | 112.4 | V987 L988 N989 M1002 L1006 L1063 | V987-I991 HydrophobicContact CG1-CD1 4.02Å; V987-I991 VanDerWaalsContact O-CG1 3.3Å; V987-I991 WeakPolarHBondContact O-CG1 3.36Å; V987-I991 PolarHBondContact O-N 3.45Å; V987-I991 VanDerWaalsContact O-N 3.1Å; L988-I991 PolarHBondContact O-N 3.08Å; N989-I991 VanDerWaalsContact C-N 3.29Å; N989-I991 PolarHBondContact O-N 3.16Å; I991-M1002 HydrophobicContact CD1-CB 4.02Å; I991-M1002 HydrophobicContact CG1-CB 4.45Å; I991-M1002 HydrophobicContact CG1-SD 4.25Å; I991-L1006 HydrophobicContact CD1-CD2 3.74Å; I991-L1063 HydrophobicContact CD1-CD1 4.35Å; I991-L1063 HydrophobicContact CD1-CD2 3.89Å; I991-L1063 HydrophobicContact CG2-CD1 4.09Å; I991-L1063 HydrophobicContact CG2-CG 4.37Å |
| 992 | I | 73.5 | Confident | 77.9 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.062 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -81.5 | -42.2 | -176.8 | -67.2 | 177.3 | 0 | 0 | 0 | 111.9 | L988 N989 I1024 F1040 F1066 V1070 | L988-I992 HydrophobicContact CD1-CD1 3.89Å; L988-I992 HydrophobicContact CD1-CG1 4.36Å; L988-I992 HydrophobicContact CD2-CD1 4.26Å; L988-I992 HydrophobicContact CG-CD1 3.7Å; L988-I992 HydrophobicContact CG-CG1 4.41Å; L988-I992 WeakPolarHBondContact O-CB 3.4Å; L988-I992 VanDerWaalsContact O-CG1 3.31Å; L988-I992 WeakPolarHBondContact O-CG1 3.29Å; L988-I992 PolarHBondContact O-N 3.35Å; N989-I992 PolarHBondContact O-N 3.18Å; I992-I1024 HydrophobicContact CD1-CD1 4.1Å; I992-F1040 HydrophobicContact CD1-CZ 3.97Å; I992-F1066 HydrophobicContact CD1-CE1 4.11Å; I992-F1066 HydrophobicContact CD1-CZ 4.03Å; I992-F1066 HydrophobicContact CG1-CE1 3.81Å; I992-F1066 HydrophobicContact CG1-CZ 4.19Å; I992-V1070 HydrophobicContact CG2-CG1 4.1Å |
| 993 | F | 68.3 | Low | 78 | Confident | 91 Ų | 91 | 39.7 Ų | 39.7 | 40% | 0.399 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -113 | -7 | -166.5 | -57.6 | -67.5 | 0 | 0 | 0 | 114.4 | N989 | N989-F993 HydrophobicContact CB-CD2 4.19Å; N989-F993 WeakPolarHBondContact O-CB 3.23Å; N989-F993 PolarHBondContact O-N 3.32Å |
| 994 | E | 67.1 | Low | 78.1 | Confident | 73 Ų | 73 | 43.6 Ų | 43.6 | 34% | 0.341 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -118.5 | 161.4 | -178.7 | -42.5 | -166.7 | 163.9 | 0 | 0 | 113.1 | T173 I990 C996 R1067 | T173-E994 HydrophobicContact CG2-CB 4.06Å; T173-E994 HydrophobicContact CG2-CG 3.38Å; T173-E994 WeakPolarHBondContact CG2-OE1 3.47Å; I990-E994 HydrophobicContact CB-CG 4.47Å; I990-E994 HydrophobicContact CG2-CB 4.3Å; I990-E994 HydrophobicContact CG2-CG 4.46Å; I990-E994 WeakPolarHBondContact O-CA 3.28Å; I990-E994 VanDerWaalsContact O-CB 3.22Å; I990-E994 WeakPolarHBondContact O-CB 3.49Å; I990-E994 PolarHBondContact O-N 2.89Å; I990-E994 VanDerWaalsContact O-N 3.13Å; E994-C996 PolarHBondContact O-N 3.41Å; E994-R1067 PolarHBondContact O-NH2 3.48Å |
| 995 | D | 59.2 | Low | 78.3 | Confident | 92 Ų | 92 | 43.6 Ų | 43.6 | 49% | 0.492 | 20% | 0.199 | S | C | . | . | trans | -75.4 | 77.5 | 167.6 | -72.1 | -51.7 | 0 | 0 | 0 | 109.9 | R176 R997 | R176-D995 IonicContact CZ-OD2 3.03Å; R176-D995 IonicContact NE-OD2 3.44Å; R176-D995 IonicContact NH1-OD2 3.77Å; R176-D995 PolarHBondContact NH1-OD2 3.31Å; D995-R997 PolarHBondContact O-N 3.03Å | ||
| 996 | C | 63.9 | Low | 78.6 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 7% | 0.068 | 19% | 0.191 | C | C | . | . | trans | -62.5 | 98 | 175.9 | -173.6 | 0 | 0 | 0 | 0 | 110.6 | I990 E994 N998 Q999 M1002 R1067 | I990-C996 HydrophobicContact CG2-CB 4.41Å; E994-C996 PolarHBondContact O-N 3.41Å; C996-N998 VanDerWaalsContact C-N 3.33Å; C996-Q999 WeakPolarHBondContact SG-CA 3.45Å; C996-Q999 PolarHBondContact SG-N 2.84Å; C996-Q999 VanDerWaalsContact SG-N 3.43Å; C996-M1002 PolarHBondContact SG-SD 3.21Å; C996-R1067 PolarHBondContact O-NH1 3.21Å | ||
| 997 | R | 61 | Low | 79.1 | Confident | 193 Ų | 193 | 41.1 Ų | 41.1 | 73% | 0.728 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -26.2 | 172.9 | -65.2 | -178.4 | 179.3 | -177.9 | -1.9 | 112.2 | D995 | D995-R997 PolarHBondContact O-N 3.03Š|
| 998 | N | 71.1 | Confident | 79.2 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 12% | 0.118 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 38.6 | -175.4 | -78.8 | -18.2 | 0 | 0 | 0 | 113.9 | T930 T934 C996 W1000 S1001 M1002 | T930-N998 VanDerWaalsContact CG2-ND2 3.34Å; T930-N998 WeakPolarHBondContact CG2-ND2 3.22Å; T930-N998 WeakPolarHBondContact CG2-OD1 3.29Å; T930-N998 PolarHBondContact O-ND2 3.39Å; T934-N998 PolarHBondContact OG1-ND2 2.86Å; C996-N998 VanDerWaalsContact C-N 3.33Å; N998-W1000 VanDerWaalsContact C-N 3.26Å; N998-W1000 PolarHBondContact O-N 3.13Å; N998-S1001 PolarHBondContact O-N 2.99Å; N998-M1002 PolarHBondContact O-N 2.96Å |
| 999 | Q | 76.9 | Confident | 79.5 | Confident | 38 Ų | 38 | 41.1 Ų | 41.1 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.8 | -40.9 | -173.7 | -172.5 | -170.3 | -40.3 | 0 | 0 | 113.2 | C996 S1001 M1002 S1003 S1064 | C996-Q999 WeakPolarHBondContact SG-CA 3.45Å; C996-Q999 PolarHBondContact SG-N 2.84Å; C996-Q999 VanDerWaalsContact SG-N 3.43Å; Q999-S1001 VanDerWaalsContact C-N 3.34Å; Q999-S1001 PolarHBondContact O-N 3.36Å; Q999-M1002 PolarHBondContact O-N 3.16Å; Q999-S1003 PolarHBondContact O-N 2.77Å; Q999-S1003 VanDerWaalsContact O-N 3.13Å; Q999-S1064 PolarHBondContact NE2-OG 3.39Å |
| 1000 | W | 83.3 | Confident | 79.9 | Confident | 150 Ų | 150 | 38.5 Ų | 38.5 | 57% | 0.568 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -62.8 | -40.4 | 178.8 | -175.1 | -88.6 | 0 | 0 | 0 | 112.6 | N998 S1003 T1060 | N998-W1000 VanDerWaalsContact C-N 3.26Å; N998-W1000 PolarHBondContact O-N 3.13Å; W1000-S1003 PolarHBondContact O-OG 3.46Å; W1000-T1060 HydrophobicContact CD2-CG2 4.03Å; W1000-T1060 HydrophobicContact CE3-CG2 3.41Å; W1000-T1060 VanDerWaalsContact CE3-CG2 3.41Å; W1000-T1060 HydrophobicContact CH2-CG2 4.34Å; W1000-T1060 HydrophobicContact CZ3-CG2 3.59Å |
| 1001 | S | 85.8 | Confident | 80.5 | Confident | 28 Ų | 28 | 38.8 Ų | 38.8 | 20% | 0.196 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.5 | -37.5 | -179.7 | -52.9 | 0 | 0 | 0 | 0 | 111.3 | C937 N998 Q999 P1005 | C937-S1001 WeakPolarHBondContact CB-O 3.26Å; N998-S1001 PolarHBondContact O-N 2.99Å; Q999-S1001 VanDerWaalsContact C-N 3.34Å; Q999-S1001 PolarHBondContact O-N 3.36Å; S1001-P1005 WeakPolarHBondContact O-CD 3.26Å |
| 1002 | M | 87.8 | Confident | 80.8 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.03 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -73.8 | -25.6 | -179.5 | -70.2 | -175.4 | -177.2 | 0 | 0 | 114.2 | C933 C937 V987 I990 I991 C996 N998 Q999 R1004 P1005 L1006 | C933-M1002 WeakPolarHBondContact SG-CE 3.11Å; C937-M1002 VanDerWaalsContact SG-CG 3.6Å; V987-M1002 HydrophobicContact CG1-CB 4.16Å; I990-M1002 HydrophobicContact CB-SD 4.24Å; I990-M1002 HydrophobicContact CD1-CE 4.29Å; I990-M1002 HydrophobicContact CG2-CE 3.7Å; I990-M1002 HydrophobicContact CG2-SD 3.59Å; I990-M1002 VanDerWaalsContact CG2-SD 3.59Å; I991-M1002 HydrophobicContact CD1-CB 4.02Å; I991-M1002 HydrophobicContact CG1-CB 4.45Å; I991-M1002 HydrophobicContact CG1-SD 4.25Å; C996-M1002 PolarHBondContact SG-SD 3.21Å; N998-M1002 PolarHBondContact O-N 2.96Å; Q999-M1002 PolarHBondContact O-N 3.16Å; M1002-R1004 VanDerWaalsContact C-N 3.34Å; M1002-R1004 PolarHBondContact O-N 3.16Å; M1002-P1005 WeakPolarHBondContact O-CD 3.22Å; M1002-P1005 WeakPolarHBondContact O-CG 3.26Å; M1002-L1006 VanDerWaalsContact O-CB 3.28Å; M1002-L1006 WeakPolarHBondContact O-CB 3.36Å; M1002-L1006 PolarHBondContact O-N 3.02Å |
| 1003 | S | 89.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.3 | -38.9 | -177.2 | 68.6 | 0 | 0 | 0 | 0 | 113 | Q999 W1000 L1006 L1007 F1059 T1060 L1063 | Q999-S1003 PolarHBondContact O-N 2.77Å; Q999-S1003 VanDerWaalsContact O-N 3.13Å; W1000-S1003 PolarHBondContact O-OG 3.46Å; S1003-L1006 PolarHBondContact O-N 3.4Å; S1003-L1007 PolarHBondContact O-N 3Å; S1003-L1007 VanDerWaalsContact O-N 3.15Å; S1003-F1059 WeakPolarHBondContact O-CD1 3.47Å; S1003-F1059 VanDerWaalsContact O-CE1 3.31Å; S1003-F1059 WeakPolarHBondContact O-CE1 3.34Å; S1003-T1060 WeakPolarHBondContact CB-OG1 3.42Å; S1003-T1060 WeakPolarHBondContact OG-CG2 3.39Å; S1003-T1060 PolarHBondContact OG-OG1 3.5Å; S1003-L1063 VanDerWaalsContact CB-CD2 3.41Å |
| 1004 | R | 89.8 | Confident | 82.2 | Confident | 84 Ų | 84 | 41.3 Ų | 41.3 | 32% | 0.317 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.6 | -56.3 | -176.6 | -67.7 | -177 | 162.6 | -159.4 | -4.1 | 113.3 | D941 M1002 L1006 L1007 | D941-R1004 HydrophobicContact CB-CB 4.39Å; M1002-R1004 VanDerWaalsContact C-N 3.34Å; M1002-R1004 PolarHBondContact O-N 3.16Å; R1004-L1006 VanDerWaalsContact C-N 3.28Å; R1004-L1006 PolarHBondContact O-N 2.75Å; R1004-L1007 PolarHBondContact O-N 3.42Å |
| 1005 | P | 91.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.3 | -35.2 | 175.7 | 25 | -33.2 | 0 | 0 | 0 | 111.7 | C937 L940 D941 S1001 M1002 L1007 G1008 L1009 | C937-P1005 HydrophobicContact CB-CG 4.15Å; L940-P1005 HydrophobicContact CB-CB 3.97Å; L940-P1005 HydrophobicContact CD2-CB 3.99Å; L940-P1005 HydrophobicContact CG-CB 3.79Å; D941-P1005 HydrophobicContact CB-CB 4.24Å; S1001-P1005 WeakPolarHBondContact O-CD 3.26Å; M1002-P1005 WeakPolarHBondContact O-CD 3.22Å; M1002-P1005 WeakPolarHBondContact O-CG 3.26Å; P1005-L1007 PolarHBondContact O-N 3.17Å; P1005-G1008 PolarHBondContact O-N 3Å; P1005-L1009 VanDerWaalsContact O-CG 3.26Å; P1005-L1009 WeakPolarHBondContact O-CG 3.4Å; P1005-L1009 PolarHBondContact O-N 2.91Å |
| 1006 | L | 92.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.9 | -47.6 | 179.1 | 179.4 | 60.5 | 0 | 0 | 0 | 112.5 | L984 V987 L988 I991 M1002 S1003 R1004 G1008 L1009 I1010 F1059 L1063 | L984-L1006 HydrophobicContact CD1-CD1 3.46Å; L984-L1006 VanDerWaalsContact CD1-CD1 3.46Å; V987-L1006 HydrophobicContact CG1-CB 3.97Å; V987-L1006 HydrophobicContact CG1-CD1 4.17Å; V987-L1006 HydrophobicContact CG1-CD2 4.49Å; V987-L1006 HydrophobicContact CG1-CG 4.44Å; L988-L1006 HydrophobicContact CD1-CD2 4.4Å; I991-L1006 HydrophobicContact CD1-CD2 3.74Å; M1002-L1006 VanDerWaalsContact O-CB 3.28Å; M1002-L1006 WeakPolarHBondContact O-CB 3.36Å; M1002-L1006 PolarHBondContact O-N 3.02Å; S1003-L1006 PolarHBondContact O-N 3.4Å; R1004-L1006 VanDerWaalsContact C-N 3.28Å; R1004-L1006 PolarHBondContact O-N 2.75Å; L1006-G1008 VanDerWaalsContact C-N 3.29Å; L1006-G1008 PolarHBondContact O-N 3.13Å; L1006-L1009 PolarHBondContact O-N 2.88Å; L1006-I1010 HydrophobicContact CD1-CD1 4.06Å; L1006-I1010 HydrophobicContact CD1-CG1 4.19Å; L1006-I1010 HydrophobicContact CG-CD1 3.91Å; L1006-I1010 HydrophobicContact CG-CG1 4.47Å; L1006-I1010 VanDerWaalsContact O-CG1 3.3Å; L1006-I1010 WeakPolarHBondContact O-CG1 3.22Å; L1006-I1010 PolarHBondContact O-N 3.48Å; L1006-F1059 HydrophobicContact CB-CE1 4.2Å; L1006-F1059 HydrophobicContact CD2-CE1 4.08Å; L1006-F1059 HydrophobicContact CD2-CZ 3.96Å; L1006-F1059 HydrophobicContact CG-CE1 4.1Å; L1006-F1059 HydrophobicContact CG-CZ 4.01Å; L1006-L1063 HydrophobicContact CD2-CD1 3.96Å; L1006-L1063 HydrophobicContact CD2-CD2 4.34Å |
| 1007 | L | 92.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.4 | -46.4 | 177.4 | 175.9 | 60.3 | 0 | 0 | 0 | 111.2 | S1003 R1004 P1005 L1009 I1010 L1011 I1047 L1051 R1056 F1059 | S1003-L1007 PolarHBondContact O-N 3Å; S1003-L1007 VanDerWaalsContact O-N 3.15Å; R1004-L1007 PolarHBondContact O-N 3.42Å; P1005-L1007 PolarHBondContact O-N 3.17Å; L1007-L1009 PolarHBondContact O-N 3.35Å; L1007-I1010 PolarHBondContact O-N 3.03Å; L1007-L1011 HydrophobicContact CD1-CD1 4.24Å; L1007-L1011 HydrophobicContact CD1-CG 4.17Å; L1007-L1011 HydrophobicContact CG-CD1 4.3Å; L1007-L1011 WeakPolarHBondContact O-CG 3.36Å; L1007-L1011 PolarHBondContact O-N 2.93Å; L1007-I1047 HydrophobicContact CD1-CG2 3.63Å; L1007-L1051 HydrophobicContact CD2-CD2 4.17Å; L1007-L1051 HydrophobicContact CG-CD2 4.05Å; L1007-R1056 HydrophobicContact CD2-CG 3.91Å; L1007-F1059 HydrophobicContact CB-CD1 3.72Å; L1007-F1059 HydrophobicContact CB-CE1 3.97Å; L1007-F1059 HydrophobicContact CB-CG 4.02Å; L1007-F1059 HydrophobicContact CB-CZ 4.47Å; L1007-F1059 HydrophobicContact CD1-CB 4.41Å; L1007-F1059 HydrophobicContact CD1-CD2 3.94Å; L1007-F1059 HydrophobicContact CD1-CE2 4.33Å; L1007-F1059 HydrophobicContact CD1-CG 4.06Å; L1007-F1059 HydrophobicContact CD2-CB 4.03Å; L1007-F1059 HydrophobicContact CD2-CG 4.34Å; L1007-F1059 HydrophobicContact CG-CG 4.35Å |
| 1008 | G | 88.9 | Confident | 87 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.5 | -38.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V944 P1005 L1006 I1010 L1011 L1012 | V944-G1008 WeakPolarHBondContact CG1-O 3.01Å; P1005-G1008 PolarHBondContact O-N 3Å; L1006-G1008 VanDerWaalsContact C-N 3.29Å; L1006-G1008 PolarHBondContact O-N 3.13Å; G1008-I1010 VanDerWaalsContact C-N 3.34Å; G1008-L1011 PolarHBondContact O-N 3.03Å; G1008-L1012 VanDerWaalsContact O-CG 3.32Å; G1008-L1012 WeakPolarHBondContact O-CG 3.32Å; G1008-L1012 PolarHBondContact O-N 3.3Å |
| 1009 | L | 90.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 175.1 | -68.8 | 168.8 | 0 | 0 | 0 | 111.8 | L940 V944 I980 M983 L984 V987 P1005 L1006 L1007 L1012 N1013 | L940-L1009 HydrophobicContact CD1-CD2 4.47Å; L940-L1009 HydrophobicContact CD2-CD1 4.02Å; V944-L1009 HydrophobicContact CG2-CD2 3.72Å; V944-L1009 HydrophobicContact CG2-CG 4.16Å; I980-L1009 HydrophobicContact CG2-CD2 3.41Å; I980-L1009 VanDerWaalsContact CG2-CD2 3.41Å; M983-L1009 HydrophobicContact CB-CD1 4.41Å; L984-L1009 HydrophobicContact CB-CB 4.14Å; L984-L1009 HydrophobicContact CB-CD1 4.41Å; L984-L1009 HydrophobicContact CD1-CB 3.92Å; L984-L1009 HydrophobicContact CG-CB 4.49Å; V987-L1009 HydrophobicContact CG2-CD1 4.49Å; P1005-L1009 VanDerWaalsContact O-CG 3.26Å; P1005-L1009 WeakPolarHBondContact O-CG 3.4Å; P1005-L1009 PolarHBondContact O-N 2.91Å; L1006-L1009 PolarHBondContact O-N 2.88Å; L1007-L1009 PolarHBondContact O-N 3.35Å; L1009-L1012 PolarHBondContact O-N 2.89Å; L1009-N1013 PolarHBondContact O-N 3.43Å; L1009-N1013 VanDerWaalsContact O-N 3.09Å |
| 1010 | I | 90.4 | Very high | 88.2 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.1 | -49.9 | 175.5 | -68.3 | 168.7 | 0 | 0 | 0 | 110.4 | L984 L1006 L1007 G1008 L1012 N1013 E1014 F1017 M1044 F1059 | L984-I1010 HydrophobicContact CD1-CG1 3.84Å; L1006-I1010 HydrophobicContact CD1-CD1 4.06Å; L1006-I1010 HydrophobicContact CD1-CG1 4.19Å; L1006-I1010 HydrophobicContact CG-CD1 3.91Å; L1006-I1010 HydrophobicContact CG-CG1 4.47Å; L1006-I1010 VanDerWaalsContact O-CG1 3.3Å; L1006-I1010 WeakPolarHBondContact O-CG1 3.22Å; L1006-I1010 PolarHBondContact O-N 3.48Å; L1007-I1010 PolarHBondContact O-N 3.03Å; G1008-I1010 VanDerWaalsContact C-N 3.34Å; I1010-L1012 PolarHBondContact O-N 3.28Å; I1010-N1013 CarbonylContact O-C 3.46Å; I1010-N1013 VanDerWaalsContact O-C 3.29Å; I1010-N1013 PolarHBondContact O-N 3.32Å; I1010-N1013 VanDerWaalsContact O-N 3.11Å; I1010-E1014 WeakPolarHBondContact O-CA 3.41Å; I1010-E1014 PolarHBondContact O-N 3.15Å; I1010-F1017 HydrophobicContact CD1-CD2 4.15Å; I1010-F1017 HydrophobicContact CD1-CE2 3.79Å; I1010-F1017 HydrophobicContact CD1-CZ 3.98Å; I1010-F1017 HydrophobicContact CG1-CD2 3.76Å; I1010-F1017 HydrophobicContact CG1-CE2 3.95Å; I1010-F1017 HydrophobicContact CG1-CG 4.06Å; I1010-F1017 HydrophobicContact CG1-CZ 4.41Å; I1010-F1017 HydrophobicContact CG2-CB 4.39Å; I1010-F1017 HydrophobicContact CG2-CD1 3.78Å; I1010-F1017 HydrophobicContact CG2-CD2 4.48Å; I1010-F1017 HydrophobicContact CG2-CE1 4.14Å; I1010-F1017 HydrophobicContact CG2-CG 3.95Å; I1010-M1044 HydrophobicContact CD1-SD 4.4Å; I1010-M1044 HydrophobicContact CG2-CE 3.94Å; I1010-M1044 HydrophobicContact CG2-SD 4.2Å; I1010-F1059 HydrophobicContact CD1-CE2 4.13Å; I1010-F1059 HydrophobicContact CD1-CZ 3.83Å |
| 1011 | L | 88.4 | Confident | 88.4 | Confident | 11 Ų | 11 | 37 Ų | 37 | 6% | 0.058 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.3 | -25.6 | -178.7 | -66.7 | -176.8 | 0 | 0 | 0 | 113.4 | F948 L1007 G1008 R1049 L1051 | F948-L1011 HydrophobicContact CD2-CB 4.26Å; F948-L1011 HydrophobicContact CE2-CB 3.99Å; F948-L1011 HydrophobicContact CE2-CD1 4.24Å; F948-L1011 HydrophobicContact CZ-CD1 4.49Å; L1007-L1011 HydrophobicContact CD1-CD1 4.24Å; L1007-L1011 HydrophobicContact CD1-CG 4.17Å; L1007-L1011 HydrophobicContact CG-CD1 4.3Å; L1007-L1011 WeakPolarHBondContact O-CG 3.36Å; L1007-L1011 PolarHBondContact O-N 2.93Å; G1008-L1011 PolarHBondContact O-N 3.03Å; L1011-R1049 HydrophobicContact CD2-CG 4.37Å; L1011-L1051 HydrophobicContact CD1-CD2 3.85Å; L1011-L1051 HydrophobicContact CD1-CG 4.35Å |
| 1012 | L | 85.3 | Confident | 88.4 | Confident | 35 Ų | 35 | 38.1 Ų | 38.1 | 18% | 0.183 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -78.1 | -31.1 | 172.8 | -72.2 | 179.8 | 0 | 0 | 0 | 112.7 | V944 L947 F948 L951 G1008 L1009 I1010 | V944-L1012 HydrophobicContact CB-CD1 4.33Å; V944-L1012 HydrophobicContact CG1-CD1 3.74Å; V944-L1012 HydrophobicContact CG1-CG 4.38Å; V944-L1012 HydrophobicContact CG2-CD1 4.32Å; L947-L1012 HydrophobicContact CB-CD1 4.06Å; L947-L1012 HydrophobicContact CB-CD2 4.42Å; L947-L1012 HydrophobicContact CD1-CD1 4.24Å; F948-L1012 HydrophobicContact CB-CD2 4.17Å; F948-L1012 HydrophobicContact CD2-CD2 4.25Å; L951-L1012 HydrophobicContact CD1-CD2 3.54Å; G1008-L1012 VanDerWaalsContact O-CG 3.32Å; G1008-L1012 WeakPolarHBondContact O-CG 3.32Å; G1008-L1012 PolarHBondContact O-N 3.3Å; L1009-L1012 PolarHBondContact O-N 2.89Å; I1010-L1012 PolarHBondContact O-N 3.28Å |
| 1013 | N | 86.1 | Confident | 88.3 | Confident | 29 Ų | 29 | 41.5 Ų | 41.5 | 16% | 0.155 | 20% | 0.203 | C | C | . | . | trans | -129.9 | 50.9 | -172.4 | -69.5 | -65.9 | 0 | 0 | 0 | 113.3 | I980 L984 L1009 I1010 K1015 Y1016 F1017 | I980-N1013 WeakPolarHBondContact CG2-ND2 3.49Å; L984-N1013 HydrophobicContact CD2-CB 4.31Å; L1009-N1013 PolarHBondContact O-N 3.43Å; L1009-N1013 VanDerWaalsContact O-N 3.09Å; I1010-N1013 CarbonylContact O-C 3.46Å; I1010-N1013 VanDerWaalsContact O-C 3.29Å; I1010-N1013 PolarHBondContact O-N 3.32Å; I1010-N1013 VanDerWaalsContact O-N 3.11Å; N1013-K1015 VanDerWaalsContact C-N 3.28Å; N1013-K1015 PolarHBondContact O-N 3.4Å; N1013-Y1016 PolarHBondContact O-N 2.94Å; N1013-F1017 PolarHBondContact O-N 2.86Å | ||
| 1014 | E | 85.7 | Confident | 87.9 | Confident | 94 Ų | 94 | 42 Ų | 42 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -55.4 | -39.5 | -175.5 | -66.5 | 173.8 | -166.8 | 0 | 0 | 113.2 | I1010 F1017 S1018 R1049 | I1010-E1014 WeakPolarHBondContact O-CA 3.41Å; I1010-E1014 PolarHBondContact O-N 3.15Å; E1014-F1017 PolarHBondContact O-N 2.88Å; E1014-S1018 PolarHBondContact O-N 2.71Å; E1014-R1049 IonicContact OE1-CZ 3.92Å; E1014-R1049 IonicContact OE1-NE 3.14Å; E1014-R1049 PolarHBondContact OE1-NE 2.87Å |
| 1015 | K | 86.3 | Confident | 87.6 | Confident | 179 Ų | 179 | 38 Ų | 38 | 78% | 0.778 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -63.6 | -51.8 | 178.2 | -67.6 | -176.4 | 179.8 | -179.5 | 0 | 111.8 | N1013 F1017 S1018 D1019 | N1013-K1015 VanDerWaalsContact C-N 3.28Å; N1013-K1015 PolarHBondContact O-N 3.4Å; K1015-F1017 VanDerWaalsContact C-N 3.31Å; K1015-F1017 PolarHBondContact O-N 3.15Å; K1015-S1018 WeakPolarHBondContact O-CB 3.09Å; K1015-S1018 PolarHBondContact O-N 2.95Å; K1015-S1018 VanDerWaalsContact O-N 3.12Å; K1015-D1019 PolarHBondContact O-N 3.48Å |
| 1016 | Y | 87.6 | Confident | 87.2 | Confident | 68 Ų | 68 | 43.1 Ų | 43.1 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.4 | -35.5 | 179.5 | -178.5 | -97.4 | 0 | 0 | 0 | 111.9 | Q981 L984 N1013 S1018 D1019 L1020 | Q981-Y1016 HydrophobicContact CB-CD1 3.87Å; Q981-Y1016 HydrophobicContact CB-CD2 4.28Å; Q981-Y1016 HydrophobicContact CB-CE1 3.64Å; Q981-Y1016 HydrophobicContact CB-CE2 4.07Å; Q981-Y1016 HydrophobicContact CB-CG 4.18Å; Q981-Y1016 HydrophobicContact CG-CD1 3.77Å; Q981-Y1016 HydrophobicContact CG-CD2 3.92Å; Q981-Y1016 HydrophobicContact CG-CE1 4.07Å; Q981-Y1016 HydrophobicContact CG-CE2 4.21Å; Q981-Y1016 HydrophobicContact CG-CG 3.68Å; Q981-Y1016 WeakPolarHBondContact O-CE1 3.29Å; L984-Y1016 HydrophobicContact CD2-CD1 3.96Å; N1013-Y1016 PolarHBondContact O-N 2.94Å; Y1016-S1018 VanDerWaalsContact C-N 3.34Å; Y1016-S1018 PolarHBondContact O-N 3.43Å; Y1016-D1019 PolarHBondContact O-N 3.04Å; Y1016-L1020 HydrophobicContact CE1-CD2 4.42Å; Y1016-L1020 VanDerWaalsContact O-CB 3.3Å; Y1016-L1020 WeakPolarHBondContact O-CB 3.4Å; Y1016-L1020 PolarHBondContact O-N 2.96Å |
| 1017 | F | 89.1 | Confident | 86.6 | Confident | 15 Ų | 15 | 47 Ų | 47 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 172.3 | 177.8 | -109.6 | 0 | 0 | 0 | 112 | L984 L988 I1010 N1013 E1014 K1015 L1020 R1021 F1040 L1043 M1044 | L984-F1017 HydrophobicContact CD2-CB 4.2Å; L988-F1017 HydrophobicContact CD2-CE2 4.28Å; I1010-F1017 HydrophobicContact CD1-CD2 4.15Å; I1010-F1017 HydrophobicContact CD1-CE2 3.79Å; I1010-F1017 HydrophobicContact CD1-CZ 3.98Å; I1010-F1017 HydrophobicContact CG1-CD2 3.76Å; I1010-F1017 HydrophobicContact CG1-CE2 3.95Å; I1010-F1017 HydrophobicContact CG1-CG 4.06Å; I1010-F1017 HydrophobicContact CG1-CZ 4.41Å; I1010-F1017 HydrophobicContact CG2-CB 4.39Å; I1010-F1017 HydrophobicContact CG2-CD1 3.78Å; I1010-F1017 HydrophobicContact CG2-CD2 4.48Å; I1010-F1017 HydrophobicContact CG2-CE1 4.14Å; I1010-F1017 HydrophobicContact CG2-CG 3.95Å; N1013-F1017 PolarHBondContact O-N 2.86Å; E1014-F1017 PolarHBondContact O-N 2.88Å; K1015-F1017 VanDerWaalsContact C-N 3.31Å; K1015-F1017 PolarHBondContact O-N 3.15Å; F1017-L1020 PolarHBondContact O-N 3.46Å; F1017-R1021 VanDerWaalsContact O-CB 3.29Å; F1017-R1021 WeakPolarHBondContact O-CB 3.33Å; F1017-R1021 PolarHBondContact O-N 3.46Å; F1017-F1040 HydrophobicContact CE2-CE1 4.46Å; F1017-F1040 HydrophobicContact CZ-CD1 4.11Å; F1017-F1040 HydrophobicContact CZ-CE1 4.4Å; F1017-L1043 HydrophobicContact CZ-CD2 4.32Å; F1017-M1044 HydrophobicContact CE1-CG 4.3Å |
| 1018 | S | 88.4 | Confident | 85.8 | Confident | 41 Ų | 41 | 48.3 Ų | 48.3 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 174.1 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | E1014 K1015 Y1016 R1021 N1022 | E1014-S1018 PolarHBondContact O-N 2.71Å; K1015-S1018 WeakPolarHBondContact O-CB 3.09Å; K1015-S1018 PolarHBondContact O-N 2.95Å; K1015-S1018 VanDerWaalsContact O-N 3.12Å; Y1016-S1018 VanDerWaalsContact C-N 3.34Å; Y1016-S1018 PolarHBondContact O-N 3.43Å; S1018-R1021 PolarHBondContact O-N 2.7Å; S1018-N1022 WeakPolarHBondContact O-CB 3.43Å; S1018-N1022 PolarHBondContact O-N 2.77Å; S1018-N1022 PolarHBondContact O-ND2 3.25Å; S1018-N1022 PolarHBondContact O-OD1 2.89Å |
| 1019 | D | 88 | Confident | 85.2 | Confident | 100 Ų | 100 | 51.5 Ų | 51.5 | 54% | 0.535 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 177 | -62.2 | -28.3 | 0 | 0 | 0 | 111.6 | K1015 Y1016 N1022 S1023 | K1015-D1019 PolarHBondContact O-N 3.48Å; Y1016-D1019 PolarHBondContact O-N 3.04Å; D1019-N1022 PolarHBondContact O-N 3.34Å; D1019-S1023 WeakPolarHBondContact O-CB 3.28Å; D1019-S1023 PolarHBondContact O-N 2.92Å |
| 1020 | L | 84.2 | Confident | 84.8 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 176.5 | -174.4 | 62.8 | 0 | 0 | 0 | 111.5 | L988 Y1016 F1017 S1023 I1024 | L988-L1020 HydrophobicContact CD2-CD2 3.53Å; L988-L1020 HydrophobicContact CD2-CG 4.07Å; Y1016-L1020 HydrophobicContact CE1-CD2 4.42Å; Y1016-L1020 VanDerWaalsContact O-CB 3.3Å; Y1016-L1020 WeakPolarHBondContact O-CB 3.4Å; Y1016-L1020 PolarHBondContact O-N 2.96Å; F1017-L1020 PolarHBondContact O-N 3.46Å; L1020-S1023 PolarHBondContact O-N 2.68Å; L1020-I1024 HydrophobicContact CD1-CD1 4.27Å; L1020-I1024 HydrophobicContact CG-CD1 4.01Å; L1020-I1024 VanDerWaalsContact O-CG1 3.28Å; L1020-I1024 WeakPolarHBondContact O-CG1 3.2Å; L1020-I1024 PolarHBondContact O-N 3.06Å |
| 1021 | R | 87.8 | Confident | 84.2 | Confident | 62 Ų | 62 | 64.9 Ų | 64.9 | 23% | 0.234 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.2 | -51.9 | 172.6 | 177.7 | -170.4 | 71.5 | 174.8 | 1.3 | 110.6 | F1017 S1018 S1023 I1024 V1025 F1040 | F1017-R1021 VanDerWaalsContact O-CB 3.29Å; F1017-R1021 WeakPolarHBondContact O-CB 3.33Å; F1017-R1021 PolarHBondContact O-N 3.46Å; S1018-R1021 PolarHBondContact O-N 2.7Å; R1021-S1023 VanDerWaalsContact C-N 3.31Å; R1021-S1023 PolarHBondContact O-N 2.92Å; R1021-I1024 PolarHBondContact O-N 2.82Å; R1021-V1025 HydrophobicContact CG-CG2 4.4Å; R1021-V1025 WeakPolarHBondContact O-CB 3.35Å; R1021-V1025 VanDerWaalsContact O-CG2 3.27Å; R1021-V1025 WeakPolarHBondContact O-CG2 3.3Å; R1021-V1025 PolarHBondContact O-N 2.97Å; R1021-F1040 HydrophobicContact CB-CD1 4.46Å; R1021-F1040 HydrophobicContact CG-CB 3.86Å; R1021-F1040 HydrophobicContact CG-CD1 3.98Å; R1021-F1040 HydrophobicContact CG-CD2 3.81Å; R1021-F1040 HydrophobicContact CG-CE1 4.45Å; R1021-F1040 HydrophobicContact CG-CE2 4.3Å; R1021-F1040 HydrophobicContact CG-CG 3.63Å |
| 1022 | N | 86.9 | Confident | 83.6 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 28% | 0.278 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | -178.3 | -64.4 | -16.4 | 0 | 0 | 0 | 111.2 | S1018 D1019 V1025 N1026 | S1018-N1022 WeakPolarHBondContact O-CB 3.43Å; S1018-N1022 PolarHBondContact O-N 2.77Å; S1018-N1022 PolarHBondContact O-ND2 3.25Å; S1018-N1022 PolarHBondContact O-OD1 2.89Å; D1019-N1022 PolarHBondContact O-N 3.34Å; N1022-V1025 PolarHBondContact O-N 3.01Å; N1022-N1026 VanDerWaalsContact O-CB 3.22Å; N1022-N1026 WeakPolarHBondContact O-CB 3.5Å; N1022-N1026 PolarHBondContact O-N 3.48Å; N1022-N1026 PolarHBondContact O-ND2 2.95Å; N1022-N1026 VanDerWaalsContact O-ND2 3.15Å |
| 1023 | S | 85.6 | Confident | 83.4 | Confident | 77 Ų | 77 | 67.5 Ų | 67.5 | 54% | 0.538 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 174.3 | -175.9 | 0 | 0 | 0 | 0 | 112.2 | D1019 L1020 R1021 N1026 S1027 | D1019-S1023 WeakPolarHBondContact O-CB 3.28Å; D1019-S1023 PolarHBondContact O-N 2.92Å; L1020-S1023 PolarHBondContact O-N 2.68Å; R1021-S1023 VanDerWaalsContact C-N 3.31Å; R1021-S1023 PolarHBondContact O-N 2.92Å; S1023-N1026 PolarHBondContact O-N 3.38Å; S1023-S1027 WeakPolarHBondContact O-CB 3.4Å; S1023-S1027 PolarHBondContact O-N 3.36Å |
| 1024 | I | 81.1 | Confident | 83.3 | Confident | 11 Ų | 11 | 74 Ų | 74 | 6% | 0.056 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 178.1 | -68 | 167.8 | 0 | 0 | 0 | 110.6 | L988 I992 L1020 R1021 S1027 F1040 | L988-I1024 HydrophobicContact CD2-CD1 3.84Å; I992-I1024 HydrophobicContact CD1-CD1 4.1Å; L1020-I1024 HydrophobicContact CD1-CD1 4.27Å; L1020-I1024 HydrophobicContact CG-CD1 4.01Å; L1020-I1024 VanDerWaalsContact O-CG1 3.28Å; L1020-I1024 WeakPolarHBondContact O-CG1 3.2Å; L1020-I1024 PolarHBondContact O-N 3.06Å; R1021-I1024 PolarHBondContact O-N 2.82Å; I1024-S1027 PolarHBondContact O-N 2.86Å; I1024-S1027 PolarHBondContact O-OG 3.12Å; I1024-F1040 HydrophobicContact CB-CE2 4.46Å; I1024-F1040 HydrophobicContact CB-CZ 4.46Å; I1024-F1040 HydrophobicContact CD1-CZ 4.15Å; I1024-F1040 HydrophobicContact CG2-CE2 4.05Å; I1024-F1040 HydrophobicContact CG2-CZ 4.2Å |
| 1025 | V | 82.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.006 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63 | -48.5 | 177.4 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | R1021 N1022 S1027 Q1028 Q1033 M1036 H1037 F1040 | R1021-V1025 HydrophobicContact CG-CG2 4.4Å; R1021-V1025 WeakPolarHBondContact O-CB 3.35Å; R1021-V1025 VanDerWaalsContact O-CG2 3.27Å; R1021-V1025 WeakPolarHBondContact O-CG2 3.3Å; R1021-V1025 PolarHBondContact O-N 2.97Å; N1022-V1025 PolarHBondContact O-N 3.01Å; V1025-S1027 PolarHBondContact O-N 3.43Å; V1025-Q1028 WeakPolarHBondContact O-CB 3.44Å; V1025-Q1028 PolarHBondContact O-N 3.03Å; V1025-Q1033 HydrophobicContact CG1-CB 3.88Å; V1025-Q1033 HydrophobicContact CG1-CG 4.22Å; V1025-M1036 HydrophobicContact CG2-CB 4.23Å; V1025-M1036 HydrophobicContact CG2-CG 3.8Å; V1025-H1037 VanDerWaalsContact CG1-CD2 3.5Å; V1025-H1037 WeakPolarHBondContact CG1-CD2 3.2Å; V1025-F1040 HydrophobicContact CG2-CD2 4.22Å; V1025-F1040 HydrophobicContact CG2-CE2 4.44Å |
| 1026 | N | 84.3 | Confident | 82.9 | Confident | 107 Ų | 107 | 63.5 Ų | 63.5 | 57% | 0.572 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.1 | -23.7 | -179.5 | -70 | -20 | 0 | 0 | 0 | 112.7 | N1022 S1023 Q1028 | N1022-N1026 VanDerWaalsContact O-CB 3.22Å; N1022-N1026 WeakPolarHBondContact O-CB 3.5Å; N1022-N1026 PolarHBondContact O-N 3.48Å; N1022-N1026 PolarHBondContact O-ND2 2.95Å; N1022-N1026 VanDerWaalsContact O-ND2 3.15Å; S1023-N1026 PolarHBondContact O-N 3.38Å; N1026-Q1028 PolarHBondContact O-N 3.27Å |
| 1027 | S | 79.5 | Confident | 82.8 | Confident | 81 Ų | 81 | 63.5 Ų | 63.5 | 57% | 0.566 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -10.7 | 173.2 | 78.3 | 0 | 0 | 0 | 0 | 114 | S1023 I1024 V1025 | S1023-S1027 WeakPolarHBondContact O-CB 3.4Å; S1023-S1027 PolarHBondContact O-N 3.36Å; I1024-S1027 PolarHBondContact O-N 2.86Å; I1024-S1027 PolarHBondContact O-OG 3.12Å; V1025-S1027 PolarHBondContact O-N 3.43Å |
| 1028 | Q | 74.8 | Confident | 82.7 | Confident | 27 Ų | 27 | 67.4 Ų | 67.4 | 13% | 0.126 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -89.2 | 153.8 | 176.9 | -59.3 | -55 | -49.1 | 0 | 0 | 112.2 | V1025 N1026 Q1033 M1036 | V1025-Q1028 WeakPolarHBondContact O-CB 3.44Å; V1025-Q1028 PolarHBondContact O-N 3.03Å; N1026-Q1028 PolarHBondContact O-N 3.27Å; Q1028-Q1033 HydrophobicContact CB-CG 4.46Å; Q1028-Q1033 PolarHBondContact O-NE2 3.22Å; Q1028-M1036 HydrophobicContact CG-CE 4.09Å; Q1028-M1036 HydrophobicContact CG-CG 4.3Å |
| 1029 | P | 77.9 | Confident | 82.5 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | trans | -54.8 | 145.4 | 172.9 | -24.1 | 33.5 | 0 | 0 | 0 | 112.2 | E1031 K1032 Q1033 | P1029-E1031 PolarHBondContact O-N 2.94Å; P1029-E1031 VanDerWaalsContact O-N 3.08Å; P1029-K1032 PolarHBondContact O-N 3.4Å; P1029-Q1033 WeakPolarHBondContact O-CG 3.31Å; P1029-Q1033 PolarHBondContact O-N 3.32Å | ||
| 1030 | P | 80.6 | Confident | 82.5 | Confident | 106 Ų | 106 | 61.1 Ų | 61.1 | 69% | 0.688 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -51 | -39.8 | -173.7 | -27.3 | 33.7 | 0 | 0 | 0 | 114.3 | K1032 Q1033 | P1030-K1032 PolarHBondContact O-N 3.4Å; P1030-Q1033 PolarHBondContact O-N 2.82Å |
| 1031 | E | 78.9 | Confident | 82.6 | Confident | 179 Ų | 179 | 65.8 Ų | 65.8 | 84% | 0.836 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.1 | -23.8 | 179.3 | -60.9 | 173.1 | -178.7 | 0 | 0 | 113.5 | P1029 | P1029-E1031 PolarHBondContact O-N 2.94Å; P1029-E1031 VanDerWaalsContact O-N 3.08Å |
| 1032 | K | 74.4 | Confident | 82.7 | Confident | 42 Ų | 42 | 65.1 Ų | 65.1 | 18% | 0.183 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -103.9 | -10 | -177.6 | -62.9 | -169.6 | 177.1 | -169.2 | 0 | 113.5 | P1029 P1030 Q1034 A1035 M1036 S1073 N1076 | P1029-K1032 PolarHBondContact O-N 3.4Å; P1030-K1032 PolarHBondContact O-N 3.4Å; K1032-Q1034 VanDerWaalsContact C-N 3.31Å; K1032-Q1034 PolarHBondContact O-N 3.22Å; K1032-A1035 PolarHBondContact O-N 3.31Å; K1032-M1036 WeakPolarHBondContact O-CB 3.17Å; K1032-M1036 PolarHBondContact O-N 3.38Å; K1032-S1073 PolarHBondContact NZ-O 3.12Å; K1032-N1076 PolarHBondContact NZ-O 3.42Å |
| 1033 | Q | 81.2 | Confident | 82.8 | Confident | 58 Ų | 58 | 62.6 Ų | 62.6 | 27% | 0.271 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | -178.3 | -68.3 | -176.9 | -3.9 | 0 | 0 | 111.8 | V1025 Q1028 P1029 P1030 M1036 H1037 | V1025-Q1033 HydrophobicContact CG1-CB 3.88Å; V1025-Q1033 HydrophobicContact CG1-CG 4.22Å; Q1028-Q1033 HydrophobicContact CB-CG 4.46Å; Q1028-Q1033 PolarHBondContact O-NE2 3.22Å; P1029-Q1033 WeakPolarHBondContact O-CG 3.31Å; P1029-Q1033 PolarHBondContact O-N 3.32Å; P1030-Q1033 PolarHBondContact O-N 2.82Å; Q1033-M1036 PolarHBondContact O-N 2.99Å; Q1033-H1037 WeakPolarHBondContact O-CB 3.27Å; Q1033-H1037 PolarHBondContact O-N 2.98Å |
| 1034 | Q | 84 | Confident | 83.1 | Confident | 167 Ų | 167 | 61.6 Ų | 61.6 | 78% | 0.78 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.1 | -41.1 | 179.1 | -168.3 | 173.1 | 5.5 | 0 | 0 | 112.3 | K1032 H1037 L1038 | K1032-Q1034 VanDerWaalsContact C-N 3.31Å; K1032-Q1034 PolarHBondContact O-N 3.22Å; Q1034-H1037 WeakPolarHBondContact O-CB 3.44Å; Q1034-H1037 PolarHBondContact O-N 3.2Å; Q1034-L1038 PolarHBondContact O-N 3.47Å |
| 1035 | A | 81.8 | Confident | 83.5 | Confident | 49 Ų | 49 | 66.9 Ų | 66.9 | 41% | 0.405 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1032 L1038 C1039 | K1032-A1035 PolarHBondContact O-N 3.31Å; A1035-L1038 PolarHBondContact O-N 3.48Å; A1035-C1039 PolarHBondContact O-N 2.93Å; A1035-C1039 PolarHBondContact O-SG 3.4Å |
| 1036 | M | 82.4 | Confident | 83.6 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.015 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 175.9 | -170.9 | 61.5 | 67.9 | 0 | 0 | 111.6 | V1025 Q1028 K1032 Q1033 L1038 C1039 F1040 V1070 | V1025-M1036 HydrophobicContact CG2-CB 4.23Å; V1025-M1036 HydrophobicContact CG2-CG 3.8Å; Q1028-M1036 HydrophobicContact CG-CE 4.09Å; Q1028-M1036 HydrophobicContact CG-CG 4.3Å; K1032-M1036 WeakPolarHBondContact O-CB 3.17Å; K1032-M1036 PolarHBondContact O-N 3.38Å; Q1033-M1036 PolarHBondContact O-N 2.99Å; M1036-L1038 PolarHBondContact O-N 3.38Å; M1036-C1039 WeakPolarHBondContact O-CB 3.33Å; M1036-C1039 PolarHBondContact O-N 3.45Å; M1036-F1040 HydrophobicContact CG-CD2 4.2Å; M1036-F1040 HydrophobicContact CG-CE2 4.07Å; M1036-F1040 WeakPolarHBondContact O-CD2 3.35Å; M1036-F1040 PolarHBondContact O-N 3.44Å; M1036-F1040 HydrophobicContact SD-CD2 4.32Å; M1036-F1040 HydrophobicContact SD-CE2 3.97Å; M1036-V1070 HydrophobicContact CE-CG1 4.33Å; M1036-V1070 HydrophobicContact CE-CG2 4.45Å; M1036-V1070 HydrophobicContact SD-CG2 4.02Å |
| 1037 | H | 85.8 | Confident | 83.9 | Confident | 68 Ų | 68 | 64.6 Ų | 64.6 | 32% | 0.315 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.9 | -48.5 | 171.9 | -105.2 | -60.9 | 0 | 0 | 0 | 111.7 | V1025 Q1033 Q1034 C1039 F1040 E1041 | V1025-H1037 VanDerWaalsContact CG1-CD2 3.5Å; V1025-H1037 WeakPolarHBondContact CG1-CD2 3.2Å; Q1033-H1037 WeakPolarHBondContact O-CB 3.27Å; Q1033-H1037 PolarHBondContact O-N 2.98Å; Q1034-H1037 WeakPolarHBondContact O-CB 3.44Å; Q1034-H1037 PolarHBondContact O-N 3.2Å; H1037-C1039 VanDerWaalsContact C-N 3.33Å; H1037-C1039 PolarHBondContact O-N 3.21Å; H1037-F1040 PolarHBondContact O-N 3.17Å; H1037-E1041 PolarHBondContact O-N 3.04Å |
| 1038 | L | 85.9 | Confident | 84.3 | Confident | 96 Ų | 96 | 66.7 Ų | 66.7 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 178.9 | -172.9 | 67.8 | 0 | 0 | 0 | 112 | Q1034 A1035 M1036 F1040 E1041 N1042 | Q1034-L1038 PolarHBondContact O-N 3.47Å; A1035-L1038 PolarHBondContact O-N 3.48Å; M1036-L1038 PolarHBondContact O-N 3.38Å; L1038-F1040 VanDerWaalsContact C-N 3.33Å; L1038-F1040 PolarHBondContact O-N 2.94Å; L1038-E1041 PolarHBondContact O-N 3.5Å; L1038-E1041 VanDerWaalsContact O-N 3.16Å; L1038-N1042 VanDerWaalsContact O-CG 3.26Å; L1038-N1042 PolarHBondContact O-N 3.47Å; L1038-N1042 PolarHBondContact O-OD1 3.49Å |
| 1039 | C | 86.1 | Confident | 84.9 | Confident | 8 Ų | 8 | 74.1 Ų | 74.1 | 5% | 0.054 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.1 | -46.4 | 175.7 | -65.1 | 0 | 0 | 0 | 0 | 111.4 | A1035 M1036 H1037 E1041 N1042 L1043 F1066 V1070 | A1035-C1039 PolarHBondContact O-N 2.93Å; A1035-C1039 PolarHBondContact O-SG 3.4Å; M1036-C1039 WeakPolarHBondContact O-CB 3.33Å; M1036-C1039 PolarHBondContact O-N 3.45Å; H1037-C1039 VanDerWaalsContact C-N 3.33Å; H1037-C1039 PolarHBondContact O-N 3.21Å; C1039-E1041 VanDerWaalsContact C-N 3.34Å; C1039-E1041 PolarHBondContact O-N 3.08Å; C1039-N1042 PolarHBondContact O-N 3.01Å; C1039-L1043 PolarHBondContact O-N 3.27Å; C1039-F1066 HydrophobicContact CB-CD2 3.79Å; C1039-F1066 HydrophobicContact CB-CE2 3.85Å; C1039-F1066 VanDerWaalsContact O-CD2 3.29Å; C1039-F1066 WeakPolarHBondContact O-CD2 3.4Å; C1039-V1070 HydrophobicContact CB-CG2 4.2Å |
| 1040 | F | 87.4 | Confident | 85.3 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.009 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.8 | -27.6 | 178.4 | -82.8 | -76.2 | 0 | 0 | 0 | 113.6 | L988 I992 F1017 R1021 I1024 V1025 M1036 H1037 L1038 L1043 F1066 | L988-F1040 HydrophobicContact CD2-CE1 4.37Å; I992-F1040 HydrophobicContact CD1-CZ 3.97Å; F1017-F1040 HydrophobicContact CE2-CE1 4.46Å; F1017-F1040 HydrophobicContact CZ-CD1 4.11Å; F1017-F1040 HydrophobicContact CZ-CE1 4.4Å; R1021-F1040 HydrophobicContact CB-CD1 4.46Å; R1021-F1040 HydrophobicContact CG-CB 3.86Å; R1021-F1040 HydrophobicContact CG-CD1 3.98Å; R1021-F1040 HydrophobicContact CG-CD2 3.81Å; R1021-F1040 HydrophobicContact CG-CE1 4.45Å; R1021-F1040 HydrophobicContact CG-CE2 4.3Å; R1021-F1040 HydrophobicContact CG-CG 3.63Å; I1024-F1040 HydrophobicContact CB-CE2 4.46Å; I1024-F1040 HydrophobicContact CB-CZ 4.46Å; I1024-F1040 HydrophobicContact CD1-CZ 4.15Å; I1024-F1040 HydrophobicContact CG2-CE2 4.05Å; I1024-F1040 HydrophobicContact CG2-CZ 4.2Å; V1025-F1040 HydrophobicContact CG2-CD2 4.22Å; V1025-F1040 HydrophobicContact CG2-CE2 4.44Å; M1036-F1040 HydrophobicContact CG-CD2 4.2Å; M1036-F1040 HydrophobicContact CG-CE2 4.07Å; M1036-F1040 WeakPolarHBondContact O-CD2 3.35Å; M1036-F1040 PolarHBondContact O-N 3.44Å; M1036-F1040 HydrophobicContact SD-CD2 4.32Å; M1036-F1040 HydrophobicContact SD-CE2 3.97Å; H1037-F1040 PolarHBondContact O-N 3.17Å; L1038-F1040 VanDerWaalsContact C-N 3.33Å; L1038-F1040 PolarHBondContact O-N 2.94Å; F1040-L1043 HydrophobicContact CD1-CD2 4.28Å; F1040-F1066 AromaticContact CD1-CE2 3.91Å; F1040-F1066 HydrophobicContact CD1-CE2 3.91Å; F1040-F1066 HydrophobicContact CD1-CZ 4.03Å; F1040-F1066 HydrophobicContact CD2-CE2 4.14Å; F1040-F1066 HydrophobicContact CD2-CZ 4.48Å; F1040-F1066 HydrophobicContact CE1-CE2 4.05Å; F1040-F1066 AromaticContact CE1-CZ 3.69Å; F1040-F1066 HydrophobicContact CE1-CZ 3.69Å; F1040-F1066 HydrophobicContact CE2-CE2 4.27Å; F1040-F1066 HydrophobicContact CE2-CZ 4.17Å; F1040-F1066 AromaticContact CG-CE2 3.96Å; F1040-F1066 HydrophobicContact CG-CE2 3.96Å; F1040-F1066 HydrophobicContact CG-CZ 4.41Å; F1040-F1066 HydrophobicContact CZ-CE2 4.24Å; F1040-F1066 AromaticContact CZ-CZ 3.77Å; F1040-F1066 HydrophobicContact CZ-CZ 3.77Å |
| 1041 | E | 86.9 | Confident | 85.7 | Confident | 119 Ų | 119 | 68.3 Ų | 68.3 | 56% | 0.556 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -69.2 | -47.7 | 170.6 | -70.2 | -162.1 | 147.9 | 0 | 0 | 111.3 | H1037 L1038 C1039 L1043 M1044 E1045 | H1037-E1041 PolarHBondContact O-N 3.04Å; L1038-E1041 PolarHBondContact O-N 3.5Å; L1038-E1041 VanDerWaalsContact O-N 3.16Å; C1039-E1041 VanDerWaalsContact C-N 3.34Å; C1039-E1041 PolarHBondContact O-N 3.08Å; E1041-L1043 PolarHBondContact O-N 3.12Å; E1041-M1044 CarbonylContact O-C 3.57Å; E1041-M1044 PolarHBondContact O-N 3.3Å; E1041-E1045 PolarHBondContact O-N 3.11Å; E1041-E1045 VanDerWaalsContact O-N 3.14Å |
| 1042 | N | 89.3 | Confident | 86.2 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 25% | 0.251 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.6 | -36.3 | 175.8 | -67.7 | -9.8 | 0 | 0 | 0 | 111.8 | L1038 C1039 M1044 E1045 N1062 E1069 | L1038-N1042 VanDerWaalsContact O-CG 3.26Å; L1038-N1042 PolarHBondContact O-N 3.47Å; L1038-N1042 PolarHBondContact O-OD1 3.49Å; C1039-N1042 PolarHBondContact O-N 3.01Å; N1042-M1044 VanDerWaalsContact C-N 3.26Å; N1042-M1044 PolarHBondContact O-N 3.17Å; N1042-E1045 WeakPolarHBondContact O-CB 3.37Å; N1042-E1045 PolarHBondContact O-N 3.24Å; N1042-N1062 PolarHBondContact O-ND2 3.32Å; N1042-E1069 PolarHBondContact ND2-OE2 2.85Å |
| 1043 | L | 89.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.1 | -41.3 | 176.4 | 178.2 | 60.8 | 0 | 0 | 0 | 112.1 | F1017 C1039 F1040 E1041 F1059 N1062 L1063 F1066 | F1017-L1043 HydrophobicContact CZ-CD2 4.32Å; C1039-L1043 PolarHBondContact O-N 3.27Å; F1040-L1043 HydrophobicContact CD1-CD2 4.28Å; E1041-L1043 PolarHBondContact O-N 3.12Å; L1043-F1059 HydrophobicContact CD1-CD2 4.34Å; L1043-F1059 HydrophobicContact CD1-CE2 3.68Å; L1043-F1059 HydrophobicContact CD1-CZ 3.98Å; L1043-F1059 HydrophobicContact CD2-CE2 4.49Å; L1043-F1059 HydrophobicContact CG-CE2 3.9Å; L1043-F1059 HydrophobicContact CG-CZ 4.41Å; L1043-N1062 WeakPolarHBondContact O-CB 3.37Å; L1043-N1062 PolarHBondContact O-ND2 2.75Å; L1043-N1062 VanDerWaalsContact O-ND2 3.15Å; L1043-L1063 HydrophobicContact CD1-CB 4.02Å; L1043-L1063 HydrophobicContact CD1-CD1 3.59Å; L1043-L1063 HydrophobicContact CD1-CG 4.43Å; L1043-F1066 HydrophobicContact CB-CB 4.43Å; L1043-F1066 HydrophobicContact CB-CD2 4.06Å; L1043-F1066 HydrophobicContact CB-CG 4.31Å; L1043-F1066 HydrophobicContact CD1-CB 4.12Å; L1043-F1066 HydrophobicContact CD1-CG 4.26Å; L1043-F1066 HydrophobicContact CD2-CD1 4.47Å; L1043-F1066 HydrophobicContact CD2-CD2 4.42Å; L1043-F1066 HydrophobicContact CD2-CE2 4.47Å; L1043-F1066 HydrophobicContact CD2-CG 4.41Å |
| 1044 | M | 90.9 | Very high | 87.1 | Confident | 56 Ų | 56 | 73.3 Ų | 73.3 | 28% | 0.276 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 5.2 | -177.7 | -63.2 | -60 | -66.6 | 0 | 0 | 113.3 | I1010 F1017 E1041 N1042 G1046 I1047 F1059 | I1010-M1044 HydrophobicContact CD1-SD 4.4Å; I1010-M1044 HydrophobicContact CG2-CE 3.94Å; I1010-M1044 HydrophobicContact CG2-SD 4.2Å; F1017-M1044 HydrophobicContact CE1-CG 4.3Å; E1041-M1044 CarbonylContact O-C 3.57Å; E1041-M1044 PolarHBondContact O-N 3.3Å; N1042-M1044 VanDerWaalsContact C-N 3.26Å; N1042-M1044 PolarHBondContact O-N 3.17Å; M1044-G1046 PolarHBondContact O-N 2.86Å; M1044-I1047 HydrophobicContact CE-CB 4.41Å; M1044-I1047 HydrophobicContact CE-CG2 4.16Å; M1044-I1047 WeakPolarHBondContact O-CB 3.33Å; M1044-I1047 PolarHBondContact O-N 3.08Å; M1044-I1047 VanDerWaalsContact O-N 3.17Å; M1044-F1059 HydrophobicContact SD-CE2 4Å |
| 1045 | E | 89.5 | Confident | 87.5 | Confident | 121 Ų | 121 | 65.8 Ų | 65.8 | 57% | 0.565 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 118.3 | -174.4 | -167.9 | -174.2 | 172.6 | 0 | 0 | 112.3 | E1041 N1042 I1047 R1058 N1062 | E1041-E1045 PolarHBondContact O-N 3.11Å; E1041-E1045 VanDerWaalsContact O-N 3.14Å; N1042-E1045 WeakPolarHBondContact O-CB 3.37Å; N1042-E1045 PolarHBondContact O-N 3.24Å; E1045-I1047 PolarHBondContact O-N 3.49Å; E1045-R1058 PolarHBondContact O-NE 3.19Å; E1045-N1062 PolarHBondContact O-ND2 3.38Å |
| 1046 | G | 84.9 | Confident | 87.8 | Confident | 36 Ų | 36 | 64.7 Ų | 64.7 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 25.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1044 R1058 | M1044-G1046 PolarHBondContact O-N 2.86Å; G1046-R1058 VanDerWaalsContact CA-CZ 3.46Å; G1046-R1058 WeakPolarHBondContact O-CD 3.47Å; G1046-R1058 VanDerWaalsContact O-CZ 3.3Å; G1046-R1058 PolarHBondContact O-NE 3.46Å; G1046-R1058 PolarHBondContact O-NH1 2.95Å |
| 1047 | I | 90.5 | Very high | 88.1 | Confident | 25 Ų | 25 | 67 Ų | 67 | 13% | 0.128 | 33% | 0.329 | C | S | . | . | trans | -85.4 | 122.4 | 169.3 | -59 | -54.9 | 0 | 0 | 0 | 109.5 | L1007 M1044 E1045 N1055 R1058 F1059 | L1007-I1047 HydrophobicContact CD1-CG2 3.63Å; M1044-I1047 HydrophobicContact CE-CB 4.41Å; M1044-I1047 HydrophobicContact CE-CG2 4.16Å; M1044-I1047 WeakPolarHBondContact O-CB 3.33Å; M1044-I1047 PolarHBondContact O-N 3.08Å; M1044-I1047 VanDerWaalsContact O-N 3.17Å; E1045-I1047 PolarHBondContact O-N 3.49Å; I1047-N1055 WeakPolarHBondContact CA-OD1 3.47Å; I1047-R1058 HydrophobicContact CD1-CB 4.17Å; I1047-R1058 HydrophobicContact CD1-CG 4.01Å; I1047-F1059 HydrophobicContact CD1-CB 3.75Å; I1047-F1059 HydrophobicContact CD1-CD2 4.32Å; I1047-F1059 HydrophobicContact CG1-CD2 4.21Å | ||
| 1048 | E | 87.8 | Confident | 88.4 | Confident | 125 Ų | 125 | 69.1 Ų | 69.1 | 58% | 0.584 | 33% | 0.334 | S | S | * | . | trans | -87.7 | 161.9 | 177.1 | -65.9 | 178.1 | 177.9 | 0 | 0 | 111.5 | N1050 N1055 | E1048-N1050 VanDerWaalsContact CB-ND2 3.3Å; E1048-N1050 WeakPolarHBondContact CB-ND2 3.37Å; E1048-N1050 PolarHBondContact O-N 3.1Å; E1048-N1050 PolarHBondContact OE2-ND2 3.01Å; E1048-N1055 PolarHBondContact N-ND2 3.21Å; E1048-N1055 PolarHBondContact N-OD1 3.41Å; E1048-N1055 VanDerWaalsContact N-OD1 3.08Å; E1048-N1055 PolarHBondContact O-ND2 2.98Å | ||
| 1049 | R | 86.9 | Confident | 88.7 | Confident | 182 Ų | 182 | 64.5 Ų | 64.5 | 69% | 0.687 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -78.6 | 60.3 | 175.4 | -163 | 177.1 | -174.1 | -148.5 | -6.4 | 112 | F948 L1011 E1014 | F948-R1049 HydrophobicContact CE2-CG 4.47Å; F948-R1049 HydrophobicContact CZ-CG 4.34Å; L1011-R1049 HydrophobicContact CD2-CG 4.37Å; E1014-R1049 IonicContact OE1-CZ 3.92Å; E1014-R1049 IonicContact OE1-NE 3.14Å; E1014-R1049 PolarHBondContact OE1-NE 2.87Å |
| 1050 | N | 87.6 | Confident | 88.8 | Confident | 30 Ų | 30 | 64.2 Ų | 64.2 | 16% | 0.16 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -151.4 | 162.9 | 174.7 | 66.6 | 67.1 | 0 | 0 | 0 | 111.6 | E1048 L1052 N1055 | E1048-N1050 VanDerWaalsContact CB-ND2 3.3Å; E1048-N1050 WeakPolarHBondContact CB-ND2 3.37Å; E1048-N1050 PolarHBondContact O-N 3.1Å; E1048-N1050 PolarHBondContact OE2-ND2 3.01Å; N1050-L1052 HydrophobicContact CB-CG 4.38Å; N1050-L1052 WeakPolarHBondContact OD1-CB 3.48Å; N1050-L1052 WeakPolarHBondContact OD1-CG 3.49Å; N1050-L1052 PolarHBondContact OD1-N 3.18Å; N1050-N1055 PolarHBondContact O-ND2 3.3Å; N1050-N1055 WeakPolarHBondContact OD1-CB 3.47Å |
| 1051 | L | 88.4 | Confident | 88.9 | Confident | 21 Ų | 21 | 70.6 Ų | 70.6 | 11% | 0.11 | 34% | 0.338 | C | S | . | . | trans | -109.2 | 35.3 | 179.2 | -65.3 | 176.5 | 0 | 0 | 0 | 112.3 | T945 F948 L1007 L1011 | T945-L1051 HydrophobicContact CG2-CD1 4.5Å; F948-L1051 HydrophobicContact CB-CD1 3.67Å; F948-L1051 HydrophobicContact CD1-CD1 3.86Å; F948-L1051 HydrophobicContact CD1-CG 4.06Å; F948-L1051 HydrophobicContact CD2-CD1 4.45Å; F948-L1051 HydrophobicContact CE1-CG 4.42Å; F948-L1051 HydrophobicContact CG-CD1 3.73Å; F948-L1051 HydrophobicContact CG-CG 4.25Å; L1007-L1051 HydrophobicContact CD2-CD2 4.17Å; L1007-L1051 HydrophobicContact CG-CD2 4.05Å; L1011-L1051 HydrophobicContact CD1-CD2 3.85Å; L1011-L1051 HydrophobicContact CD1-CG 4.35Å | ||
| 1052 | L | 88.3 | Confident | 89.1 | Confident | 114 Ų | 114 | 66.2 Ų | 66.2 | 60% | 0.597 | 32% | 0.319 | S | S | * | . | trans | -70.8 | 150.4 | 175 | -62.8 | 175.5 | 0 | 0 | 0 | 110.5 | N1050 K1054 N1055 R1056 | N1050-L1052 HydrophobicContact CB-CG 4.38Å; N1050-L1052 WeakPolarHBondContact OD1-CB 3.48Å; N1050-L1052 WeakPolarHBondContact OD1-CG 3.49Å; N1050-L1052 PolarHBondContact OD1-N 3.18Å; L1052-K1054 VanDerWaalsContact C-N 3.29Å; L1052-K1054 PolarHBondContact O-N 3.06Å; L1052-N1055 WeakPolarHBondContact O-CB 3.46Å; L1052-N1055 PolarHBondContact O-N 3.39Å; L1052-R1056 PolarHBondContact O-N 3.32Å | ||
| 1053 | T | 87.2 | Confident | 89.1 | Confident | 85 Ų | 85 | 64 Ų | 64 | 52% | 0.521 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -54.1 | -44.9 | -178.1 | -44.9 | 0 | 0 | 0 | 0 | 112.2 | N1055 R1056 D1057 | T1053-N1055 VanDerWaalsContact C-N 3.29Å; T1053-N1055 PolarHBondContact O-N 3.29Å; T1053-R1056 WeakPolarHBondContact O-CB 3.45Å; T1053-R1056 PolarHBondContact O-N 3.44Å; T1053-R1056 VanDerWaalsContact O-N 3.17Å; T1053-D1057 PolarHBondContact O-N 3.49Å |
| 1054 | K | 88.8 | Confident | 88.9 | Confident | 185 Ų | 185 | 65.8 Ų | 65.8 | 80% | 0.804 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -56.4 | -41.1 | 176.7 | -68.2 | -173.9 | 176.9 | -176.2 | 0 | 113 | L1052 R1058 | L1052-K1054 VanDerWaalsContact C-N 3.29Å; L1052-K1054 PolarHBondContact O-N 3.06Å; K1054-R1058 PolarHBondContact O-N 2.97Å; K1054-R1058 VanDerWaalsContact O-N 3.11Å |
| 1055 | N | 90.8 | Very high | 88.6 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 5% | 0.053 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -72.6 | -38 | -179.5 | -162.4 | 39.3 | 0 | 0 | 0 | 111.4 | I1047 E1048 N1050 L1052 T1053 R1058 F1059 | I1047-N1055 WeakPolarHBondContact CA-OD1 3.47Å; E1048-N1055 PolarHBondContact N-ND2 3.21Å; E1048-N1055 PolarHBondContact N-OD1 3.41Å; E1048-N1055 VanDerWaalsContact N-OD1 3.08Å; E1048-N1055 PolarHBondContact O-ND2 2.98Å; N1050-N1055 PolarHBondContact O-ND2 3.3Å; N1050-N1055 WeakPolarHBondContact OD1-CB 3.47Å; L1052-N1055 WeakPolarHBondContact O-CB 3.46Å; L1052-N1055 PolarHBondContact O-N 3.39Å; T1053-N1055 VanDerWaalsContact C-N 3.29Å; T1053-N1055 PolarHBondContact O-N 3.29Å; N1055-R1058 PolarHBondContact O-N 3.01Å; N1055-F1059 PolarHBondContact O-N 3.45Å |
| 1056 | R | 89.6 | Confident | 88.5 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 10% | 0.098 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 173.2 | -74.5 | 175.2 | 166.6 | 172.7 | -4.5 | 112.8 | D941 T945 L1007 L1052 T1053 F1059 T1060 | D941-R1056 IonicContact OD1-CZ 3.01Å; D941-R1056 VanDerWaalsContact OD1-CZ 3.27Å; D941-R1056 IonicContact OD1-NE 3.57Å; D941-R1056 IonicContact OD1-NH1 2.65Å; D941-R1056 IonicContact OD1-NH2 3.82Å; D941-R1056 PolarHBondContact OD1-NH2 3.25Å; D941-R1056 IonicContact OD2-CZ 3.26Å; D941-R1056 VanDerWaalsContact OD2-CZ 3.31Å; D941-R1056 IonicContact OD2-NH1 3.92Å; D941-R1056 PolarHBondContact OD2-NH1 2.97Å; D941-R1056 VanDerWaalsContact OD2-NH1 3.14Å; D941-R1056 IonicContact OD2-NH2 3.92Å; D941-R1056 PolarHBondContact OD2-NH2 2.87Å; T945-R1056 PolarHBondContact OG1-NH2 3.28Å; L1007-R1056 HydrophobicContact CD2-CG 3.91Å; L1052-R1056 PolarHBondContact O-N 3.32Å; T1053-R1056 WeakPolarHBondContact O-CB 3.45Å; T1053-R1056 PolarHBondContact O-N 3.44Å; T1053-R1056 VanDerWaalsContact O-N 3.17Å; R1056-F1059 PolarHBondContact O-N 3.46Å; R1056-T1060 WeakPolarHBondContact O-CB 3.1Å; R1056-T1060 PolarHBondContact O-N 3.3Å; R1056-T1060 PolarHBondContact O-OG1 2.89Å |
| 1057 | D | 88.8 | Confident | 88.4 | Confident | 51 Ų | 51 | 58.7 Ų | 58.7 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 178.7 | -63.7 | -22.9 | 0 | 0 | 0 | 110.3 | T1053 T1060 Q1061 | T1053-D1057 PolarHBondContact O-N 3.49Å; D1057-T1060 PolarHBondContact O-N 3.09Å; D1057-Q1061 WeakPolarHBondContact O-CG 3.45Å; D1057-Q1061 PolarHBondContact O-N 3.29Å; D1057-Q1061 VanDerWaalsContact O-N 3.07Å |
| 1058 | R | 90.6 | Very high | 87.8 | Confident | 112 Ų | 112 | 65.3 Ų | 65.3 | 42% | 0.423 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 172.7 | -172.2 | 177.6 | -175.7 | 163.5 | 10 | 112 | E1045 G1046 I1047 K1054 N1055 T1060 Q1061 N1062 | E1045-R1058 PolarHBondContact O-NE 3.19Å; G1046-R1058 VanDerWaalsContact CA-CZ 3.46Å; G1046-R1058 WeakPolarHBondContact O-CD 3.47Å; G1046-R1058 VanDerWaalsContact O-CZ 3.3Å; G1046-R1058 PolarHBondContact O-NE 3.46Å; G1046-R1058 PolarHBondContact O-NH1 2.95Å; I1047-R1058 HydrophobicContact CD1-CB 4.17Å; I1047-R1058 HydrophobicContact CD1-CG 4.01Å; K1054-R1058 PolarHBondContact O-N 2.97Å; K1054-R1058 VanDerWaalsContact O-N 3.11Å; N1055-R1058 PolarHBondContact O-N 3.01Å; R1058-T1060 VanDerWaalsContact C-N 3.26Å; R1058-T1060 PolarHBondContact O-N 3.4Å; R1058-Q1061 WeakPolarHBondContact O-CB 3.33Å; R1058-Q1061 PolarHBondContact O-N 3.21Å; R1058-Q1061 VanDerWaalsContact O-N 3.16Å; R1058-N1062 PolarHBondContact O-N 3.47Å; R1058-N1062 PolarHBondContact O-OD1 3.15Å |
| 1059 | F | 92.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.8 | -39.3 | 176.2 | -178.4 | -102.4 | 0 | 0 | 0 | 112.2 | S1003 L1006 L1007 I1010 L1043 M1044 I1047 N1055 R1056 Q1061 N1062 L1063 | S1003-F1059 WeakPolarHBondContact O-CD1 3.47Å; S1003-F1059 VanDerWaalsContact O-CE1 3.31Å; S1003-F1059 WeakPolarHBondContact O-CE1 3.34Å; L1006-F1059 HydrophobicContact CB-CE1 4.2Å; L1006-F1059 HydrophobicContact CD2-CE1 4.08Å; L1006-F1059 HydrophobicContact CD2-CZ 3.96Å; L1006-F1059 HydrophobicContact CG-CE1 4.1Å; L1006-F1059 HydrophobicContact CG-CZ 4.01Å; L1007-F1059 HydrophobicContact CB-CD1 3.72Å; L1007-F1059 HydrophobicContact CB-CE1 3.97Å; L1007-F1059 HydrophobicContact CB-CG 4.02Å; L1007-F1059 HydrophobicContact CB-CZ 4.47Å; L1007-F1059 HydrophobicContact CD1-CB 4.41Å; L1007-F1059 HydrophobicContact CD1-CD2 3.94Å; L1007-F1059 HydrophobicContact CD1-CE2 4.33Å; L1007-F1059 HydrophobicContact CD1-CG 4.06Å; L1007-F1059 HydrophobicContact CD2-CB 4.03Å; L1007-F1059 HydrophobicContact CD2-CG 4.34Å; L1007-F1059 HydrophobicContact CG-CG 4.35Å; I1010-F1059 HydrophobicContact CD1-CE2 4.13Å; I1010-F1059 HydrophobicContact CD1-CZ 3.83Å; L1043-F1059 HydrophobicContact CD1-CD2 4.34Å; L1043-F1059 HydrophobicContact CD1-CE2 3.68Å; L1043-F1059 HydrophobicContact CD1-CZ 3.98Å; L1043-F1059 HydrophobicContact CD2-CE2 4.49Å; L1043-F1059 HydrophobicContact CG-CE2 3.9Å; L1043-F1059 HydrophobicContact CG-CZ 4.41Å; M1044-F1059 HydrophobicContact SD-CE2 4Å; I1047-F1059 HydrophobicContact CD1-CB 3.75Å; I1047-F1059 HydrophobicContact CD1-CD2 4.32Å; I1047-F1059 HydrophobicContact CG1-CD2 4.21Å; N1055-F1059 PolarHBondContact O-N 3.45Å; R1056-F1059 PolarHBondContact O-N 3.46Å; F1059-Q1061 VanDerWaalsContact C-N 3.32Å; F1059-Q1061 PolarHBondContact O-N 3.29Å; F1059-N1062 PolarHBondContact O-N 3.13Å; F1059-L1063 HydrophobicContact CE1-CD2 4.22Å; F1059-L1063 HydrophobicContact CZ-CD1 4.43Å; F1059-L1063 VanDerWaalsContact O-CB 3.28Å; F1059-L1063 WeakPolarHBondContact O-CB 3.49Å; F1059-L1063 PolarHBondContact O-N 2.92Å |
| 1060 | T | 89.5 | Confident | 87.1 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 178.6 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | W1000 S1003 R1056 D1057 R1058 S1064 | W1000-T1060 HydrophobicContact CD2-CG2 4.03Å; W1000-T1060 HydrophobicContact CE3-CG2 3.41Å; W1000-T1060 VanDerWaalsContact CE3-CG2 3.41Å; W1000-T1060 HydrophobicContact CH2-CG2 4.34Å; W1000-T1060 HydrophobicContact CZ3-CG2 3.59Å; S1003-T1060 WeakPolarHBondContact CB-OG1 3.42Å; S1003-T1060 WeakPolarHBondContact OG-CG2 3.39Å; S1003-T1060 PolarHBondContact OG-OG1 3.5Å; R1056-T1060 WeakPolarHBondContact O-CB 3.1Å; R1056-T1060 PolarHBondContact O-N 3.3Å; R1056-T1060 PolarHBondContact O-OG1 2.89Å; D1057-T1060 PolarHBondContact O-N 3.09Å; R1058-T1060 VanDerWaalsContact C-N 3.26Å; R1058-T1060 PolarHBondContact O-N 3.4Å; T1060-S1064 PolarHBondContact O-N 3.22Å; T1060-S1064 PolarHBondContact O-OG 2.97Å |
| 1061 | Q | 88.2 | Confident | 86.2 | Confident | 135 Ų | 135 | 55.6 Ų | 55.6 | 63% | 0.631 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -65.6 | -48.8 | 172.4 | -67.8 | 173.2 | 7.9 | 0 | 0 | 111.2 | D1057 R1058 F1059 L1063 S1064 A1065 | D1057-Q1061 WeakPolarHBondContact O-CG 3.45Å; D1057-Q1061 PolarHBondContact O-N 3.29Å; D1057-Q1061 VanDerWaalsContact O-N 3.07Å; R1058-Q1061 WeakPolarHBondContact O-CB 3.33Å; R1058-Q1061 PolarHBondContact O-N 3.21Å; R1058-Q1061 VanDerWaalsContact O-N 3.16Å; F1059-Q1061 VanDerWaalsContact C-N 3.32Å; F1059-Q1061 PolarHBondContact O-N 3.29Å; Q1061-L1063 VanDerWaalsContact C-N 3.3Å; Q1061-L1063 PolarHBondContact O-N 3.48Å; Q1061-S1064 WeakPolarHBondContact O-CB 3.26Å; Q1061-S1064 PolarHBondContact O-N 2.97Å; Q1061-A1065 PolarHBondContact O-N 3.34Å; Q1061-A1065 VanDerWaalsContact O-N 3.14Å |
| 1062 | N | 91.3 | Very high | 85.3 | Confident | 27 Ų | 27 | 58.6 Ų | 58.6 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 177.1 | -67.1 | 4.1 | 0 | 0 | 0 | 111.4 | N1042 L1043 E1045 R1058 F1059 S1064 A1065 F1066 | N1042-N1062 PolarHBondContact O-ND2 3.32Å; L1043-N1062 WeakPolarHBondContact O-CB 3.37Å; L1043-N1062 PolarHBondContact O-ND2 2.75Å; L1043-N1062 VanDerWaalsContact O-ND2 3.15Å; E1045-N1062 PolarHBondContact O-ND2 3.38Å; R1058-N1062 PolarHBondContact O-N 3.47Å; R1058-N1062 PolarHBondContact O-OD1 3.15Å; F1059-N1062 PolarHBondContact O-N 3.13Å; N1062-S1064 VanDerWaalsContact C-N 3.25Å; N1062-S1064 PolarHBondContact O-N 3.08Å; N1062-A1065 WeakPolarHBondContact O-CB 3.5Å; N1062-A1065 PolarHBondContact O-N 3.36Å; N1062-A1065 VanDerWaalsContact O-N 3.13Å; N1062-F1066 WeakPolarHBondContact O-CB 3.46Å; N1062-F1066 PolarHBondContact O-N 2.97Å |
| 1063 | L | 89.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -32.4 | 177.6 | -168.2 | 68.7 | 0 | 0 | 0 | 112.7 | I991 S1003 L1006 L1043 F1059 Q1061 F1066 R1067 | I991-L1063 HydrophobicContact CD1-CD1 4.35Å; I991-L1063 HydrophobicContact CD1-CD2 3.89Å; I991-L1063 HydrophobicContact CG2-CD1 4.09Å; I991-L1063 HydrophobicContact CG2-CG 4.37Å; S1003-L1063 VanDerWaalsContact CB-CD2 3.41Å; L1006-L1063 HydrophobicContact CD2-CD1 3.96Å; L1006-L1063 HydrophobicContact CD2-CD2 4.34Å; L1043-L1063 HydrophobicContact CD1-CB 4.02Å; L1043-L1063 HydrophobicContact CD1-CD1 3.59Å; L1043-L1063 HydrophobicContact CD1-CG 4.43Å; F1059-L1063 HydrophobicContact CE1-CD2 4.22Å; F1059-L1063 HydrophobicContact CZ-CD1 4.43Å; F1059-L1063 VanDerWaalsContact O-CB 3.28Å; F1059-L1063 WeakPolarHBondContact O-CB 3.49Å; F1059-L1063 PolarHBondContact O-N 2.92Å; Q1061-L1063 VanDerWaalsContact C-N 3.3Å; Q1061-L1063 PolarHBondContact O-N 3.48Å; L1063-F1066 HydrophobicContact CD1-CD1 4.2Å; L1063-R1067 WeakPolarHBondContact O-CB 3.45Å; L1063-R1067 PolarHBondContact O-N 3.31Å |
| 1064 | S | 85.3 | Confident | 82.8 | Confident | 38 Ų | 38 | 53.7 Ų | 53.7 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -71.5 | -35.4 | 175.3 | -53.8 | 0 | 0 | 0 | 0 | 112.5 | Q999 T1060 Q1061 N1062 R1068 | Q999-S1064 PolarHBondContact NE2-OG 3.39Å; T1060-S1064 PolarHBondContact O-N 3.22Å; T1060-S1064 PolarHBondContact O-OG 2.97Å; Q1061-S1064 WeakPolarHBondContact O-CB 3.26Å; Q1061-S1064 PolarHBondContact O-N 2.97Å; N1062-S1064 VanDerWaalsContact C-N 3.25Å; N1062-S1064 PolarHBondContact O-N 3.08Å; S1064-R1068 WeakPolarHBondContact O-CG 3.49Å; S1064-R1068 PolarHBondContact O-NE 3.08Å; S1064-R1068 VanDerWaalsContact O-NE 3.16Å |
| 1065 | A | 85.6 | Confident | 80.9 | Confident | 24 Ų | 24 | 52 Ų | 52 | 20% | 0.198 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.2 | -51 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q1061 N1062 R1067 R1068 E1069 | Q1061-A1065 PolarHBondContact O-N 3.34Å; Q1061-A1065 VanDerWaalsContact O-N 3.14Å; N1062-A1065 WeakPolarHBondContact O-CB 3.5Å; N1062-A1065 PolarHBondContact O-N 3.36Å; N1062-A1065 VanDerWaalsContact O-N 3.13Å; A1065-R1067 VanDerWaalsContact C-N 3.34Å; A1065-R1067 PolarHBondContact O-N 3.06Å; A1065-R1068 WeakPolarHBondContact O-CB 3.45Å; A1065-R1068 PolarHBondContact O-N 3.43Å; A1065-E1069 WeakPolarHBondContact O-CG 3.41Å; A1065-E1069 PolarHBondContact O-N 3.42Å |
| 1066 | F | 87.5 | Confident | 78.5 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -48.7 | -50.9 | 177 | 174.2 | -102.7 | 0 | 0 | 0 | 112.4 | I992 C1039 F1040 L1043 N1062 L1063 R1068 E1069 V1070 | I992-F1066 HydrophobicContact CD1-CE1 4.11Å; I992-F1066 HydrophobicContact CD1-CZ 4.03Å; I992-F1066 HydrophobicContact CG1-CE1 3.81Å; I992-F1066 HydrophobicContact CG1-CZ 4.19Å; C1039-F1066 HydrophobicContact CB-CD2 3.79Å; C1039-F1066 HydrophobicContact CB-CE2 3.85Å; C1039-F1066 VanDerWaalsContact O-CD2 3.29Å; C1039-F1066 WeakPolarHBondContact O-CD2 3.4Å; F1040-F1066 AromaticContact CD1-CE2 3.91Å; F1040-F1066 HydrophobicContact CD1-CE2 3.91Å; F1040-F1066 HydrophobicContact CD1-CZ 4.03Å; F1040-F1066 HydrophobicContact CD2-CE2 4.14Å; F1040-F1066 HydrophobicContact CD2-CZ 4.48Å; F1040-F1066 HydrophobicContact CE1-CE2 4.05Å; F1040-F1066 AromaticContact CE1-CZ 3.69Å; F1040-F1066 HydrophobicContact CE1-CZ 3.69Å; F1040-F1066 HydrophobicContact CE2-CE2 4.27Å; F1040-F1066 HydrophobicContact CE2-CZ 4.17Å; F1040-F1066 AromaticContact CG-CE2 3.96Å; F1040-F1066 HydrophobicContact CG-CE2 3.96Å; F1040-F1066 HydrophobicContact CG-CZ 4.41Å; F1040-F1066 HydrophobicContact CZ-CE2 4.24Å; F1040-F1066 AromaticContact CZ-CZ 3.77Å; F1040-F1066 HydrophobicContact CZ-CZ 3.77Å; L1043-F1066 HydrophobicContact CB-CB 4.43Å; L1043-F1066 HydrophobicContact CB-CD2 4.06Å; L1043-F1066 HydrophobicContact CB-CG 4.31Å; L1043-F1066 HydrophobicContact CD1-CB 4.12Å; L1043-F1066 HydrophobicContact CD1-CG 4.26Å; L1043-F1066 HydrophobicContact CD2-CD1 4.47Å; L1043-F1066 HydrophobicContact CD2-CD2 4.42Å; L1043-F1066 HydrophobicContact CD2-CE2 4.47Å; L1043-F1066 HydrophobicContact CD2-CG 4.41Å; N1062-F1066 WeakPolarHBondContact O-CB 3.46Å; N1062-F1066 PolarHBondContact O-N 2.97Å; L1063-F1066 HydrophobicContact CD1-CD1 4.2Å; F1066-R1068 PolarHBondContact O-N 2.96Å; F1066-E1069 PolarHBondContact O-N 3.23Å; F1066-V1070 HydrophobicContact CD1-CG2 4.36Å; F1066-V1070 HydrophobicContact CD2-CG2 3.99Å; F1066-V1070 HydrophobicContact CE1-CG2 4.07Å; F1066-V1070 HydrophobicContact CE2-CG2 3.68Å; F1066-V1070 HydrophobicContact CG-CG2 4.33Å; F1066-V1070 HydrophobicContact CZ-CG2 3.73Å; F1066-V1070 VanDerWaalsContact O-CB 3.3Å; F1066-V1070 WeakPolarHBondContact O-CB 3.44Å; F1066-V1070 WeakPolarHBondContact O-CG2 3.23Å; F1066-V1070 PolarHBondContact O-N 3.49Å |
| 1067 | R | 81.1 | Confident | 76 | Confident | 38 Ų | 38 | 60.3 Ų | 60.3 | 14% | 0.143 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.7 | -38.6 | -179.8 | -173.7 | 179.4 | 178.2 | -151.5 | -2.3 | 112.8 | E994 C996 L1063 A1065 N1071 | E994-R1067 PolarHBondContact O-NH2 3.48Å; C996-R1067 PolarHBondContact O-NH1 3.21Å; L1063-R1067 WeakPolarHBondContact O-CB 3.45Å; L1063-R1067 PolarHBondContact O-N 3.31Å; A1065-R1067 VanDerWaalsContact C-N 3.34Å; A1065-R1067 PolarHBondContact O-N 3.06Å; R1067-N1071 VanDerWaalsContact O-CB 3.26Å; R1067-N1071 WeakPolarHBondContact O-CB 3.31Å; R1067-N1071 PolarHBondContact O-N 2.93Å; R1067-N1071 PolarHBondContact O-ND2 3.48Å |
| 1068 | R | 79.8 | Confident | 73.5 | Confident | 165 Ų | 165 | 63.4 Ų | 63.4 | 62% | 0.623 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.8 | -49.6 | 176.6 | -74.6 | -177.5 | -68.3 | 171.6 | 3.8 | 110.5 | S1064 A1065 F1066 V1070 N1071 D1072 | S1064-R1068 WeakPolarHBondContact O-CG 3.49Å; S1064-R1068 PolarHBondContact O-NE 3.08Å; S1064-R1068 VanDerWaalsContact O-NE 3.16Å; A1065-R1068 WeakPolarHBondContact O-CB 3.45Å; A1065-R1068 PolarHBondContact O-N 3.43Å; F1066-R1068 PolarHBondContact O-N 2.96Å; R1068-V1070 PolarHBondContact O-N 3.15Å; R1068-N1071 PolarHBondContact O-N 2.96Å; R1068-D1072 WeakPolarHBondContact O-CB 3.44Å; R1068-D1072 VanDerWaalsContact O-CG 3.23Å; R1068-D1072 PolarHBondContact O-N 2.94Å |
| 1069 | E | 81.9 | Confident | 70.6 | Confident | 73 Ų | 73 | 69.3 Ų | 69.3 | 34% | 0.341 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 179.6 | -69.4 | 171 | -165.4 | 0 | 0 | 112 | N1042 A1065 F1066 D1072 S1073 | N1042-E1069 PolarHBondContact ND2-OE2 2.85Å; A1065-E1069 WeakPolarHBondContact O-CG 3.41Å; A1065-E1069 PolarHBondContact O-N 3.42Å; F1066-E1069 PolarHBondContact O-N 3.23Å; E1069-D1072 PolarHBondContact O-N 3.26Å; E1069-S1073 WeakPolarHBondContact O-CB 3.39Å; E1069-S1073 PolarHBondContact O-N 3.14Å; E1069-S1073 PolarHBondContact O-OG 3.13Å |
| 1070 | V | 77.1 | Confident | 67.5 | Low | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 175 | 169 | 0 | 0 | 0 | 0 | 110.8 | I992 M1036 C1039 F1066 R1068 D1072 S1073 M1074 | I992-V1070 HydrophobicContact CG2-CG1 4.1Å; M1036-V1070 HydrophobicContact CE-CG1 4.33Å; M1036-V1070 HydrophobicContact CE-CG2 4.45Å; M1036-V1070 HydrophobicContact SD-CG2 4.02Å; C1039-V1070 HydrophobicContact CB-CG2 4.2Å; F1066-V1070 HydrophobicContact CD1-CG2 4.36Å; F1066-V1070 HydrophobicContact CD2-CG2 3.99Å; F1066-V1070 HydrophobicContact CE1-CG2 4.07Å; F1066-V1070 HydrophobicContact CE2-CG2 3.68Å; F1066-V1070 HydrophobicContact CG-CG2 4.33Å; F1066-V1070 HydrophobicContact CZ-CG2 3.73Å; F1066-V1070 VanDerWaalsContact O-CB 3.3Å; F1066-V1070 WeakPolarHBondContact O-CB 3.44Å; F1066-V1070 WeakPolarHBondContact O-CG2 3.23Å; F1066-V1070 PolarHBondContact O-N 3.49Å; R1068-V1070 PolarHBondContact O-N 3.15Å; V1070-D1072 VanDerWaalsContact C-N 3.34Å; V1070-D1072 PolarHBondContact O-N 3.1Å; V1070-S1073 PolarHBondContact O-N 3.26Å; V1070-S1073 PolarHBondContact O-OG 3.31Å; V1070-M1074 HydrophobicContact CG1-CG 4.42Å; V1070-M1074 WeakPolarHBondContact O-CB 3.31Å; V1070-M1074 WeakPolarHBondContact O-CG 3.34Å; V1070-M1074 PolarHBondContact O-N 2.92Å |
| 1071 | N | 69.7 | Low | 64.6 | Low | 58 Ų | 58 | 78.9 Ų | 78.9 | 31% | 0.31 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 177.3 | -78.9 | -24.1 | 0 | 0 | 0 | 112.8 | R1067 R1068 M1074 K1075 | R1067-N1071 VanDerWaalsContact O-CB 3.26Å; R1067-N1071 WeakPolarHBondContact O-CB 3.31Å; R1067-N1071 PolarHBondContact O-N 2.93Å; R1067-N1071 PolarHBondContact O-ND2 3.48Å; R1068-N1071 PolarHBondContact O-N 2.96Å; N1071-M1074 PolarHBondContact O-N 3.2Å; N1071-K1075 VanDerWaalsContact O-CG 3.29Å; N1071-K1075 WeakPolarHBondContact O-CG 3.43Å; N1071-K1075 PolarHBondContact O-N 3.05Å |
| 1072 | D | 67.6 | Low | 61.7 | Low | 85 Ų | 85 | 79.8 Ų | 79.8 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.7 | -39.2 | 177.8 | -68.1 | -19.5 | 0 | 0 | 0 | 111.1 | R1068 E1069 V1070 M1074 K1075 N1076 | R1068-D1072 WeakPolarHBondContact O-CB 3.44Å; R1068-D1072 VanDerWaalsContact O-CG 3.23Å; R1068-D1072 PolarHBondContact O-N 2.94Å; E1069-D1072 PolarHBondContact O-N 3.26Å; V1070-D1072 VanDerWaalsContact C-N 3.34Å; V1070-D1072 PolarHBondContact O-N 3.1Å; D1072-M1074 VanDerWaalsContact C-N 3.3Å; D1072-M1074 PolarHBondContact O-N 3.38Å; D1072-K1075 PolarHBondContact O-N 2.68Å; D1072-N1076 PolarHBondContact O-N 2.99Å; D1072-N1076 VanDerWaalsContact O-N 3.08Å |
| 1073 | S | 64.5 | Low | 58.7 | Low | 23 Ų | 23 | 83.9 Ų | 83.9 | 16% | 0.161 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 173.6 | 80.1 | 0 | 0 | 0 | 0 | 112.6 | K1032 E1069 V1070 | K1032-S1073 PolarHBondContact NZ-O 3.12Å; E1069-S1073 WeakPolarHBondContact O-CB 3.39Å; E1069-S1073 PolarHBondContact O-N 3.14Å; E1069-S1073 PolarHBondContact O-OG 3.13Å; V1070-S1073 PolarHBondContact O-N 3.26Å; V1070-S1073 PolarHBondContact O-OG 3.31Å |
| 1074 | M | 59.2 | Low | 55.8 | Low | 72 Ų | 72 | 90.8 Ų | 90.8 | 36% | 0.355 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.8 | -30.6 | 176.5 | -70.9 | -73.6 | -81.7 | 0 | 0 | 112.2 | V1070 N1071 D1072 | V1070-M1074 HydrophobicContact CG1-CG 4.42Å; V1070-M1074 WeakPolarHBondContact O-CB 3.31Å; V1070-M1074 WeakPolarHBondContact O-CG 3.34Å; V1070-M1074 PolarHBondContact O-N 2.92Å; N1071-M1074 PolarHBondContact O-N 3.2Å; D1072-M1074 VanDerWaalsContact C-N 3.3Å; D1072-M1074 PolarHBondContact O-N 3.38Å |
| 1075 | K | 49.9 | Very low | 53.3 | Low | 149 Ų | 149 | 96.9 Ų | 96.9 | 65% | 0.648 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -77.2 | -34.7 | 176.9 | -74.7 | 171.6 | -177.2 | 175.3 | 0 | 113.7 | N1071 D1072 S1077 | N1071-K1075 VanDerWaalsContact O-CG 3.29Å; N1071-K1075 WeakPolarHBondContact O-CG 3.43Å; N1071-K1075 PolarHBondContact O-N 3.05Å; D1072-K1075 PolarHBondContact O-N 2.68Å; K1075-S1077 VanDerWaalsContact C-N 3.28Å; K1075-S1077 PolarHBondContact O-N 2.9Å |
| 1076 | N | 40.2 | Very low | 50.7 | Low | 125 Ų | 125 | 104.5 Ų | 104.5 | 67% | 0.668 | 56% | 0.556 | S | S | * | * | trans | -80 | 58.5 | -174.7 | -71.7 | -15.4 | 0 | 0 | 0 | 113.5 | K1032 D1072 | K1032-N1076 PolarHBondContact NZ-O 3.42Å; D1072-N1076 PolarHBondContact O-N 2.99Å; D1072-N1076 VanDerWaalsContact O-N 3.08Å | ||
| 1077 | S | 36.7 | Very low | 48 | Very low | 87 Ų | 87 | 113.3 Ų | 113.3 | 61% | 0.608 | 60% | 0.599 | S | S | * | * | trans | -108.4 | 11.9 | 177.4 | 57.2 | 0 | 0 | 0 | 0 | 115.3 | K1075 | K1075-S1077 VanDerWaalsContact C-N 3.28Å; K1075-S1077 PolarHBondContact O-N 2.9Å | ||
| 1078 | T | 36 | Very low | 45.5 | Very low | 116 Ų | 116 | 120.9 Ų | 120.9 | 71% | 0.712 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -138.5 | 29.9 | -173 | 12.6 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1079 | Y | 29.1 | Very low | 43.7 | Very low | 235 Ų | 235 | 118.7 Ų | 118.7 | 92% | 0.922 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -133.4 | 100.1 | 167.1 | -79.8 | -80.8 | 0 | 0 | 0 | 112.8 | ||
| 1080 | G | 28.7 | Very low | 41.7 | Very low | 69 Ų | 69 | 121.1 Ų | 121.1 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | trans | 59.8 | 104.4 | 131.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | N1082 | G1080-N1082 PolarHBondContact O-N 2.96Š| ||
| 1081 | V | 27.6 | Very low | 39.8 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | -49.5 | 118 | 149.1 | 175.5 | 0 | 0 | 0 | 0 | 108.8 | S1083 | V1081-S1083 PolarHBondContact O-N 3.44Å; V1081-S1083 VanDerWaalsContact O-N 3.09Å | ||
| 1082 | N | 27.3 | Very low | 38 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -59.5 | 107.8 | 171.6 | -85.5 | -26.5 | 0 | 0 | 0 | 109.9 | G1080 | G1080-N1082 PolarHBondContact O-N 2.96Š| ||
| 1083 | S | 28 | Very low | 36.2 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | -96.2 | 70.3 | 165.6 | 39.8 | 0 | 0 | 0 | 0 | 109.1 | V1081 | V1081-S1083 PolarHBondContact O-N 3.44Å; V1081-S1083 VanDerWaalsContact O-N 3.09Å | ||
| 1084 | N | 29.5 | Very low | 34.3 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | -133 | 11.2 | 175.7 | -106.2 | -1.4 | 0 | 0 | 0 | 115.7 | ||||
| 1085 | D | 32.7 | Very low | 32.5 | Very low | 166 Ų | 166 | 147.3 Ų | 147.3 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -112.8 | 75 | 170.4 | -82.2 | -27.4 | 0 | 0 | 0 | 111.3 | ||||
| 1086 | M | 30.1 | Very low | 31.2 | Very low | 185 Ų | 185 | 147.2 Ų | 147.2 | 91% | 0.911 | 84% | 0.84 | S | S | * | * | trans | -151.7 | 74.3 | 149.6 | -84.5 | -157.1 | -159.9 | 0 | 0 | 109.3 | ||||
| 1087 | M | 30.6 | Very low | 30.4 | Very low | 186 Ų | 186 | 149 Ų | 149 | 92% | 0.916 | 86% | 0.855 | S | S | * | * | trans | -144.6 | 68.2 | 149 | -90.1 | -70.1 | -102.9 | 0 | 0 | 107.5 | ||||
| 1088 | S | 28.8 | Very low | 29.8 | Very low | 198 Ų | 198 | 154.6 Ų | 154.6 | 100% | 1.385 | 88% | 0.877 | S | S | * | * | trans | -170.6 | 0 | 138.9 | 12.1 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 1,088 of 1,088 residues in 257.8 ms
(Link to these results)