| 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 | 63 | Low | 83.8 | Confident | 211 Ų | 211 | 68.9 Ų | 68.9 | 100% | 1.039 | 39% | 0.388 | S | S | * | . | 0 | 129.2 | 0 | -82.5 | 179.5 | 159.6 | 0 | 0 | 108 | |||||
| 2 | V | 74.2 | Confident | 84.3 | Confident | 52 Ų | 52 | 67.5 Ų | 67.5 | 32% | 0.315 | 38% | 0.375 | S | S | . | . | trans | -71 | 129.8 | 175.4 | 177.7 | 0 | 0 | 0 | 0 | 107.6 | L6 I41 | V2-L6 HydrophobicContact CG1-CB 3.96Å; V2-L6 HydrophobicContact CG1-CD2 4.1Å; V2-L6 HydrophobicContact CG1-CG 4.04Å; V2-I41 HydrophobicContact CG2-CG2 4.16Å | ||
| 3 | T | 82.1 | Confident | 84.5 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 21% | 0.209 | 35% | 0.35 | C | S | . | . | trans | -70.7 | 151.2 | 175.7 | 58.8 | 0 | 0 | 0 | 0 | 109.5 | R5 L6 S7 E31 | T3-R5 PolarHBondContact O-N 3.19Å; T3-L6 PolarHBondContact O-N 3.11Å; T3-L6 VanDerWaalsContact O-N 3.08Å; T3-L6 VanDerWaalsContact OG1-CB 3.26Å; T3-L6 WeakPolarHBondContact OG1-CB 3.38Å; T3-L6 PolarHBondContact OG1-N 2.91Å; T3-S7 PolarHBondContact O-N 2.93Å; T3-E31 PolarHBondContact OG1-OE1 2.57Å; T3-E31 PolarHBondContact OG1-OE2 3.07Å | ||
| 4 | P | 86.4 | Confident | 84.5 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 74% | 0.74 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -53.7 | -36.8 | 173.1 | -25.9 | 34 | 0 | 0 | 0 | 112.1 | S7 S8 | P4-S7 PolarHBondContact O-N 3.38Å; P4-S8 WeakPolarHBondContact O-CB 3.46Å; P4-S8 PolarHBondContact O-N 2.89Å |
| 5 | R | 87 | Confident | 84.6 | Confident | 124 Ų | 124 | 63.5 Ų | 63.5 | 47% | 0.468 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -48.7 | 174.9 | -175.8 | -177 | -61.6 | 177.4 | 0.2 | 112.2 | T3 S7 S8 A9 D27 E31 | T3-R5 PolarHBondContact O-N 3.19Å; R5-S7 VanDerWaalsContact C-N 3.33Å; R5-S7 PolarHBondContact O-N 2.71Å; R5-S8 PolarHBondContact O-N 3.04Å; R5-A9 WeakPolarHBondContact O-CB 3.49Å; R5-A9 PolarHBondContact O-N 3.07Å; R5-D27 HydrophobicContact CG-CB 3.96Å; R5-E31 WeakPolarHBondContact CB-OE1 3.49Å; R5-E31 HydrophobicContact CG-CG 4.4Å |
| 6 | L | 85.8 | Confident | 84.6 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.016 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 176.9 | -178.1 | 58.1 | 0 | 0 | 0 | 111.3 | V2 T3 S8 A9 L10 L28 E31 I41 I42 | V2-L6 HydrophobicContact CG1-CB 3.96Å; V2-L6 HydrophobicContact CG1-CD2 4.1Å; V2-L6 HydrophobicContact CG1-CG 4.04Å; T3-L6 PolarHBondContact O-N 3.11Å; T3-L6 VanDerWaalsContact O-N 3.08Å; T3-L6 VanDerWaalsContact OG1-CB 3.26Å; T3-L6 WeakPolarHBondContact OG1-CB 3.38Å; T3-L6 PolarHBondContact OG1-N 2.91Å; L6-S8 VanDerWaalsContact C-N 3.34Å; L6-S8 PolarHBondContact O-N 3.1Å; L6-A9 PolarHBondContact O-N 2.6Å; L6-L10 HydrophobicContact CD1-CD1 4.31Å; L6-L10 HydrophobicContact CD1-CD2 4.47Å; L6-L10 HydrophobicContact CD1-CG 4.14Å; L6-L10 HydrophobicContact CG-CD1 4.18Å; L6-L10 HydrophobicContact CG-CG 4.43Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 3.43Å; L6-L28 HydrophobicContact CD1-CD2 4.15Å; L6-E31 HydrophobicContact CB-CG 3.99Å; L6-E31 HydrophobicContact CD1-CB 4.32Å; L6-E31 HydrophobicContact CD1-CG 4.39Å; L6-I41 HydrophobicContact CD2-CG2 4.09Å; L6-I42 HydrophobicContact CD1-CD1 4.27Å; L6-I42 HydrophobicContact CD1-CG1 4.04Å; L6-I42 HydrophobicContact CD2-CG1 4.35Å |
| 7 | S | 87.5 | Confident | 84.9 | Confident | 64 Ų | 64 | 66.9 Ų | 66.9 | 45% | 0.448 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 177 | -165.5 | 0 | 0 | 0 | 0 | 112.1 | T3 P4 R5 L10 S11 | T3-S7 PolarHBondContact O-N 2.93Å; P4-S7 PolarHBondContact O-N 3.38Å; R5-S7 VanDerWaalsContact C-N 3.33Å; R5-S7 PolarHBondContact O-N 2.71Å; S7-L10 PolarHBondContact O-N 3.43Å; S7-S11 PolarHBondContact O-N 3.32Å; S7-S11 VanDerWaalsContact O-N 3.13Å |
| 8 | S | 90.8 | Very high | 85.1 | Confident | 44 Ų | 44 | 67.4 Ų | 67.4 | 31% | 0.308 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.4 | -49.9 | 175.5 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | P4 R5 L6 L10 S11 K12 | P4-S8 WeakPolarHBondContact O-CB 3.46Å; P4-S8 PolarHBondContact O-N 2.89Å; R5-S8 PolarHBondContact O-N 3.04Å; L6-S8 VanDerWaalsContact C-N 3.34Å; L6-S8 PolarHBondContact O-N 3.1Å; S8-L10 VanDerWaalsContact C-N 3.34Å; S8-L10 PolarHBondContact O-N 3.41Å; S8-S11 PolarHBondContact O-N 3.41Å; S8-S11 VanDerWaalsContact O-N 3.15Å; S8-S11 PolarHBondContact O-OG 3.32Å; S8-K12 WeakPolarHBondContact O-CG 3.33Å; S8-K12 PolarHBondContact O-N 3.48Å |
| 9 | A | 89 | Confident | 85.4 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56.5 | -48.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R5 L6 S11 K12 L13 S24 D27 L28 | R5-A9 WeakPolarHBondContact O-CB 3.49Å; R5-A9 PolarHBondContact O-N 3.07Å; L6-A9 PolarHBondContact O-N 2.6Å; A9-S11 VanDerWaalsContact C-N 3.29Å; A9-S11 PolarHBondContact O-N 3.12Å; A9-K12 PolarHBondContact O-N 3.3Å; A9-K12 VanDerWaalsContact O-N 3.07Å; A9-L13 PolarHBondContact O-N 3.43Å; A9-L13 VanDerWaalsContact O-N 3.07Å; A9-S24 PolarHBondContact O-OG 3.06Å; A9-D27 HydrophobicContact CB-CB 3.82Å; A9-L28 HydrophobicContact CB-CD1 4.34Å; A9-L28 HydrophobicContact CB-CG 4.06Å |
| 10 | L | 88.6 | Confident | 85.6 | Confident | 31 Ų | 31 | 68.8 Ų | 68.8 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.8 | -37.9 | 178.6 | -66.7 | 176.5 | 0 | 0 | 0 | 113 | L6 S7 S8 L13 R45 V47 | L6-L10 HydrophobicContact CD1-CD1 4.31Å; L6-L10 HydrophobicContact CD1-CD2 4.47Å; L6-L10 HydrophobicContact CD1-CG 4.14Å; L6-L10 HydrophobicContact CG-CD1 4.18Å; L6-L10 HydrophobicContact CG-CG 4.43Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 3.43Å; S7-L10 PolarHBondContact O-N 3.43Å; S8-L10 VanDerWaalsContact C-N 3.34Å; S8-L10 PolarHBondContact O-N 3.41Å; L10-L13 HydrophobicContact CD2-CD1 4.28Å; L10-R45 VanDerWaalsContact CD1-CD 3.48Å; L10-V47 HydrophobicContact CD2-CB 4.5Å; L10-V47 HydrophobicContact CD2-CG1 4.28Å; L10-V47 HydrophobicContact CD2-CG2 3.39Å |
| 11 | S | 87.9 | Confident | 85.9 | Confident | 81 Ų | 81 | 65.5 Ų | 65.5 | 57% | 0.566 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69.9 | -35.9 | 175.1 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | S7 S8 A9 L13 E14 | S7-S11 PolarHBondContact O-N 3.32Å; S7-S11 VanDerWaalsContact O-N 3.13Å; S8-S11 PolarHBondContact O-N 3.41Å; S8-S11 VanDerWaalsContact O-N 3.15Å; S8-S11 PolarHBondContact O-OG 3.32Å; A9-S11 VanDerWaalsContact C-N 3.29Å; A9-S11 PolarHBondContact O-N 3.12Å; S11-L13 VanDerWaalsContact C-N 3.3Å; S11-L13 PolarHBondContact O-N 3.04Å; S11-E14 PolarHBondContact O-N 3.21Å |
| 12 | K | 89.5 | Confident | 87.2 | Confident | 52 Ų | 52 | 57.6 Ų | 57.6 | 23% | 0.226 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -73.1 | -19.9 | -179.7 | -73.1 | -177.4 | 173.9 | -169.6 | 0 | 113 | S8 A9 E14 S15 T20 E23 | S8-K12 WeakPolarHBondContact O-CG 3.33Å; S8-K12 PolarHBondContact O-N 3.48Å; A9-K12 PolarHBondContact O-N 3.3Å; A9-K12 VanDerWaalsContact O-N 3.07Å; K12-E14 PolarHBondContact O-N 2.98Å; K12-S15 WeakPolarHBondContact O-CB 3.13Å; K12-S15 PolarHBondContact O-N 3.16Å; K12-T20 HydrophobicContact CB-CG2 4.05Å; K12-T20 HydrophobicContact CD-CG2 4Å; K12-T20 HydrophobicContact CG-CG2 3.9Å; K12-E23 IonicContact NZ-OE2 3.96Å; K12-E23 PolarHBondContact NZ-OE2 2.74Å |
| 13 | L | 87.3 | Confident | 88.1 | Confident | 11 Ų | 11 | 60.1 Ų | 60.1 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23.2 | 175.2 | -75.7 | -178.3 | 0 | 0 | 0 | 113.9 | A9 L10 S11 S15 L21 L28 V47 L51 V55 | A9-L13 PolarHBondContact O-N 3.43Å; A9-L13 VanDerWaalsContact O-N 3.07Å; L10-L13 HydrophobicContact CD2-CD1 4.28Å; S11-L13 VanDerWaalsContact C-N 3.3Å; S11-L13 PolarHBondContact O-N 3.04Å; L13-S15 VanDerWaalsContact C-N 3.32Å; L13-L21 HydrophobicContact CD2-CD1 3.96Å; L13-L28 HydrophobicContact CD1-CD1 3.74Å; L13-L28 HydrophobicContact CD2-CD1 3.78Å; L13-L28 HydrophobicContact CG-CD1 3.91Å; L13-V47 HydrophobicContact CD1-CG1 4.08Å; L13-L51 HydrophobicContact CD1-CD2 4.4Å; L13-L51 HydrophobicContact CD2-CD2 3.82Å; L13-V55 HydrophobicContact CD2-CG2 4.46Å |
| 14 | E | 84.6 | Confident | 88.6 | Confident | 99 Ų | 99 | 58.5 Ų | 58.5 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -1.7 | 177.7 | -61.5 | -68.1 | 157.5 | 0 | 0 | 112.6 | S11 K12 R54 | S11-E14 PolarHBondContact O-N 3.21Å; K12-E14 PolarHBondContact O-N 2.98Å; E14-R54 IonicContact OE1-NH1 2.84Å; E14-R54 PolarHBondContact OE1-NH1 3.23Å; E14-R54 IonicContact OE2-NH1 2.76Å; E14-R54 PolarHBondContact OE2-NH1 3.49Å |
| 15 | S | 85.5 | Confident | 88.9 | Confident | 33 Ų | 33 | 53.2 Ų | 53.2 | 23% | 0.231 | 28% | 0.281 | C | S | . | . | trans | -68.3 | 148.3 | 179.3 | -170.8 | 0 | 0 | 0 | 0 | 112.6 | K12 L13 D17 | K12-S15 WeakPolarHBondContact O-CB 3.13Å; K12-S15 PolarHBondContact O-N 3.16Å; L13-S15 VanDerWaalsContact C-N 3.32Å; S15-D17 PolarHBondContact OG-N 3.13Å | ||
| 16 | D | 85.1 | Confident | 89.3 | Confident | 110 Ų | 110 | 50.9 Ų | 50.9 | 59% | 0.588 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -90.3 | -12.1 | 175.5 | -66.7 | 18.7 | 0 | 0 | 0 | 112 | R58 F59 | D16-R58 IonicContact OD1-CZ 2.75Å; D16-R58 IonicContact OD1-NH1 2.91Å; D16-R58 PolarHBondContact OD1-NH1 3.22Å; D16-R58 IonicContact OD1-NH2 3.5Å; D16-R58 PolarHBondContact OD1-NH2 3.4Å; D16-R58 IonicContact OD2-CZ 3.58Å; D16-R58 IonicContact OD2-NH2 3.59Å; D16-R58 PolarHBondContact OD2-NH2 3.33Å; D16-F59 WeakPolarHBondContact O-CE1 3.34Å |
| 17 | D | 88.8 | Confident | 89.6 | Confident | 74 Ų | 74 | 52.6 Ų | 52.6 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | trans | -85.6 | 122.2 | 179.5 | 175.4 | 62.6 | 0 | 0 | 0 | 111.4 | S15 L19 T20 L21 | S15-D17 PolarHBondContact OG-N 3.13Å; D17-L19 VanDerWaalsContact C-N 3.34Å; D17-L19 PolarHBondContact O-N 2.72Å; D17-L19 PolarHBondContact OD2-N 2.96Å; D17-T20 PolarHBondContact O-N 3.39Å; D17-T20 VanDerWaalsContact OD2-CB 3.28Å; D17-T20 WeakPolarHBondContact OD2-CB 3.43Å; D17-T20 PolarHBondContact OD2-N 3.42Å; D17-T20 PolarHBondContact OD2-OG1 2.9Å; D17-L21 WeakPolarHBondContact O-CB 3.03Å; D17-L21 PolarHBondContact O-N 3.45Å | ||
| 18 | E | 88.4 | Confident | 89.9 | Confident | 76 Ų | 76 | 49.5 Ų | 49.5 | 36% | 0.355 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.6 | -39.7 | -176 | -179.4 | 171 | 165.9 | 0 | 0 | 112.5 | L21 L22 S61 V64 | E18-L21 PolarHBondContact O-N 2.88Å; E18-L22 HydrophobicContact CG-CD1 4.18Å; E18-L22 WeakPolarHBondContact O-CG 3.37Å; E18-L22 PolarHBondContact O-N 2.9Å; E18-S61 WeakPolarHBondContact OE1-CB 3.41Å; E18-S61 PolarHBondContact OE1-OG 3.32Å; E18-V64 HydrophobicContact CG-CG2 3.61Å |
| 19 | L | 90.3 | Very high | 90 | Very high | 123 Ų | 123 | 49.4 Ų | 49.4 | 64% | 0.644 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -66.4 | -46.1 | -179.8 | -70 | 170.4 | 0 | 0 | 0 | 111 | D17 L21 L22 E23 | D17-L19 VanDerWaalsContact C-N 3.34Å; D17-L19 PolarHBondContact O-N 2.72Å; D17-L19 PolarHBondContact OD2-N 2.96Å; L19-L21 VanDerWaalsContact C-N 3.25Å; L19-L21 PolarHBondContact O-N 3.44Å; L19-L22 PolarHBondContact O-N 3.18Å; L19-E23 WeakPolarHBondContact O-CG 3.42Å; L19-E23 PolarHBondContact O-N 3.32Å |
| 20 | T | 91.2 | Very high | 90.1 | Very high | 39 Ų | 39 | 56 Ų | 56 | 24% | 0.239 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.2 | -38.9 | 175.8 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | K12 D17 S24 | K12-T20 HydrophobicContact CB-CG2 4.05Å; K12-T20 HydrophobicContact CD-CG2 4Å; K12-T20 HydrophobicContact CG-CG2 3.9Å; D17-T20 PolarHBondContact O-N 3.39Å; D17-T20 VanDerWaalsContact OD2-CB 3.28Å; D17-T20 WeakPolarHBondContact OD2-CB 3.43Å; D17-T20 PolarHBondContact OD2-N 3.42Å; D17-T20 PolarHBondContact OD2-OG1 2.9Å; T20-S24 WeakPolarHBondContact O-CB 3.41Å; T20-S24 PolarHBondContact O-N 3.48Å |
| 21 | L | 90.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.1 | -41.6 | 177.3 | -178.9 | 67.6 | 0 | 0 | 0 | 112.1 | L13 D17 E18 L19 S24 I25 V55 F59 V64 | L13-L21 HydrophobicContact CD2-CD1 3.96Å; D17-L21 WeakPolarHBondContact O-CB 3.03Å; D17-L21 PolarHBondContact O-N 3.45Å; E18-L21 PolarHBondContact O-N 2.88Å; L19-L21 VanDerWaalsContact C-N 3.25Å; L19-L21 PolarHBondContact O-N 3.44Å; L21-S24 VanDerWaalsContact O-CB 3.29Å; L21-S24 WeakPolarHBondContact O-CB 3.4Å; L21-S24 PolarHBondContact O-N 3.16Å; L21-I25 HydrophobicContact CD1-CD1 4.48Å; L21-I25 HydrophobicContact CG-CD1 4.08Å; L21-I25 WeakPolarHBondContact O-CG1 3.36Å; L21-I25 PolarHBondContact O-N 3.33Å; L21-V55 HydrophobicContact CD1-CG1 3.97Å; L21-V55 HydrophobicContact CD1-CG2 4.47Å; L21-V55 HydrophobicContact CD2-CG1 3.67Å; L21-V55 HydrophobicContact CG-CG1 4.24Å; L21-F59 HydrophobicContact CD2-CD1 4.38Å; L21-F59 HydrophobicContact CD2-CD2 3.48Å; L21-F59 VanDerWaalsContact CD2-CD2 3.48Å; L21-F59 HydrophobicContact CD2-CE1 4.41Å; L21-F59 HydrophobicContact CD2-CE2 3.51Å; L21-F59 HydrophobicContact CD2-CG 3.93Å; L21-F59 HydrophobicContact CD2-CZ 3.99Å; L21-V64 HydrophobicContact CD2-CG1 3.56Å; L21-V64 HydrophobicContact CD2-CG2 4.17Å; L21-V64 HydrophobicContact CG-CG1 4.39Å |
| 22 | L | 91.4 | Very high | 90.3 | Very high | 45 Ų | 45 | 51.1 Ų | 51.1 | 24% | 0.236 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 175.2 | -75.2 | 170.3 | 0 | 0 | 0 | 111.5 | E18 L19 S24 I25 E26 A63 V64 | E18-L22 HydrophobicContact CG-CD1 4.18Å; E18-L22 WeakPolarHBondContact O-CG 3.37Å; E18-L22 PolarHBondContact O-N 2.9Å; L19-L22 PolarHBondContact O-N 3.18Å; L22-S24 VanDerWaalsContact C-N 3.29Å; L22-S24 PolarHBondContact O-N 3.11Å; L22-I25 PolarHBondContact O-N 3.33Å; L22-E26 PolarHBondContact O-N 3.16Å; L22-A63 HydrophobicContact CD1-CB 4.39Å; L22-A63 HydrophobicContact CD2-CB 4.32Å; L22-V64 HydrophobicContact CD2-CB 4.5Å; L22-V64 HydrophobicContact CD2-CG2 4Å; L22-V64 HydrophobicContact CG-CG2 4.09Å |
| 23 | E | 93 | Very high | 90.2 | Very high | 106 Ų | 106 | 53.5 Ų | 53.5 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.1 | -44.7 | 172.1 | -72.7 | -178.5 | 179.1 | 0 | 0 | 111.7 | K12 L19 I25 E26 D27 | K12-E23 IonicContact NZ-OE2 3.96Å; K12-E23 PolarHBondContact NZ-OE2 2.74Å; L19-E23 WeakPolarHBondContact O-CG 3.42Å; L19-E23 PolarHBondContact O-N 3.32Å; E23-I25 VanDerWaalsContact C-N 3.35Å; E23-I25 PolarHBondContact O-N 2.88Å; E23-E26 PolarHBondContact O-N 2.99Å; E23-D27 PolarHBondContact O-N 3.25Å |
| 24 | S | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 178.1 | -179 | 0 | 0 | 0 | 0 | 112.5 | A9 T20 L21 L22 E26 D27 L28 | A9-S24 PolarHBondContact O-OG 3.06Å; T20-S24 WeakPolarHBondContact O-CB 3.41Å; T20-S24 PolarHBondContact O-N 3.48Å; L21-S24 VanDerWaalsContact O-CB 3.29Å; L21-S24 WeakPolarHBondContact O-CB 3.4Å; L21-S24 PolarHBondContact O-N 3.16Å; L22-S24 VanDerWaalsContact C-N 3.29Å; L22-S24 PolarHBondContact O-N 3.11Å; S24-E26 VanDerWaalsContact C-N 3.34Å; S24-D27 PolarHBondContact O-N 3.34Å; S24-L28 WeakPolarHBondContact O-CB 3.49Å; S24-L28 PolarHBondContact O-N 2.98Å |
| 25 | I | 93 | Very high | 89.7 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 178.1 | -69.7 | 165.2 | 0 | 0 | 0 | 110.3 | L21 L22 E23 L28 K29 V64 G67 V68 A71 | L21-I25 HydrophobicContact CD1-CD1 4.48Å; L21-I25 HydrophobicContact CG-CD1 4.08Å; L21-I25 WeakPolarHBondContact O-CG1 3.36Å; L21-I25 PolarHBondContact O-N 3.33Å; L22-I25 PolarHBondContact O-N 3.33Å; E23-I25 VanDerWaalsContact C-N 3.35Å; E23-I25 PolarHBondContact O-N 2.88Å; I25-L28 WeakPolarHBondContact O-CB 3.46Å; I25-L28 PolarHBondContact O-N 3.32Å; I25-K29 HydrophobicContact CG2-CD 4.24Å; I25-K29 VanDerWaalsContact O-CG 3.3Å; I25-K29 WeakPolarHBondContact O-CG 3.31Å; I25-K29 PolarHBondContact O-N 3.33Å; I25-V64 HydrophobicContact CD1-CG1 4.13Å; I25-G67 VanDerWaalsContact CG2-C 3.42Å; I25-G67 WeakPolarHBondContact CG2-O 3.37Å; I25-V68 HydrophobicContact CD1-CG2 3.7Å; I25-V68 HydrophobicContact CG1-CG2 4.48Å; I25-A71 HydrophobicContact CG2-CB 4.4Å |
| 26 | E | 93.6 | Very high | 89.7 | Confident | 76 Ų | 76 | 54.6 Ų | 54.6 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 174.8 | -72.8 | -56.3 | 140.4 | 0 | 0 | 112.1 | L22 E23 S24 L28 K29 Y30 | L22-E26 PolarHBondContact O-N 3.16Å; E23-E26 PolarHBondContact O-N 2.99Å; S24-E26 VanDerWaalsContact C-N 3.34Å; E26-L28 VanDerWaalsContact C-N 3.3Å; E26-L28 PolarHBondContact O-N 2.85Å; E26-K29 WeakPolarHBondContact O-CB 3.37Å; E26-K29 PolarHBondContact O-N 2.82Å; E26-K29 VanDerWaalsContact O-N 3.13Å; E26-K29 IonicContact OE1-NZ 3.9Å; E26-K29 PolarHBondContact OE1-NZ 2.78Å; E26-K29 IonicContact OE2-NZ 2.6Å; E26-K29 PolarHBondContact OE2-NZ 3.4Å; E26-Y30 WeakPolarHBondContact O-CD2 3.36Å; E26-Y30 PolarHBondContact O-N 3.11Å |
| 27 | D | 93 | Very high | 89.9 | Confident | 38 Ų | 38 | 58.5 Ų | 58.5 | 20% | 0.203 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.3 | -42.3 | 174.4 | -82.6 | -26.2 | 0 | 0 | 0 | 111.8 | R5 A9 E23 S24 Y30 E31 | R5-D27 HydrophobicContact CG-CB 3.96Å; A9-D27 HydrophobicContact CB-CB 3.82Å; E23-D27 PolarHBondContact O-N 3.25Å; S24-D27 PolarHBondContact O-N 3.34Å; D27-Y30 PolarHBondContact O-N 3.48Å; D27-E31 WeakPolarHBondContact O-CG 3.45Å; D27-E31 PolarHBondContact O-N 3.11Å |
| 28 | L | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 174.1 | -95.5 | 151.1 | 0 | 0 | 0 | 112.3 | L6 A9 L13 S24 I25 E26 Y30 E31 I32 I42 V47 | L6-L28 HydrophobicContact CD1-CD2 4.15Å; A9-L28 HydrophobicContact CB-CD1 4.34Å; A9-L28 HydrophobicContact CB-CG 4.06Å; L13-L28 HydrophobicContact CD1-CD1 3.74Å; L13-L28 HydrophobicContact CD2-CD1 3.78Å; L13-L28 HydrophobicContact CG-CD1 3.91Å; S24-L28 WeakPolarHBondContact O-CB 3.49Å; S24-L28 PolarHBondContact O-N 2.98Å; I25-L28 WeakPolarHBondContact O-CB 3.46Å; I25-L28 PolarHBondContact O-N 3.32Å; E26-L28 VanDerWaalsContact C-N 3.3Å; E26-L28 PolarHBondContact O-N 2.85Å; L28-Y30 VanDerWaalsContact C-N 3.34Å; L28-Y30 PolarHBondContact O-N 2.83Å; L28-E31 PolarHBondContact O-N 3.32Å; L28-I32 WeakPolarHBondContact O-CD1 3.2Å; L28-I32 VanDerWaalsContact O-CG1 3.23Å; L28-I32 WeakPolarHBondContact O-CG1 3.31Å; L28-I32 PolarHBondContact O-N 3.41Å; L28-I42 HydrophobicContact CD2-CD1 4.17Å; L28-V47 HydrophobicContact CD1-CG1 4.43Å; L28-V47 HydrophobicContact CD2-CG1 3.9Å |
| 29 | K | 93.2 | Very high | 90 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 18% | 0.178 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 177.1 | -70.5 | 164.8 | 61.6 | -152.1 | 0 | 111.4 | I25 E26 E31 I32 I33 A71 L74 | I25-K29 HydrophobicContact CG2-CD 4.24Å; I25-K29 VanDerWaalsContact O-CG 3.3Å; I25-K29 WeakPolarHBondContact O-CG 3.31Å; I25-K29 PolarHBondContact O-N 3.33Å; E26-K29 WeakPolarHBondContact O-CB 3.37Å; E26-K29 PolarHBondContact O-N 2.82Å; E26-K29 VanDerWaalsContact O-N 3.13Å; E26-K29 IonicContact OE1-NZ 3.9Å; E26-K29 PolarHBondContact OE1-NZ 2.78Å; E26-K29 IonicContact OE2-NZ 2.6Å; E26-K29 PolarHBondContact OE2-NZ 3.4Å; K29-E31 VanDerWaalsContact C-N 3.32Å; K29-E31 PolarHBondContact O-N 3.43Å; K29-I32 PolarHBondContact O-N 3.4Å; K29-I33 VanDerWaalsContact O-CG1 3.3Å; K29-I33 WeakPolarHBondContact O-CG1 3.37Å; K29-I33 PolarHBondContact O-N 3.47Å; K29-I33 VanDerWaalsContact O-N 3.08Å; K29-A71 HydrophobicContact CG-CB 3.89Å; K29-L74 HydrophobicContact CB-CD1 3.91Å; K29-L74 HydrophobicContact CG-CD1 3.96Å |
| 30 | Y | 91.7 | Very high | 90.1 | Very high | 140 Ų | 140 | 54.2 Ų | 54.2 | 55% | 0.549 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 175.7 | -76.8 | -67 | 0 | 0 | 0 | 112.4 | E26 D27 L28 G34 | E26-Y30 WeakPolarHBondContact O-CD2 3.36Å; E26-Y30 PolarHBondContact O-N 3.11Å; D27-Y30 PolarHBondContact O-N 3.48Å; L28-Y30 VanDerWaalsContact C-N 3.34Å; L28-Y30 PolarHBondContact O-N 2.83Å; Y30-G34 PolarHBondContact O-N 3.04Å |
| 31 | E | 90.5 | Very high | 90.1 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 178.1 | -72.1 | -63.9 | 166 | 0 | 0 | 112.7 | T3 R5 L6 D27 L28 K29 G34 R38 | T3-E31 PolarHBondContact OG1-OE1 2.57Å; T3-E31 PolarHBondContact OG1-OE2 3.07Å; R5-E31 WeakPolarHBondContact CB-OE1 3.49Å; R5-E31 HydrophobicContact CG-CG 4.4Å; L6-E31 HydrophobicContact CB-CG 3.99Å; L6-E31 HydrophobicContact CD1-CB 4.32Å; L6-E31 HydrophobicContact CD1-CG 4.39Å; D27-E31 WeakPolarHBondContact O-CG 3.45Å; D27-E31 PolarHBondContact O-N 3.11Å; L28-E31 PolarHBondContact O-N 3.32Å; K29-E31 VanDerWaalsContact C-N 3.32Å; K29-E31 PolarHBondContact O-N 3.43Å; E31-G34 PolarHBondContact O-N 3.32Å; E31-R38 WeakPolarHBondContact O-CB 3.27Å; E31-R38 WeakPolarHBondContact O-CD 3.36Å; E31-R38 IonicContact OE1-NH1 2.65Å; E31-R38 VanDerWaalsContact OE2-CD 3.3Å; E31-R38 WeakPolarHBondContact OE2-CD 3.4Å; E31-R38 IonicContact OE2-CZ 3.43Å; E31-R38 IonicContact OE2-NE 2.72Å; E31-R38 PolarHBondContact OE2-NE 3.27Å; E31-R38 IonicContact OE2-NH1 2.98Å; E31-R38 PolarHBondContact OE2-NH1 3.33Å |
| 32 | I | 90.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 176.1 | -70.3 | 164.2 | 0 | 0 | 0 | 111.1 | L28 K29 G34 R39 I42 A71 L74 F75 | L28-I32 WeakPolarHBondContact O-CD1 3.2Å; L28-I32 VanDerWaalsContact O-CG1 3.23Å; L28-I32 WeakPolarHBondContact O-CG1 3.31Å; L28-I32 PolarHBondContact O-N 3.41Å; K29-I32 PolarHBondContact O-N 3.4Å; I32-G34 PolarHBondContact O-N 3.1Å; I32-R39 HydrophobicContact CG2-CG 4.16Å; I32-R39 PolarHBondContact O-NH1 2.68Å; I32-R39 VanDerWaalsContact O-NH1 3.17Å; I32-R39 PolarHBondContact O-NH2 2.6Å; I32-R39 VanDerWaalsContact O-NH2 3.08Å; I32-I42 HydrophobicContact CD1-CD1 4.37Å; I32-I42 HydrophobicContact CG1-CD1 3.44Å; I32-I42 VanDerWaalsContact CG1-CD1 3.44Å; I32-A71 HydrophobicContact CD1-CB 4.35Å; I32-L74 HydrophobicContact CG2-CB 3.73Å; I32-L74 VanDerWaalsContact CG2-O 3.3Å; I32-L74 WeakPolarHBondContact CG2-O 3.32Å; I32-F75 HydrophobicContact CD1-CB 4.26Å; I32-F75 HydrophobicContact CG2-CB 4.37Å |
| 33 | I | 86.9 | Confident | 90.2 | Very high | 102 Ų | 102 | 54.9 Ų | 54.9 | 52% | 0.523 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.3 | -30.5 | -179.8 | -68.8 | 165.1 | 0 | 0 | 0 | 111.2 | K29 S35 L74 | K29-I33 VanDerWaalsContact O-CG1 3.3Å; K29-I33 WeakPolarHBondContact O-CG1 3.37Å; K29-I33 PolarHBondContact O-N 3.47Å; K29-I33 VanDerWaalsContact O-N 3.08Å; I33-S35 PolarHBondContact O-N 3.15Å; I33-L74 HydrophobicContact CD1-CD1 4.05Å; I33-L74 HydrophobicContact CD1-CD2 4.47Å; I33-L74 HydrophobicContact CG1-CD1 4.16Å; I33-L74 HydrophobicContact CG1-CD2 4.21Å |
| 34 | G | 75.9 | Confident | 90.1 | Very high | 45 Ų | 45 | 55.8 Ų | 55.8 | 46% | 0.464 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64 | -37.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | Y30 E31 I32 | Y30-G34 PolarHBondContact O-N 3.04Å; E31-G34 PolarHBondContact O-N 3.32Å; I32-G34 PolarHBondContact O-N 3.1Å |
| 35 | S | 84.8 | Confident | 89.9 | Confident | 42 Ų | 42 | 62 Ų | 62 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | trans | -175 | 159.9 | 174.7 | 63.3 | 0 | 0 | 0 | 0 | 113.4 | I33 R37 R38 R39 | I33-S35 PolarHBondContact O-N 3.15Å; S35-R37 PolarHBondContact O-N 3.07Å; S35-R38 WeakPolarHBondContact O-CB 3.44Å; S35-R38 PolarHBondContact O-N 3.36Å; S35-R38 VanDerWaalsContact O-N 3.08Å; S35-R38 WeakPolarHBondContact OG-CG 3.14Å; S35-R38 PolarHBondContact OG-N 3Å; S35-R39 PolarHBondContact O-N 3.38Å | ||
| 36 | N | 86.9 | Confident | 89.9 | Confident | 78 Ų | 78 | 68.2 Ų | 68.2 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.3 | -28.1 | 170.2 | -77 | -2.5 | 0 | 0 | 0 | 113.2 | R38 R39 Q40 G78 F82 | N36-R38 VanDerWaalsContact C-N 3.27Å; N36-R38 PolarHBondContact O-N 3.34Å; N36-R39 WeakPolarHBondContact O-CB 3.42Å; N36-R39 PolarHBondContact O-N 3.42Å; N36-R39 PolarHBondContact OD1-NH1 2.71Å; N36-Q40 PolarHBondContact O-N 3.35Å; N36-G78 PolarHBondContact ND2-O 2.67Å; N36-G78 WeakPolarHBondContact OD1-CA 3.43Å; N36-F82 HydrophobicContact CB-CE2 4.42Å |
| 37 | R | 87.7 | Confident | 89.8 | Confident | 192 Ų | 192 | 64.8 Ų | 64.8 | 73% | 0.725 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.4 | -35.6 | 172.2 | -170.7 | 177.6 | -175.6 | 178.4 | 4.1 | 112.2 | S35 I41 | S35-R37 PolarHBondContact O-N 3.07Å; R37-I41 WeakPolarHBondContact O-CG1 3.41Å; R37-I41 PolarHBondContact O-N 2.86Å |
| 38 | R | 87.9 | Confident | 89.7 | Confident | 85 Ų | 85 | 63.3 Ų | 63.3 | 32% | 0.321 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -72.9 | -41.2 | 175.6 | -70.1 | 174.6 | -172.5 | -170.1 | 10 | 111.5 | E31 S35 N36 Q40 I41 I42 | E31-R38 WeakPolarHBondContact O-CB 3.27Å; E31-R38 WeakPolarHBondContact O-CD 3.36Å; E31-R38 IonicContact OE1-NH1 2.65Å; E31-R38 VanDerWaalsContact OE2-CD 3.3Å; E31-R38 WeakPolarHBondContact OE2-CD 3.4Å; E31-R38 IonicContact OE2-CZ 3.43Å; E31-R38 IonicContact OE2-NE 2.72Å; E31-R38 PolarHBondContact OE2-NE 3.27Å; E31-R38 IonicContact OE2-NH1 2.98Å; E31-R38 PolarHBondContact OE2-NH1 3.33Å; S35-R38 WeakPolarHBondContact O-CB 3.44Å; S35-R38 PolarHBondContact O-N 3.36Å; S35-R38 VanDerWaalsContact O-N 3.08Å; S35-R38 WeakPolarHBondContact OG-CG 3.14Å; S35-R38 PolarHBondContact OG-N 3Å; N36-R38 VanDerWaalsContact C-N 3.27Å; N36-R38 PolarHBondContact O-N 3.34Å; R38-Q40 VanDerWaalsContact C-N 3.25Å; R38-Q40 PolarHBondContact O-N 3.28Å; R38-I41 PolarHBondContact O-N 3.15Å; R38-I41 VanDerWaalsContact O-N 3.15Å; R38-I42 WeakPolarHBondContact O-CG1 3.4Å; R38-I42 PolarHBondContact O-N 3.33Å |
| 39 | R | 92.1 | Very high | 89.6 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.7 | -43.6 | 171.3 | -68.1 | -176.9 | 176.9 | 78.4 | 12.2 | 111.5 | I32 S35 N36 I41 I42 H43 L74 F75 F82 | I32-R39 HydrophobicContact CG2-CG 4.16Å; I32-R39 PolarHBondContact O-NH1 2.68Å; I32-R39 VanDerWaalsContact O-NH1 3.17Å; I32-R39 PolarHBondContact O-NH2 2.6Å; I32-R39 VanDerWaalsContact O-NH2 3.08Å; S35-R39 PolarHBondContact O-N 3.38Å; N36-R39 WeakPolarHBondContact O-CB 3.42Å; N36-R39 PolarHBondContact O-N 3.42Å; N36-R39 PolarHBondContact OD1-NH1 2.71Å; R39-I41 PolarHBondContact O-N 3.22Å; R39-I42 WeakPolarHBondContact O-CB 3.31Å; R39-I42 PolarHBondContact O-N 3.35Å; R39-I42 VanDerWaalsContact O-N 3.17Å; R39-H43 WeakPolarHBondContact O-CB 3.34Å; R39-H43 PolarHBondContact O-N 2.8Å; R39-L74 PolarHBondContact NE-O 3.1Å; R39-L74 PolarHBondContact NH2-O 2.89Å; R39-L74 VanDerWaalsContact NH2-O 3.08Å; R39-F75 HydrophobicContact CB-CD2 4.32Å; R39-F75 HydrophobicContact CB-CE2 4.21Å; R39-F75 WeakPolarHBondContact CD-O 3.34Å; R39-F75 HydrophobicContact CG-CD2 4.39Å; R39-F75 PolarHBondContact NE-O 3.23Å; R39-F75 WeakPolarHBondContact O-CE2 3.41Å; R39-F82 HydrophobicContact CB-CD2 4.15Å; R39-F82 HydrophobicContact CB-CE1 4.19Å; R39-F82 HydrophobicContact CB-CE2 3.67Å; R39-F82 HydrophobicContact CB-CZ 3.69Å; R39-F82 HydrophobicContact CG-CE2 4.48Å |
| 40 | Q | 92.3 | Very high | 89.5 | Confident | 75 Ų | 75 | 63.5 Ų | 63.5 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 176.9 | -174.7 | 60.3 | 26.6 | 0 | 0 | 112.7 | N36 R38 I42 H43 E44 F82 | N36-Q40 PolarHBondContact O-N 3.35Å; R38-Q40 VanDerWaalsContact C-N 3.25Å; R38-Q40 PolarHBondContact O-N 3.28Å; Q40-I42 VanDerWaalsContact C-N 3.33Å; Q40-I42 PolarHBondContact O-N 2.84Å; Q40-H43 WeakPolarHBondContact O-CB 3.28Å; Q40-H43 PolarHBondContact O-N 2.66Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.28Å; Q40-E44 PolarHBondContact NE2-OE1 2.8Å; Q40-E44 WeakPolarHBondContact O-CG 3.46Å; Q40-E44 PolarHBondContact O-N 3.32Å; Q40-F82 HydrophobicContact CB-CZ 4.33Å |
| 41 | I | 90.5 | Very high | 89.5 | Confident | 28 Ų | 28 | 57 Ų | 57 | 14% | 0.144 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 176.6 | -64.6 | 167.4 | 0 | 0 | 0 | 111.3 | V2 L6 R37 R38 R39 H43 E44 R45 | V2-I41 HydrophobicContact CG2-CG2 4.16Å; L6-I41 HydrophobicContact CD2-CG2 4.09Å; R37-I41 WeakPolarHBondContact O-CG1 3.41Å; R37-I41 PolarHBondContact O-N 2.86Å; R38-I41 PolarHBondContact O-N 3.15Å; R38-I41 VanDerWaalsContact O-N 3.15Å; R39-I41 PolarHBondContact O-N 3.22Å; I41-H43 VanDerWaalsContact C-N 3.31Å; I41-E44 PolarHBondContact O-N 2.98Å; I41-R45 WeakPolarHBondContact O-CB 2.91Å; I41-R45 WeakPolarHBondContact O-CG 3.06Å; I41-R45 PolarHBondContact O-N 2.85Å; I41-R45 VanDerWaalsContact O-N 3.1Å |
| 42 | I | 91.3 | Very high | 89.4 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.1 | -40 | 176.9 | -70.3 | 172.5 | 0 | 0 | 0 | 110.4 | L6 L28 I32 R38 R39 Q40 R45 Q46 V47 F75 | L6-I42 HydrophobicContact CD1-CD1 4.27Å; L6-I42 HydrophobicContact CD1-CG1 4.04Å; L6-I42 HydrophobicContact CD2-CG1 4.35Å; L28-I42 HydrophobicContact CD2-CD1 4.17Å; I32-I42 HydrophobicContact CD1-CD1 4.37Å; I32-I42 HydrophobicContact CG1-CD1 3.44Å; I32-I42 VanDerWaalsContact CG1-CD1 3.44Å; R38-I42 WeakPolarHBondContact O-CG1 3.4Å; R38-I42 PolarHBondContact O-N 3.33Å; R39-I42 WeakPolarHBondContact O-CB 3.31Å; R39-I42 PolarHBondContact O-N 3.35Å; R39-I42 VanDerWaalsContact O-N 3.17Å; Q40-I42 VanDerWaalsContact C-N 3.33Å; Q40-I42 PolarHBondContact O-N 2.84Å; I42-R45 PolarHBondContact O-N 2.9Å; I42-Q46 PolarHBondContact O-N 3.36Å; I42-V47 HydrophobicContact CB-CG2 4.49Å; I42-V47 HydrophobicContact CG2-CB 3.63Å; I42-V47 HydrophobicContact CG2-CG1 4.08Å; I42-V47 HydrophobicContact CG2-CG2 3.98Å; I42-V47 WeakPolarHBondContact O-CB 3.48Å; I42-V47 VanDerWaalsContact O-CG2 3.31Å; I42-V47 WeakPolarHBondContact O-CG2 3.4Å; I42-V47 PolarHBondContact O-N 3.28Å; I42-V47 VanDerWaalsContact O-N 3.16Å; I42-F75 HydrophobicContact CB-CE2 4.22Å; I42-F75 HydrophobicContact CG2-CD2 3.91Å; I42-F75 HydrophobicContact CG2-CE2 3.85Å |
| 43 | H | 92.2 | Very high | 89.2 | Confident | 66 Ų | 66 | 60.3 Ų | 60.3 | 31% | 0.306 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.2 | -51 | 174.8 | -175.1 | -119 | 0 | 0 | 0 | 111.7 | R39 Q40 I41 R45 Q46 F75 F82 S85 | R39-H43 WeakPolarHBondContact O-CB 3.34Å; R39-H43 PolarHBondContact O-N 2.8Å; Q40-H43 WeakPolarHBondContact O-CB 3.28Å; Q40-H43 PolarHBondContact O-N 2.66Å; I41-H43 VanDerWaalsContact C-N 3.31Å; H43-R45 PolarHBondContact O-N 3.41Å; H43-Q46 WeakPolarHBondContact O-CA 3.16Å; H43-Q46 PolarHBondContact O-N 3.14Å; H43-F75 HydrophobicContact CB-CE2 4.13Å; H43-F75 HydrophobicContact CB-CZ 3.78Å; H43-F82 HydrophobicContact CB-CE1 4.25Å; H43-S85 VanDerWaalsContact NE2-CB 3.3Å; H43-S85 WeakPolarHBondContact NE2-CB 3.45Å |
| 44 | E | 91.5 | Very high | 89 | Confident | 124 Ų | 124 | 62.2 Ų | 62.2 | 58% | 0.579 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59.7 | -29.3 | 179.3 | -74.4 | 166.8 | -171.9 | 0 | 0 | 113 | Q40 I41 Q46 | Q40-E44 WeakPolarHBondContact CG-OE1 3.28Å; Q40-E44 PolarHBondContact NE2-OE1 2.8Å; Q40-E44 WeakPolarHBondContact O-CG 3.46Å; Q40-E44 PolarHBondContact O-N 3.32Å; I41-E44 PolarHBondContact O-N 2.98Å; E44-Q46 VanDerWaalsContact C-N 3.28Å |
| 45 | R | 90 | Very high | 89.3 | Confident | 132 Ų | 132 | 60.3 Ų | 60.3 | 50% | 0.498 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 8.1 | 175.4 | -69.7 | -172.1 | 174.9 | -131.7 | -5.1 | 114.1 | L10 I41 I42 H43 V47 | L10-R45 VanDerWaalsContact CD1-CD 3.48Å; I41-R45 WeakPolarHBondContact O-CB 2.91Å; I41-R45 WeakPolarHBondContact O-CG 3.06Å; I41-R45 PolarHBondContact O-N 2.85Å; I41-R45 VanDerWaalsContact O-N 3.1Å; I42-R45 PolarHBondContact O-N 2.9Å; H43-R45 PolarHBondContact O-N 3.41Å; R45-V47 HydrophobicContact CB-CG2 3.92Å; R45-V47 PolarHBondContact O-N 2.95Å; R45-V47 VanDerWaalsContact O-N 3.09Å |
| 46 | Q | 92 | Very high | 89.1 | Confident | 132 Ų | 132 | 58.7 Ų | 58.7 | 62% | 0.617 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 28 | 178.9 | -56.7 | -179.5 | 15.4 | 0 | 0 | 113.6 | I42 H43 E44 P48 A49 V50 | I42-Q46 PolarHBondContact O-N 3.36Å; H43-Q46 WeakPolarHBondContact O-CA 3.16Å; H43-Q46 PolarHBondContact O-N 3.14Å; E44-Q46 VanDerWaalsContact C-N 3.28Å; Q46-P48 VanDerWaalsContact C-CD 3.49Å; Q46-A49 HydrophobicContact CB-CB 4.34Å; Q46-A49 WeakPolarHBondContact O-CB 2.95Å; Q46-A49 PolarHBondContact O-N 3.27Å; Q46-A49 VanDerWaalsContact O-N 3.15Å; Q46-V50 WeakPolarHBondContact O-CG2 3.15Å; Q46-V50 PolarHBondContact O-N 2.82Å |
| 47 | V | 92 | Very high | 88.7 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.4 | -40.6 | -178 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | L10 L13 L28 I42 R45 A49 V50 L51 | L10-V47 HydrophobicContact CD2-CB 4.5Å; L10-V47 HydrophobicContact CD2-CG1 4.28Å; L10-V47 HydrophobicContact CD2-CG2 3.39Å; L13-V47 HydrophobicContact CD1-CG1 4.08Å; L28-V47 HydrophobicContact CD1-CG1 4.43Å; L28-V47 HydrophobicContact CD2-CG1 3.9Å; I42-V47 HydrophobicContact CB-CG2 4.49Å; I42-V47 HydrophobicContact CG2-CB 3.63Å; I42-V47 HydrophobicContact CG2-CG1 4.08Å; I42-V47 HydrophobicContact CG2-CG2 3.98Å; I42-V47 WeakPolarHBondContact O-CB 3.48Å; I42-V47 VanDerWaalsContact O-CG2 3.31Å; I42-V47 WeakPolarHBondContact O-CG2 3.4Å; I42-V47 PolarHBondContact O-N 3.28Å; I42-V47 VanDerWaalsContact O-N 3.16Å; R45-V47 HydrophobicContact CB-CG2 3.92Å; R45-V47 PolarHBondContact O-N 2.95Å; R45-V47 VanDerWaalsContact O-N 3.09Å; V47-A49 VanDerWaalsContact C-N 3.29Å; V47-A49 PolarHBondContact O-N 3.45Å; V47-V50 PolarHBondContact O-N 3.34Å; V47-L51 HydrophobicContact CG1-CD1 4.09Å; V47-L51 HydrophobicContact CG1-CG 4.13Å; V47-L51 WeakPolarHBondContact O-CB 3.2Å; V47-L51 WeakPolarHBondContact O-CG 3.44Å; V47-L51 PolarHBondContact O-N 3.34Å |
| 48 | P | 91.6 | Very high | 88.4 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 5% | 0.045 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 176 | -25 | 35.9 | 0 | 0 | 0 | 113.3 | Q46 L51 L52 L72 F75 L86 | Q46-P48 VanDerWaalsContact C-CD 3.49Å; P48-L51 PolarHBondContact O-N 3.23Å; P48-L52 WeakPolarHBondContact O-CB 3.44Å; P48-L52 PolarHBondContact O-N 3.49Å; P48-L72 HydrophobicContact CB-CD2 3.97Å; P48-F75 HydrophobicContact CG-CD1 4.24Å; P48-F75 HydrophobicContact CG-CD2 4.39Å; P48-F75 HydrophobicContact CG-CE1 3.91Å; P48-F75 HydrophobicContact CG-CE2 4.06Å; P48-F75 HydrophobicContact CG-CG 4.46Å; P48-F75 HydrophobicContact CG-CZ 3.81Å; P48-L86 HydrophobicContact CB-CD2 3.58Å; P48-L86 HydrophobicContact CG-CD2 4.26Å |
| 49 | A | 90.1 | Very high | 88 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 10% | 0.099 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.3 | -44 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q46 V47 L52 S53 E89 | Q46-A49 HydrophobicContact CB-CB 4.34Å; Q46-A49 WeakPolarHBondContact O-CB 2.95Å; Q46-A49 PolarHBondContact O-N 3.27Å; Q46-A49 VanDerWaalsContact O-N 3.15Å; V47-A49 VanDerWaalsContact C-N 3.29Å; V47-A49 PolarHBondContact O-N 3.45Å; A49-L52 PolarHBondContact O-N 2.83Å; A49-S53 WeakPolarHBondContact O-CB 3.07Å; A49-S53 PolarHBondContact O-N 3.48Å; A49-S53 PolarHBondContact O-OG 3.14Å; A49-E89 HydrophobicContact CB-CG 4.4Å; A49-E89 VanDerWaalsContact CB-OE2 3.23Å; A49-E89 WeakPolarHBondContact CB-OE2 3.31Å |
| 50 | V | 90.9 | Very high | 87.3 | Confident | 34 Ų | 34 | 60.1 Ų | 60.1 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -44.8 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | Q46 V47 L52 R54 V55 | Q46-V50 WeakPolarHBondContact O-CG2 3.15Å; Q46-V50 PolarHBondContact O-N 2.82Å; V47-V50 PolarHBondContact O-N 3.34Å; V50-L52 PolarHBondContact O-N 3.08Å; V50-R54 HydrophobicContact CG1-CB 4.39Å; V50-R54 WeakPolarHBondContact O-CA 3.24Å; V50-R54 VanDerWaalsContact O-CB 3.28Å; V50-R54 WeakPolarHBondContact O-CB 3.31Å; V50-R54 PolarHBondContact O-N 2.89Å; V50-V55 PolarHBondContact O-N 3.06Å; V50-V55 VanDerWaalsContact O-N 3.11Å |
| 51 | L | 91.9 | Very high | 87.2 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -60.6 | -46.3 | 178.1 | -73 | 178 | 0 | 0 | 0 | 111.5 | L13 V47 P48 V55 M56 V68 A71 L72 | L13-L51 HydrophobicContact CD1-CD2 4.4Å; L13-L51 HydrophobicContact CD2-CD2 3.82Å; V47-L51 HydrophobicContact CG1-CD1 4.09Å; V47-L51 HydrophobicContact CG1-CG 4.13Å; V47-L51 WeakPolarHBondContact O-CB 3.2Å; V47-L51 WeakPolarHBondContact O-CG 3.44Å; V47-L51 PolarHBondContact O-N 3.34Å; P48-L51 PolarHBondContact O-N 3.23Å; L51-V55 HydrophobicContact CD2-CG2 4.2Å; L51-V55 WeakPolarHBondContact O-CB 3.2Å; L51-V55 PolarHBondContact O-N 3.33Å; L51-M56 WeakPolarHBondContact O-CG 3.24Å; L51-M56 PolarHBondContact O-N 3.26Å; L51-M56 VanDerWaalsContact O-N 3.09Å; L51-V68 HydrophobicContact CB-CG1 3.84Å; L51-V68 HydrophobicContact CD2-CG2 4.31Å; L51-A71 HydrophobicContact CD1-CB 4.4Å; L51-L72 HydrophobicContact CB-CD2 4.3Å; L51-L72 HydrophobicContact CD1-CD2 4.02Å |
| 52 | L | 89 | Confident | 87.1 | Confident | 17 Ų | 17 | 60.4 Ų | 60.4 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -73.9 | -47.3 | -176.6 | -171.2 | 64 | 0 | 0 | 0 | 113 | P48 A49 V50 E89 L91 F94 | P48-L52 WeakPolarHBondContact O-CB 3.44Å; P48-L52 PolarHBondContact O-N 3.49Å; A49-L52 PolarHBondContact O-N 2.83Å; V50-L52 PolarHBondContact O-N 3.08Å; L52-E89 HydrophobicContact CD2-CB 4.18Å; L52-E89 WeakPolarHBondContact CD2-O 3.26Å; L52-L91 HydrophobicContact CD1-CD1 3.91Å; L52-L91 HydrophobicContact CD2-CB 4.38Å; L52-L91 HydrophobicContact CD2-CD1 4.48Å; L52-F94 HydrophobicContact CD1-CB 4.06Å; L52-F94 HydrophobicContact CD1-CD1 3.61Å; L52-F94 HydrophobicContact CD1-CD2 4.12Å; L52-F94 HydrophobicContact CD1-CE1 4.07Å; L52-F94 HydrophobicContact CD1-CG 3.64Å |
| 53 | S | 85.1 | Confident | 87.1 | Confident | 61 Ų | 61 | 62.5 Ų | 62.5 | 43% | 0.427 | 31% | 0.314 | S | S | . | . | I | π-helix | trans | -85.4 | -38.9 | -172.9 | 65.1 | 0 | 0 | 0 | 0 | 113.6 | A49 Q57 | A49-S53 WeakPolarHBondContact O-CB 3.07Å; A49-S53 PolarHBondContact O-N 3.48Å; A49-S53 PolarHBondContact O-OG 3.14Å; S53-Q57 WeakPolarHBondContact O-CB 3.49Å; S53-Q57 VanDerWaalsContact O-CG 3.24Å; S53-Q57 WeakPolarHBondContact O-CG 3.34Å; S53-Q57 PolarHBondContact O-OE1 2.96Å |
| 54 | R | 82.9 | Confident | 87.1 | Confident | 142 Ų | 142 | 59.4 Ų | 59.4 | 54% | 0.536 | 30% | 0.299 | S | S | . | . | I | π-helix | trans | -95.4 | -58.8 | -176.9 | -96.6 | 179.5 | 179.2 | 176.8 | 2.4 | 111.8 | E14 V50 Q57 R58 | E14-R54 IonicContact OE1-NH1 2.84Å; E14-R54 PolarHBondContact OE1-NH1 3.23Å; E14-R54 IonicContact OE2-NH1 2.76Å; E14-R54 PolarHBondContact OE2-NH1 3.49Å; V50-R54 HydrophobicContact CG1-CB 4.39Å; V50-R54 WeakPolarHBondContact O-CA 3.24Å; V50-R54 VanDerWaalsContact O-CB 3.28Å; V50-R54 WeakPolarHBondContact O-CB 3.31Å; V50-R54 PolarHBondContact O-N 2.89Å; R54-Q57 PolarHBondContact O-N 2.96Å; R54-R58 WeakPolarHBondContact O-CB 3.49Å; R54-R58 PolarHBondContact O-N 3.37Å |
| 55 | V | 81.6 | Confident | 87.1 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -68.3 | -46.7 | -168.4 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | L13 L21 V50 L51 Q57 R58 F59 V64 V68 | L13-V55 HydrophobicContact CD2-CG2 4.46Å; L21-V55 HydrophobicContact CD1-CG1 3.97Å; L21-V55 HydrophobicContact CD1-CG2 4.47Å; L21-V55 HydrophobicContact CD2-CG1 3.67Å; L21-V55 HydrophobicContact CG-CG1 4.24Å; V50-V55 PolarHBondContact O-N 3.06Å; V50-V55 VanDerWaalsContact O-N 3.11Å; L51-V55 HydrophobicContact CD2-CG2 4.2Å; L51-V55 WeakPolarHBondContact O-CB 3.2Å; L51-V55 PolarHBondContact O-N 3.33Å; V55-Q57 VanDerWaalsContact C-N 3.32Å; V55-Q57 PolarHBondContact O-N 2.92Å; V55-R58 PolarHBondContact O-N 3.07Å; V55-F59 HydrophobicContact CG1-CD2 4.48Å; V55-F59 PolarHBondContact O-N 3.3Å; V55-V64 HydrophobicContact CG1-CG1 3.98Å; V55-V68 HydrophobicContact CB-CG2 4.37Å; V55-V68 HydrophobicContact CG1-CG2 3.8Å |
| 56 | M | 81.9 | Confident | 87.3 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.5 | -30.7 | -179 | -62.3 | -132.9 | 67.9 | 0 | 0 | 113.9 | L51 K65 V68 V69 F94 Y106 | L51-M56 WeakPolarHBondContact O-CG 3.24Å; L51-M56 PolarHBondContact O-N 3.26Å; L51-M56 VanDerWaalsContact O-N 3.09Å; M56-K65 HydrophobicContact CE-CB 3.35Å; M56-K65 HydrophobicContact CE-CD 4.24Å; M56-K65 HydrophobicContact CE-CG 3.45Å; M56-K65 VanDerWaalsContact CE-CG 3.45Å; M56-K65 WeakPolarHBondContact CE-O 3.49Å; M56-V68 HydrophobicContact CE-CB 4.32Å; M56-V68 HydrophobicContact CG-CB 4.08Å; M56-V68 HydrophobicContact CG-CG1 3.56Å; M56-V68 HydrophobicContact CG-CG2 4.32Å; M56-V68 HydrophobicContact SD-CB 4.07Å; M56-V68 HydrophobicContact SD-CG1 3.65Å; M56-V69 HydrophobicContact CE-CG2 4.27Å; M56-V69 HydrophobicContact SD-CG2 4.15Å; M56-F94 HydrophobicContact CB-CZ 4.2Å; M56-F94 HydrophobicContact CE-CE1 4.17Å; M56-F94 HydrophobicContact CE-CZ 3.84Å; M56-F94 HydrophobicContact CG-CZ 4.36Å; M56-F94 HydrophobicContact SD-CD1 4.49Å; M56-F94 HydrophobicContact SD-CE1 3.41Å; M56-F94 WeakPolarHBondContact SD-CE1 3.37Å; M56-F94 HydrophobicContact SD-CE2 4.42Å; M56-F94 HydrophobicContact SD-CZ 3.36Å; M56-F94 WeakPolarHBondContact SD-CZ 3.49Å; M56-Y106 HydrophobicContact CE-CE2 4.17Å; M56-Y106 WeakPolarHBondContact CE-OH 3.43Å |
| 57 | Q | 78.4 | Confident | 87.4 | Confident | 159 Ų | 159 | 47.3 Ų | 47.3 | 74% | 0.743 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -80.2 | -34.7 | 179 | -65.4 | -173.2 | 7.1 | 0 | 0 | 112 | S53 R54 V55 | S53-Q57 WeakPolarHBondContact O-CB 3.49Å; S53-Q57 VanDerWaalsContact O-CG 3.24Å; S53-Q57 WeakPolarHBondContact O-CG 3.34Å; S53-Q57 PolarHBondContact O-OE1 2.96Å; R54-Q57 PolarHBondContact O-N 2.96Å; V55-Q57 VanDerWaalsContact C-N 3.32Å; V55-Q57 PolarHBondContact O-N 2.92Å |
| 58 | R | 80.3 | Confident | 87.5 | Confident | 122 Ų | 122 | 47.2 Ų | 47.2 | 46% | 0.46 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -74.6 | -34.9 | -175 | -173.1 | 174.6 | -169.1 | -169.4 | 8.8 | 113.4 | D16 R54 V55 | D16-R58 IonicContact OD1-CZ 2.75Å; D16-R58 IonicContact OD1-NH1 2.91Å; D16-R58 PolarHBondContact OD1-NH1 3.22Å; D16-R58 IonicContact OD1-NH2 3.5Å; D16-R58 PolarHBondContact OD1-NH2 3.4Å; D16-R58 IonicContact OD2-CZ 3.58Å; D16-R58 IonicContact OD2-NH2 3.59Å; D16-R58 PolarHBondContact OD2-NH2 3.33Å; R54-R58 WeakPolarHBondContact O-CB 3.49Å; R54-R58 PolarHBondContact O-N 3.37Å; V55-R58 PolarHBondContact O-N 3.07Å |
| 59 | F | 80.4 | Confident | 87.7 | Confident | 20 Ų | 20 | 46.9 Ų | 46.9 | 9% | 0.088 | 25% | 0.246 | C | C | . | . | trans | -113.5 | 117.1 | -172.6 | -67.8 | -86.5 | 0 | 0 | 0 | 111.8 | D16 L21 V55 S61 V64 K65 | D16-F59 WeakPolarHBondContact O-CE1 3.34Å; L21-F59 HydrophobicContact CD2-CD1 4.38Å; L21-F59 HydrophobicContact CD2-CD2 3.48Å; L21-F59 VanDerWaalsContact CD2-CD2 3.48Å; L21-F59 HydrophobicContact CD2-CE1 4.41Å; L21-F59 HydrophobicContact CD2-CE2 3.51Å; L21-F59 HydrophobicContact CD2-CG 3.93Å; L21-F59 HydrophobicContact CD2-CZ 3.99Å; V55-F59 HydrophobicContact CG1-CD2 4.48Å; V55-F59 PolarHBondContact O-N 3.3Å; F59-S61 VanDerWaalsContact C-N 3.27Å; F59-S61 PolarHBondContact O-N 2.93Å; F59-V64 HydrophobicContact CB-CB 4.32Å; F59-V64 HydrophobicContact CB-CG1 4Å; F59-V64 HydrophobicContact CB-CG2 4.44Å; F59-K65 WeakPolarHBondContact O-CE 3.28Å | ||
| 60 | P | 78.4 | Confident | 87.9 | Confident | 108 Ų | 108 | 47.7 Ų | 47.7 | 70% | 0.701 | 25% | 0.253 | S | S | * | . | trans | -74.3 | -18.4 | -179.2 | 28.9 | -33.5 | 0 | 0 | 0 | 113.2 | T62 | P60-T62 PolarHBondContact O-N 3.09Š| ||
| 61 | S | 89.2 | Confident | 88.1 | Confident | 27 Ų | 27 | 46.1 Ų | 46.1 | 19% | 0.189 | 24% | 0.243 | C | C | . | . | trans | -57.5 | 127.4 | -174.5 | 173.3 | 0 | 0 | 0 | 0 | 113.4 | E18 F59 A63 V64 K65 | E18-S61 WeakPolarHBondContact OE1-CB 3.41Å; E18-S61 PolarHBondContact OE1-OG 3.32Å; F59-S61 VanDerWaalsContact C-N 3.27Å; F59-S61 PolarHBondContact O-N 2.93Å; S61-A63 PolarHBondContact O-N 3.28Å; S61-A63 PolarHBondContact OG-N 3.48Å; S61-V64 PolarHBondContact O-N 2.99Å; S61-K65 WeakPolarHBondContact O-CG 3.29Å; S61-K65 PolarHBondContact O-N 2.96Å | ||
| 62 | T | 88.9 | Confident | 88.3 | Confident | 82 Ų | 82 | 46 Ų | 46 | 50% | 0.503 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.2 | -33.9 | 174.3 | -51.2 | 0 | 0 | 0 | 0 | 112.2 | P60 K65 K66 Y106 | P60-T62 PolarHBondContact O-N 3.09Å; T62-K65 PolarHBondContact O-N 3.36Å; T62-K66 VanDerWaalsContact O-CB 3.23Å; T62-K66 WeakPolarHBondContact O-CB 3.22Å; T62-K66 PolarHBondContact O-N 3.04Å; T62-Y106 HydrophobicContact CG2-CG 4.37Å |
| 63 | A | 91.6 | Very high | 88.7 | Confident | 49 Ų | 49 | 45.5 Ų | 45.5 | 41% | 0.405 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.6 | -48.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L22 S61 K66 G67 | L22-A63 HydrophobicContact CD1-CB 4.39Å; L22-A63 HydrophobicContact CD2-CB 4.32Å; S61-A63 PolarHBondContact O-N 3.28Å; S61-A63 PolarHBondContact OG-N 3.48Å; A63-K66 PolarHBondContact O-N 3.37Å; A63-G67 PolarHBondContact O-N 3.01Å |
| 64 | V | 91.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.2 | -48.6 | 175.4 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | E18 L21 L22 I25 V55 F59 S61 K66 G67 V68 | E18-V64 HydrophobicContact CG-CG2 3.61Å; L21-V64 HydrophobicContact CD2-CG1 3.56Å; L21-V64 HydrophobicContact CD2-CG2 4.17Å; L21-V64 HydrophobicContact CG-CG1 4.39Å; L22-V64 HydrophobicContact CD2-CB 4.5Å; L22-V64 HydrophobicContact CD2-CG2 4Å; L22-V64 HydrophobicContact CG-CG2 4.09Å; I25-V64 HydrophobicContact CD1-CG1 4.13Å; V55-V64 HydrophobicContact CG1-CG1 3.98Å; F59-V64 HydrophobicContact CB-CB 4.32Å; F59-V64 HydrophobicContact CB-CG1 4Å; F59-V64 HydrophobicContact CB-CG2 4.44Å; S61-V64 PolarHBondContact O-N 2.99Å; V64-K66 PolarHBondContact O-N 3.48Å; V64-G67 PolarHBondContact O-N 3.4Å; V64-G67 VanDerWaalsContact O-N 3.11Å; V64-V68 HydrophobicContact CG1-CG2 4.39Å; V64-V68 WeakPolarHBondContact O-CG2 3.45Å; V64-V68 PolarHBondContact O-N 3.44Å |
| 65 | K | 92.1 | Very high | 89.8 | Confident | 47 Ų | 47 | 37.5 Ų | 37.5 | 20% | 0.204 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | -178.1 | -69.9 | -177.8 | 176.2 | 176.6 | 0 | 112.6 | M56 F59 S61 T62 V68 V69 Y106 | M56-K65 HydrophobicContact CE-CB 3.35Å; M56-K65 HydrophobicContact CE-CD 4.24Å; M56-K65 HydrophobicContact CE-CG 3.45Å; M56-K65 VanDerWaalsContact CE-CG 3.45Å; M56-K65 WeakPolarHBondContact CE-O 3.49Å; F59-K65 WeakPolarHBondContact O-CE 3.28Å; S61-K65 WeakPolarHBondContact O-CG 3.29Å; S61-K65 PolarHBondContact O-N 2.96Å; T62-K65 PolarHBondContact O-N 3.36Å; K65-V68 PolarHBondContact O-N 2.93Å; K65-V69 WeakPolarHBondContact O-CG2 3.44Å; K65-V69 PolarHBondContact O-N 2.92Å; K65-V69 VanDerWaalsContact O-N 3.09Å; K65-Y106 HydrophobicContact CB-CD2 3.86Å; K65-Y106 HydrophobicContact CB-CE1 4.49Å; K65-Y106 HydrophobicContact CB-CE2 3.47Å; K65-Y106 VanDerWaalsContact CB-CE2 3.47Å; K65-Y106 HydrophobicContact CD-CE1 4.31Å |
| 66 | K | 93.5 | Very high | 90.4 | Very high | 80 Ų | 80 | 37.4 Ų | 37.4 | 35% | 0.348 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.8 | -44.7 | 174.1 | -177 | -176.4 | -179.1 | -177.5 | 0 | 111.4 | T62 A63 V64 V68 V69 A70 D105 Y106 A109 | T62-K66 VanDerWaalsContact O-CB 3.23Å; T62-K66 WeakPolarHBondContact O-CB 3.22Å; T62-K66 PolarHBondContact O-N 3.04Å; A63-K66 PolarHBondContact O-N 3.37Å; V64-K66 PolarHBondContact O-N 3.48Å; K66-V68 PolarHBondContact O-N 3.18Å; K66-V69 PolarHBondContact O-N 3.32Å; K66-A70 WeakPolarHBondContact O-CB 3.35Å; K66-A70 PolarHBondContact O-N 3.29Å; K66-D105 HydrophobicContact CD-CB 4.22Å; K66-D105 IonicContact NZ-OD2 3.62Å; K66-D105 PolarHBondContact NZ-OD2 2.72Å; K66-Y106 HydrophobicContact CB-CD2 4.28Å; K66-A109 HydrophobicContact CG-CB 4.03Å |
| 67 | G | 93.8 | Very high | 90.9 | Very high | 8 Ų | 8 | 43.6 Ų | 43.6 | 8% | 0.082 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.2 | -46.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | I25 A63 V64 A70 A71 | I25-G67 VanDerWaalsContact CG2-C 3.42Å; I25-G67 WeakPolarHBondContact CG2-O 3.37Å; A63-G67 PolarHBondContact O-N 3.01Å; V64-G67 PolarHBondContact O-N 3.4Å; V64-G67 VanDerWaalsContact O-N 3.11Å; G67-A70 PolarHBondContact O-N 2.87Å; G67-A71 PolarHBondContact O-N 3.13Å |
| 68 | V | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.8 | -51.9 | 177.3 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | I25 L51 V55 M56 V64 K65 K66 A70 A71 L72 | I25-V68 HydrophobicContact CD1-CG2 3.7Å; I25-V68 HydrophobicContact CG1-CG2 4.48Å; L51-V68 HydrophobicContact CB-CG1 3.84Å; L51-V68 HydrophobicContact CD2-CG2 4.31Å; V55-V68 HydrophobicContact CB-CG2 4.37Å; V55-V68 HydrophobicContact CG1-CG2 3.8Å; M56-V68 HydrophobicContact CE-CB 4.32Å; M56-V68 HydrophobicContact CG-CB 4.08Å; M56-V68 HydrophobicContact CG-CG1 3.56Å; M56-V68 HydrophobicContact CG-CG2 4.32Å; M56-V68 HydrophobicContact SD-CB 4.07Å; M56-V68 HydrophobicContact SD-CG1 3.65Å; V64-V68 HydrophobicContact CG1-CG2 4.39Å; V64-V68 WeakPolarHBondContact O-CG2 3.45Å; V64-V68 PolarHBondContact O-N 3.44Å; K65-V68 PolarHBondContact O-N 2.93Å; K66-V68 PolarHBondContact O-N 3.18Å; V68-A70 VanDerWaalsContact C-N 3.26Å; V68-A70 PolarHBondContact O-N 2.82Å; V68-A71 WeakPolarHBondContact O-CB 3.49Å; V68-A71 PolarHBondContact O-N 3.04Å; V68-L72 HydrophobicContact CG1-CD1 4.09Å; V68-L72 HydrophobicContact CG1-CG 4.32Å; V68-L72 WeakPolarHBondContact O-CG 3.26Å; V68-L72 PolarHBondContact O-N 3.01Å |
| 69 | V | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.6 | -37.8 | -179.4 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | M56 K65 K66 L72 T73 L95 Y106 A109 C113 | M56-V69 HydrophobicContact CE-CG2 4.27Å; M56-V69 HydrophobicContact SD-CG2 4.15Å; K65-V69 WeakPolarHBondContact O-CG2 3.44Å; K65-V69 PolarHBondContact O-N 2.92Å; K65-V69 VanDerWaalsContact O-N 3.09Å; K66-V69 PolarHBondContact O-N 3.32Å; V69-L72 PolarHBondContact O-N 2.92Å; V69-T73 WeakPolarHBondContact O-CB 3.21Å; V69-T73 PolarHBondContact O-N 3.4Å; V69-T73 PolarHBondContact O-OG1 3.26Å; V69-L95 HydrophobicContact CG1-CD2 4.29Å; V69-Y106 HydrophobicContact CG2-CE2 3.83Å; V69-A109 HydrophobicContact CB-CB 4.45Å; V69-A109 HydrophobicContact CG1-CB 4.09Å; V69-A109 VanDerWaalsContact CG1-O 3.27Å; V69-A109 WeakPolarHBondContact CG1-O 3.1Å; V69-C113 HydrophobicContact CG1-CB 3.63Å |
| 70 | A | 95.2 | Very high | 92.3 | Very high | 29 Ų | 29 | 34.8 Ų | 34.8 | 24% | 0.24 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K66 G67 V68 T73 L74 | K66-A70 WeakPolarHBondContact O-CB 3.35Å; K66-A70 PolarHBondContact O-N 3.29Å; G67-A70 PolarHBondContact O-N 2.87Å; V68-A70 VanDerWaalsContact C-N 3.26Å; V68-A70 PolarHBondContact O-N 2.82Å; A70-T73 WeakPolarHBondContact O-CB 3.35Å; A70-T73 PolarHBondContact O-N 3.08Å; A70-L74 WeakPolarHBondContact O-CG 3.32Å; A70-L74 PolarHBondContact O-N 2.93Å |
| 71 | A | 95 | Very high | 93 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I25 K29 I32 L51 G67 V68 T73 L74 F75 | I25-A71 HydrophobicContact CG2-CB 4.4Å; K29-A71 HydrophobicContact CG-CB 3.89Å; I32-A71 HydrophobicContact CD1-CB 4.35Å; L51-A71 HydrophobicContact CD1-CB 4.4Å; G67-A71 PolarHBondContact O-N 3.13Å; V68-A71 WeakPolarHBondContact O-CB 3.49Å; V68-A71 PolarHBondContact O-N 3.04Å; A71-T73 VanDerWaalsContact C-N 3.32Å; A71-T73 PolarHBondContact O-N 2.98Å; A71-L74 PolarHBondContact O-N 3.02Å; A71-F75 WeakPolarHBondContact O-CB 3.37Å; A71-F75 PolarHBondContact O-N 3.34Å |
| 72 | L | 96 | Very high | 93.3 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62 | -39.9 | 175.5 | -62.7 | 178.8 | 0 | 0 | 0 | 111.7 | P48 L51 V68 V69 L74 F75 G76 L86 L91 | P48-L72 HydrophobicContact CB-CD2 3.97Å; L51-L72 HydrophobicContact CB-CD2 4.3Å; L51-L72 HydrophobicContact CD1-CD2 4.02Å; V68-L72 HydrophobicContact CG1-CD1 4.09Å; V68-L72 HydrophobicContact CG1-CG 4.32Å; V68-L72 WeakPolarHBondContact O-CG 3.26Å; V68-L72 PolarHBondContact O-N 3.01Å; V69-L72 PolarHBondContact O-N 2.92Å; L72-L74 PolarHBondContact O-N 3.34Å; L72-F75 WeakPolarHBondContact O-CB 3.3Å; L72-F75 PolarHBondContact O-N 3.17Å; L72-G76 PolarHBondContact O-N 3.12Å; L72-L86 HydrophobicContact CD2-CD2 3.85Å; L72-L86 WeakPolarHBondContact O-CD1 3.26Å; L72-L91 HydrophobicContact CD1-CD1 3.85Å |
| 73 | T | 96.3 | Very high | 93.6 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.7 | -46 | 174.9 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | V69 A70 A71 F75 R77 C113 M116 | V69-T73 WeakPolarHBondContact O-CB 3.21Å; V69-T73 PolarHBondContact O-N 3.4Å; V69-T73 PolarHBondContact O-OG1 3.26Å; A70-T73 WeakPolarHBondContact O-CB 3.35Å; A70-T73 PolarHBondContact O-N 3.08Å; A71-T73 VanDerWaalsContact C-N 3.32Å; A71-T73 PolarHBondContact O-N 2.98Å; T73-F75 VanDerWaalsContact C-N 3.31Å; T73-F75 PolarHBondContact O-N 3.4Å; T73-R77 WeakPolarHBondContact O-CG 3.43Å; T73-R77 PolarHBondContact O-N 3.07Å; T73-C113 WeakPolarHBondContact OG1-CA 3.32Å; T73-C113 WeakPolarHBondContact OG1-CB 3.38Å; T73-C113 PolarHBondContact OG1-SG 3.4Å; T73-C113 VanDerWaalsContact OG1-SG 3.39Å; T73-M116 HydrophobicContact CG2-CB 4.17Å; T73-M116 HydrophobicContact CG2-CG 4.49Å |
| 74 | L | 95.3 | Very high | 93.8 | Very high | 33 Ų | 33 | 32.6 Ų | 32.6 | 17% | 0.173 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68 | -32 | 178.4 | -72.3 | 171 | 0 | 0 | 0 | 112.7 | K29 I32 I33 R39 A70 A71 L72 | K29-L74 HydrophobicContact CB-CD1 3.91Å; K29-L74 HydrophobicContact CG-CD1 3.96Å; I32-L74 HydrophobicContact CG2-CB 3.73Å; I32-L74 VanDerWaalsContact CG2-O 3.3Å; I32-L74 WeakPolarHBondContact CG2-O 3.32Å; I33-L74 HydrophobicContact CD1-CD1 4.05Å; I33-L74 HydrophobicContact CD1-CD2 4.47Å; I33-L74 HydrophobicContact CG1-CD1 4.16Å; I33-L74 HydrophobicContact CG1-CD2 4.21Å; R39-L74 PolarHBondContact NE-O 3.1Å; R39-L74 PolarHBondContact NH2-O 2.89Å; R39-L74 VanDerWaalsContact NH2-O 3.08Å; A70-L74 WeakPolarHBondContact O-CG 3.32Å; A70-L74 PolarHBondContact O-N 2.93Å; A71-L74 PolarHBondContact O-N 3.02Å; L72-L74 PolarHBondContact O-N 3.34Å |
| 75 | F | 95.8 | Very high | 94 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.6 | -54.6 | 176.3 | 177.6 | -90.9 | 0 | 0 | 0 | 110.2 | I32 R39 I42 H43 P48 A71 L72 T73 R77 G78 F82 L86 | I32-F75 HydrophobicContact CD1-CB 4.26Å; I32-F75 HydrophobicContact CG2-CB 4.37Å; R39-F75 HydrophobicContact CB-CD2 4.32Å; R39-F75 HydrophobicContact CB-CE2 4.21Å; R39-F75 WeakPolarHBondContact CD-O 3.34Å; R39-F75 HydrophobicContact CG-CD2 4.39Å; R39-F75 PolarHBondContact NE-O 3.23Å; R39-F75 WeakPolarHBondContact O-CE2 3.41Å; I42-F75 HydrophobicContact CB-CE2 4.22Å; I42-F75 HydrophobicContact CG2-CD2 3.91Å; I42-F75 HydrophobicContact CG2-CE2 3.85Å; H43-F75 HydrophobicContact CB-CE2 4.13Å; H43-F75 HydrophobicContact CB-CZ 3.78Å; P48-F75 HydrophobicContact CG-CD1 4.24Å; P48-F75 HydrophobicContact CG-CD2 4.39Å; P48-F75 HydrophobicContact CG-CE1 3.91Å; P48-F75 HydrophobicContact CG-CE2 4.06Å; P48-F75 HydrophobicContact CG-CG 4.46Å; P48-F75 HydrophobicContact CG-CZ 3.81Å; A71-F75 WeakPolarHBondContact O-CB 3.37Å; A71-F75 PolarHBondContact O-N 3.34Å; L72-F75 WeakPolarHBondContact O-CB 3.3Å; L72-F75 PolarHBondContact O-N 3.17Å; T73-F75 VanDerWaalsContact C-N 3.31Å; T73-F75 PolarHBondContact O-N 3.4Å; F75-R77 VanDerWaalsContact C-N 3.25Å; F75-R77 PolarHBondContact O-N 2.98Å; F75-G78 PolarHBondContact O-N 3.46Å; F75-G78 VanDerWaalsContact O-N 3.14Å; F75-F82 HydrophobicContact CD1-CB 4.12Å; F75-F82 HydrophobicContact CE1-CB 3.72Å; F75-F82 HydrophobicContact CE1-CD1 4Å; F75-F82 HydrophobicContact CE1-CG 4.16Å; F75-F82 HydrophobicContact CE2-CD1 4.32Å; F75-F82 HydrophobicContact CZ-CB 4.23Å; F75-F82 AromaticContact CZ-CD1 3.64Å; F75-F82 HydrophobicContact CZ-CD1 3.64Å; F75-F82 HydrophobicContact CZ-CE1 4.36Å; F75-F82 HydrophobicContact CZ-CG 4.16Å; F75-L86 HydrophobicContact CD1-CD1 3.99Å; F75-L86 HydrophobicContact CD1-CD2 3.96Å; F75-L86 HydrophobicContact CD1-CG 3.95Å; F75-L86 HydrophobicContact CE1-CD2 4.25Å; F75-L86 HydrophobicContact CE1-CG 4.22Å |
| 76 | G | 94.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.9 | -25.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L72 G78 M116 | L72-G76 PolarHBondContact O-N 3.12Å; G76-G78 PolarHBondContact O-N 2.94Å; G76-G78 VanDerWaalsContact O-N 3.08Å; G76-M116 VanDerWaalsContact C-SD 3.52Å |
| 77 | R | 92.8 | Very high | 94.3 | Very high | 138 Ų | 138 | 29.1 Ų | 29.1 | 52% | 0.521 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -10.1 | 174.4 | -77.1 | 178 | -168.1 | -176.4 | 5.4 | 114.8 | T73 F75 M116 | T73-R77 WeakPolarHBondContact O-CG 3.43Å; T73-R77 PolarHBondContact O-N 3.07Å; F75-R77 VanDerWaalsContact C-N 3.25Å; F75-R77 PolarHBondContact O-N 2.98Å; R77-M116 HydrophobicContact CG-CG 3.72Å |
| 78 | G | 87.9 | Confident | 94.3 | Very high | 16 Ų | 16 | 34.1 Ų | 34.1 | 17% | 0.165 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -42.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N36 F75 G76 | N36-G78 PolarHBondContact ND2-O 2.67Å; N36-G78 WeakPolarHBondContact OD1-CA 3.43Å; F75-G78 PolarHBondContact O-N 3.46Å; F75-G78 VanDerWaalsContact O-N 3.14Å; G76-G78 PolarHBondContact O-N 2.94Å; G76-G78 VanDerWaalsContact O-N 3.08Å |
| 79 | S | 89.5 | Confident | 94.1 | Very high | 27 Ų | 27 | 38.5 Ų | 38.5 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | trans | -163.8 | 160.8 | 177.8 | 69.1 | 0 | 0 | 0 | 0 | 109.9 | D81 F82 A83 | S79-D81 PolarHBondContact O-N 3.43Å; S79-D81 PolarHBondContact OG-N 3.31Å; S79-F82 PolarHBondContact O-N 2.88Å; S79-F82 WeakPolarHBondContact OG-CD2 3.08Å; S79-F82 PolarHBondContact OG-N 2.88Å; S79-A83 PolarHBondContact O-N 2.98Å | ||
| 80 | P | 90.7 | Very high | 94 | Very high | 73 Ų | 73 | 40.1 Ų | 40.1 | 47% | 0.474 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -54.8 | -34.2 | 171.6 | -26.2 | 36 | 0 | 0 | 0 | 113.3 | F82 A83 H84 | P80-F82 PolarHBondContact O-N 3.35Å; P80-A83 WeakPolarHBondContact O-CB 3.38Å; P80-A83 PolarHBondContact O-N 3.02Å; P80-H84 WeakPolarHBondContact O-CB 3.27Å; P80-H84 PolarHBondContact O-N 3.25Å |
| 81 | D | 93.2 | Very high | 94 | Very high | 122 Ų | 122 | 38.8 Ų | 38.8 | 65% | 0.652 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -64.3 | -40.7 | 179.1 | -53 | -39.3 | 0 | 0 | 0 | 112.5 | S79 A83 H84 S85 | S79-D81 PolarHBondContact O-N 3.43Å; S79-D81 PolarHBondContact OG-N 3.31Å; D81-A83 VanDerWaalsContact C-N 3.33Å; D81-H84 PolarHBondContact O-N 3.21Å; D81-S85 PolarHBondContact O-N 3.15Å |
| 82 | F | 95.2 | Very high | 94 | Very high | 14 Ų | 14 | 40 Ų | 40 | 6% | 0.061 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.8 | -33.7 | 175.2 | -65.7 | -48.4 | 0 | 0 | 0 | 111.9 | N36 R39 Q40 H43 F75 S79 P80 S85 L86 | N36-F82 HydrophobicContact CB-CE2 4.42Å; R39-F82 HydrophobicContact CB-CD2 4.15Å; R39-F82 HydrophobicContact CB-CE1 4.19Å; R39-F82 HydrophobicContact CB-CE2 3.67Å; R39-F82 HydrophobicContact CB-CZ 3.69Å; R39-F82 HydrophobicContact CG-CE2 4.48Å; Q40-F82 HydrophobicContact CB-CZ 4.33Å; H43-F82 HydrophobicContact CB-CE1 4.25Å; F75-F82 HydrophobicContact CD1-CB 4.12Å; F75-F82 HydrophobicContact CE1-CB 3.72Å; F75-F82 HydrophobicContact CE1-CD1 4Å; F75-F82 HydrophobicContact CE1-CG 4.16Å; F75-F82 HydrophobicContact CE2-CD1 4.32Å; F75-F82 HydrophobicContact CZ-CB 4.23Å; F75-F82 AromaticContact CZ-CD1 3.64Å; F75-F82 HydrophobicContact CZ-CD1 3.64Å; F75-F82 HydrophobicContact CZ-CE1 4.36Å; F75-F82 HydrophobicContact CZ-CG 4.16Å; S79-F82 PolarHBondContact O-N 2.88Å; S79-F82 WeakPolarHBondContact OG-CD2 3.08Å; S79-F82 PolarHBondContact OG-N 2.88Å; P80-F82 PolarHBondContact O-N 3.35Å; F82-S85 PolarHBondContact O-OG 3.31Å; F82-L86 WeakPolarHBondContact O-CG 3.37Å; F82-L86 PolarHBondContact O-N 3.27Å |
| 83 | A | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.3 | -42.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | S79 P80 D81 S85 L86 V87 M116 L117 A120 Q122 | S79-A83 PolarHBondContact O-N 2.98Å; P80-A83 WeakPolarHBondContact O-CB 3.38Å; P80-A83 PolarHBondContact O-N 3.02Å; D81-A83 VanDerWaalsContact C-N 3.33Å; A83-S85 PolarHBondContact O-N 3.45Å; A83-L86 WeakPolarHBondContact O-CB 3.27Å; A83-L86 PolarHBondContact O-N 2.96Å; A83-V87 PolarHBondContact O-N 3.38Å; A83-M116 HydrophobicContact CB-SD 4Å; A83-L117 HydrophobicContact CB-CD2 4.16Å; A83-A120 HydrophobicContact CB-CB 3.51Å; A83-Q122 HydrophobicContact CB-CB 4.36Å; A83-Q122 HydrophobicContact CB-CG 3.75Å |
| 84 | H | 96.3 | Very high | 93.6 | Very high | 85 Ų | 85 | 45.6 Ų | 45.6 | 39% | 0.394 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 177.2 | -178.2 | -86.3 | 0 | 0 | 0 | 111.8 | P80 D81 L86 V87 N88 Q122 | P80-H84 WeakPolarHBondContact O-CB 3.27Å; P80-H84 PolarHBondContact O-N 3.25Å; D81-H84 PolarHBondContact O-N 3.21Å; H84-L86 VanDerWaalsContact C-N 3.27Å; H84-L86 PolarHBondContact O-N 3.03Å; H84-V87 WeakPolarHBondContact O-CB 3.38Å; H84-V87 PolarHBondContact O-N 2.58Å; H84-N88 PolarHBondContact CE1-ND2 3.2Å; H84-N88 PolarHBondContact ND1-ND2 3.3Å; H84-N88 PolarHBondContact O-N 3.43Å; H84-N88 VanDerWaalsContact O-N 3.08Å; H84-Q122 HydrophobicContact CB-CG 4.4Å; H84-Q122 PolarHBondContact CD2-OE1 3.29Å; H84-Q122 VanDerWaalsContact CD2-OE1 3.25Å |
| 85 | S | 95.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 44 Ų | 44 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.9 | -38.8 | 176.1 | 71.8 | 0 | 0 | 0 | 0 | 111.8 | H43 D81 F82 A83 V87 N88 E89 | H43-S85 VanDerWaalsContact NE2-CB 3.3Å; H43-S85 WeakPolarHBondContact NE2-CB 3.45Å; D81-S85 PolarHBondContact O-N 3.15Å; F82-S85 PolarHBondContact O-OG 3.31Å; A83-S85 PolarHBondContact O-N 3.45Å; S85-V87 VanDerWaalsContact C-N 3.31Å; S85-V87 PolarHBondContact O-N 2.71Å; S85-N88 WeakPolarHBondContact O-CB 3.26Å; S85-N88 PolarHBondContact O-N 3.03Å; S85-E89 WeakPolarHBondContact O-CG 3.27Å; S85-E89 PolarHBondContact O-N 3.44Å |
| 86 | L | 95.7 | Very high | 93.6 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.7 | -35.6 | 175.2 | -67.2 | 175.5 | 0 | 0 | 0 | 112.8 | P48 L72 F75 F82 A83 H84 N88 E89 L91 M116 | P48-L86 HydrophobicContact CB-CD2 3.58Å; P48-L86 HydrophobicContact CG-CD2 4.26Å; L72-L86 HydrophobicContact CD2-CD2 3.85Å; L72-L86 WeakPolarHBondContact O-CD1 3.26Å; F75-L86 HydrophobicContact CD1-CD1 3.99Å; F75-L86 HydrophobicContact CD1-CD2 3.96Å; F75-L86 HydrophobicContact CD1-CG 3.95Å; F75-L86 HydrophobicContact CE1-CD2 4.25Å; F75-L86 HydrophobicContact CE1-CG 4.22Å; F82-L86 WeakPolarHBondContact O-CG 3.37Å; F82-L86 PolarHBondContact O-N 3.27Å; A83-L86 WeakPolarHBondContact O-CB 3.27Å; A83-L86 PolarHBondContact O-N 2.96Å; H84-L86 VanDerWaalsContact C-N 3.27Å; H84-L86 PolarHBondContact O-N 3.03Å; L86-N88 VanDerWaalsContact C-N 3.33Å; L86-E89 PolarHBondContact O-N 3.03Å; L86-L91 HydrophobicContact CB-CB 4.3Å; L86-L91 HydrophobicContact CB-CD2 3.71Å; L86-L91 HydrophobicContact CD1-CD2 3.9Å; L86-L91 HydrophobicContact CD2-CD2 4.39Å; L86-L91 HydrophobicContact CG-CD2 4.23Å; L86-L91 WeakPolarHBondContact O-CB 3.48Å; L86-L91 PolarHBondContact O-N 2.9Å; L86-M116 HydrophobicContact CD1-CE 3.97Å |
| 87 | V | 95.6 | Very high | 93.4 | Very high | 38 Ų | 38 | 48.2 Ų | 48.2 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63 | -42.6 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | A83 H84 S85 E89 G90 I92 L117 Q122 | A83-V87 PolarHBondContact O-N 3.38Å; H84-V87 WeakPolarHBondContact O-CB 3.38Å; H84-V87 PolarHBondContact O-N 2.58Å; S85-V87 VanDerWaalsContact C-N 3.31Å; S85-V87 PolarHBondContact O-N 2.71Å; V87-E89 PolarHBondContact O-N 3.06Å; V87-G90 WeakPolarHBondContact O-CA 3.47Å; V87-G90 PolarHBondContact O-N 3.44Å; V87-I92 HydrophobicContact CB-CD1 4.3Å; V87-I92 HydrophobicContact CG1-CD1 3.66Å; V87-I92 HydrophobicContact CG1-CG1 4.4Å; V87-I92 HydrophobicContact CG2-CD1 3.74Å; V87-I92 HydrophobicContact CG2-CG1 4.09Å; V87-L117 HydrophobicContact CG2-CD2 4.03Å; V87-Q122 HydrophobicContact CG2-CB 3.93Å |
| 88 | N | 93.3 | Very high | 93.4 | Very high | 113 Ų | 113 | 44 Ų | 44 | 60% | 0.604 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61.6 | -31.6 | 177.1 | -70.4 | -15.4 | 0 | 0 | 0 | 113.1 | H84 S85 L86 G90 | H84-N88 PolarHBondContact CE1-ND2 3.2Å; H84-N88 PolarHBondContact ND1-ND2 3.3Å; H84-N88 PolarHBondContact O-N 3.43Å; H84-N88 VanDerWaalsContact O-N 3.08Å; S85-N88 WeakPolarHBondContact O-CB 3.26Å; S85-N88 PolarHBondContact O-N 3.03Å; L86-N88 VanDerWaalsContact C-N 3.33Å; N88-G90 PolarHBondContact O-N 3.21Å |
| 89 | E | 91.6 | Very high | 93.7 | Very high | 92 Ų | 92 | 44 Ų | 44 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -1.4 | 173.7 | -62.5 | -61.2 | 159.7 | 0 | 0 | 113.2 | A49 L52 S85 L86 V87 | A49-E89 HydrophobicContact CB-CG 4.4Å; A49-E89 VanDerWaalsContact CB-OE2 3.23Å; A49-E89 WeakPolarHBondContact CB-OE2 3.31Å; L52-E89 HydrophobicContact CD2-CB 4.18Å; L52-E89 WeakPolarHBondContact CD2-O 3.26Å; S85-E89 WeakPolarHBondContact O-CG 3.27Å; S85-E89 PolarHBondContact O-N 3.44Å; L86-E89 PolarHBondContact O-N 3.03Å; V87-E89 PolarHBondContact O-N 3.06Å |
| 90 | G | 92.7 | Very high | 93.8 | Very high | 33 Ų | 33 | 46.1 Ų | 46.1 | 34% | 0.34 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | 18.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V87 N88 I92 S93 F94 | V87-G90 WeakPolarHBondContact O-CA 3.47Å; V87-G90 PolarHBondContact O-N 3.44Å; N88-G90 PolarHBondContact O-N 3.21Å; G90-I92 VanDerWaalsContact C-N 3.33Å; G90-I92 PolarHBondContact O-N 3.09Å; G90-S93 PolarHBondContact O-N 3.3Å; G90-F94 PolarHBondContact O-N 3.27Å |
| 91 | L | 95.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60 | -37 | -174.8 | -176.9 | 60.8 | 0 | 0 | 0 | 113.4 | L52 L72 L86 F94 L95 L117 | L52-L91 HydrophobicContact CD1-CD1 3.91Å; L52-L91 HydrophobicContact CD2-CB 4.38Å; L52-L91 HydrophobicContact CD2-CD1 4.48Å; L72-L91 HydrophobicContact CD1-CD1 3.85Å; L86-L91 HydrophobicContact CB-CB 4.3Å; L86-L91 HydrophobicContact CB-CD2 3.71Å; L86-L91 HydrophobicContact CD1-CD2 3.9Å; L86-L91 HydrophobicContact CD2-CD2 4.39Å; L86-L91 HydrophobicContact CG-CD2 4.23Å; L86-L91 WeakPolarHBondContact O-CB 3.48Å; L86-L91 PolarHBondContact O-N 2.9Å; L91-F94 HydrophobicContact CD1-CD1 4.32Å; L91-F94 WeakPolarHBondContact O-CB 3.4Å; L91-F94 PolarHBondContact O-N 3.13Å; L91-L95 HydrophobicContact CD1-CD1 4.15Å; L91-L95 HydrophobicContact CD1-CD2 4.18Å; L91-L95 HydrophobicContact CD1-CG 3.85Å; L91-L95 HydrophobicContact CD2-CD1 4.28Å; L91-L95 HydrophobicContact CG-CD1 3.8Å; L91-L95 HydrophobicContact CG-CG 3.99Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 VanDerWaalsContact O-CG 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.46Å; L91-L95 PolarHBondContact O-N 3.39Å; L91-L117 HydrophobicContact CD2-CD1 4.37Å |
| 92 | I | 94.8 | Very high | 93.6 | Very high | 26 Ų | 26 | 49.9 Ų | 49.9 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.8 | -54.7 | -179 | -67 | 171 | 0 | 0 | 0 | 110.6 | V87 G90 F94 L95 L96 L117 Q122 P124 | V87-I92 HydrophobicContact CB-CD1 4.3Å; V87-I92 HydrophobicContact CG1-CD1 3.66Å; V87-I92 HydrophobicContact CG1-CG1 4.4Å; V87-I92 HydrophobicContact CG2-CD1 3.74Å; V87-I92 HydrophobicContact CG2-CG1 4.09Å; G90-I92 VanDerWaalsContact C-N 3.33Å; G90-I92 PolarHBondContact O-N 3.09Å; I92-F94 PolarHBondContact O-N 3.08Å; I92-L95 PolarHBondContact O-N 3.37Å; I92-L96 HydrophobicContact CG2-CD1 3.71Å; I92-L96 HydrophobicContact CG2-CG 4.21Å; I92-L96 VanDerWaalsContact O-CG 3.27Å; I92-L96 WeakPolarHBondContact O-CG 3.18Å; I92-L96 PolarHBondContact O-N 3.41Å; I92-L117 HydrophobicContact CG1-CD1 3.82Å; I92-Q122 WeakPolarHBondContact CD1-O 3.44Å; I92-P124 HydrophobicContact CG2-CG 3.93Å |
| 93 | S | 92.6 | Very high | 93.4 | Very high | 84 Ų | 84 | 52.5 Ų | 52.5 | 59% | 0.587 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -57.7 | -40.4 | -179.6 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | G90 S97 | G90-S93 PolarHBondContact O-N 3.3Å; S93-S97 PolarHBondContact O-N 2.92Å |
| 94 | F | 92.8 | Very high | 93.2 | Very high | 43 Ų | 43 | 54.4 Ų | 54.4 | 19% | 0.189 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -58.5 | 173.5 | 178.5 | -96.1 | 0 | 0 | 0 | 111.4 | L52 M56 G90 L91 I92 L96 S97 Q98 | L52-F94 HydrophobicContact CD1-CB 4.06Å; L52-F94 HydrophobicContact CD1-CD1 3.61Å; L52-F94 HydrophobicContact CD1-CD2 4.12Å; L52-F94 HydrophobicContact CD1-CE1 4.07Å; L52-F94 HydrophobicContact CD1-CG 3.64Å; M56-F94 HydrophobicContact CB-CZ 4.2Å; M56-F94 HydrophobicContact CE-CE1 4.17Å; M56-F94 HydrophobicContact CE-CZ 3.84Å; M56-F94 HydrophobicContact CG-CZ 4.36Å; M56-F94 HydrophobicContact SD-CD1 4.49Å; M56-F94 HydrophobicContact SD-CE1 3.41Å; M56-F94 WeakPolarHBondContact SD-CE1 3.37Å; M56-F94 HydrophobicContact SD-CE2 4.42Å; M56-F94 HydrophobicContact SD-CZ 3.36Å; M56-F94 WeakPolarHBondContact SD-CZ 3.49Å; G90-F94 PolarHBondContact O-N 3.27Å; L91-F94 HydrophobicContact CD1-CD1 4.32Å; L91-F94 WeakPolarHBondContact O-CB 3.4Å; L91-F94 PolarHBondContact O-N 3.13Å; I92-F94 PolarHBondContact O-N 3.08Å; F94-L96 VanDerWaalsContact C-N 3.31Å; F94-L96 PolarHBondContact O-N 3.21Å; F94-S97 WeakPolarHBondContact O-CB 3.4Å; F94-S97 PolarHBondContact O-N 3.33Å; F94-S97 PolarHBondContact O-OG 3.48Å; F94-Q98 HydrophobicContact CD1-CG 4.31Å; F94-Q98 HydrophobicContact CE1-CG 3.87Å; F94-Q98 HydrophobicContact CE2-CG 4.18Å; F94-Q98 HydrophobicContact CZ-CG 3.79Å; F94-Q98 WeakPolarHBondContact O-CG 3.43Å; F94-Q98 PolarHBondContact O-N 3.27Å |
| 95 | L | 95 | Very high | 93.1 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.9 | -45.3 | -177.3 | -70.4 | 174.5 | 0 | 0 | 0 | 112.3 | V69 L91 I92 S97 Q98 C110 C113 L114 L117 | V69-L95 HydrophobicContact CG1-CD2 4.29Å; L91-L95 HydrophobicContact CD1-CD1 4.15Å; L91-L95 HydrophobicContact CD1-CD2 4.18Å; L91-L95 HydrophobicContact CD1-CG 3.85Å; L91-L95 HydrophobicContact CD2-CD1 4.28Å; L91-L95 HydrophobicContact CG-CD1 3.8Å; L91-L95 HydrophobicContact CG-CG 3.99Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 VanDerWaalsContact O-CG 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.46Å; L91-L95 PolarHBondContact O-N 3.39Å; I92-L95 PolarHBondContact O-N 3.37Å; L95-S97 VanDerWaalsContact C-N 3.28Å; L95-S97 PolarHBondContact O-N 3.3Å; L95-Q98 PolarHBondContact O-N 3.2Å; L95-Q98 VanDerWaalsContact O-N 3.09Å; L95-C110 HydrophobicContact CD2-CB 3.99Å; L95-C113 HydrophobicContact CD1-CB 3.94Å; L95-C113 HydrophobicContact CD2-CB 4.04Å; L95-L114 HydrophobicContact CD1-CB 4.39Å; L95-L117 HydrophobicContact CD1-CD1 4.04Å |
| 96 | L | 94.4 | Very high | 93 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.3 | -34.7 | 179.9 | -62.1 | 175.1 | 0 | 0 | 0 | 112.1 | I92 F94 Q98 L99 L114 L127 K131 V134 | I92-L96 HydrophobicContact CG2-CD1 3.71Å; I92-L96 HydrophobicContact CG2-CG 4.21Å; I92-L96 VanDerWaalsContact O-CG 3.27Å; I92-L96 WeakPolarHBondContact O-CG 3.18Å; I92-L96 PolarHBondContact O-N 3.41Å; F94-L96 VanDerWaalsContact C-N 3.31Å; F94-L96 PolarHBondContact O-N 3.21Å; L96-Q98 PolarHBondContact O-N 3.04Å; L96-L99 HydrophobicContact CD2-CD1 4.43Å; L96-L99 PolarHBondContact O-N 3.48Å; L96-L114 HydrophobicContact CD2-CD1 4.49Å; L96-L114 HydrophobicContact CD2-CD2 3.97Å; L96-L127 HydrophobicContact CD1-CD1 3.95Å; L96-L127 HydrophobicContact CD2-CD1 3.87Å; L96-L127 HydrophobicContact CD2-CD2 4.39Å; L96-K131 HydrophobicContact CD1-CD 4.25Å; L96-V134 HydrophobicContact CD2-CG1 3.91Å |
| 97 | S | 91.9 | Very high | 93 | Very high | 76 Ų | 76 | 55 Ų | 55 | 53% | 0.531 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.9 | -20.3 | 176.2 | 75.8 | 0 | 0 | 0 | 0 | 113.8 | S93 F94 L95 | S93-S97 PolarHBondContact O-N 2.92Å; F94-S97 WeakPolarHBondContact O-CB 3.4Å; F94-S97 PolarHBondContact O-N 3.33Å; F94-S97 PolarHBondContact O-OG 3.48Å; L95-S97 VanDerWaalsContact C-N 3.28Å; L95-S97 PolarHBondContact O-N 3.3Å |
| 98 | Q | 92.1 | Very high | 92.9 | Very high | 50 Ų | 50 | 54 Ų | 54 | 23% | 0.234 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -3.8 | -178.2 | -57.9 | -55.5 | -68.7 | 0 | 0 | 112.9 | F94 L95 L96 Y106 | F94-Q98 HydrophobicContact CD1-CG 4.31Å; F94-Q98 HydrophobicContact CE1-CG 3.87Å; F94-Q98 HydrophobicContact CE2-CG 4.18Å; F94-Q98 HydrophobicContact CZ-CG 3.79Å; F94-Q98 WeakPolarHBondContact O-CG 3.43Å; F94-Q98 PolarHBondContact O-N 3.27Å; L95-Q98 PolarHBondContact O-N 3.2Å; L95-Q98 VanDerWaalsContact O-N 3.09Å; L96-Q98 PolarHBondContact O-N 3.04Å; Q98-Y106 HydrophobicContact CB-CE1 4.05Å; Q98-Y106 HydrophobicContact CG-CE1 4.31Å; Q98-Y106 WeakPolarHBondContact CG-OH 3.49Å; Q98-Y106 PolarHBondContact OE1-OH 3.43Å |
| 99 | L | 93.9 | Very high | 93.1 | Very high | 16 Ų | 16 | 49.4 Ų | 49.4 | 8% | 0.084 | 28% | 0.282 | C | S | . | . | trans | -83.1 | 116.1 | 177.4 | -64 | 177.7 | 0 | 0 | 0 | 110 | L96 C110 V111 L114 V134 I137 L138 | L96-L99 HydrophobicContact CD2-CD1 4.43Å; L96-L99 PolarHBondContact O-N 3.48Å; L99-C110 HydrophobicContact CD2-CB 4.03Å; L99-V111 HydrophobicContact CD2-CG2 3.74Å; L99-L114 HydrophobicContact CD1-CD2 4.48Å; L99-V134 HydrophobicContact CD1-CG1 3.7Å; L99-I137 HydrophobicContact CB-CG2 4.25Å; L99-L138 HydrophobicContact CD1-CD2 3.93Å; L99-L138 HydrophobicContact CD1-CG 4.49Å | ||
| 100 | T | 91.3 | Very high | 93.3 | Very high | 71 Ų | 71 | 45 Ų | 45 | 44% | 0.436 | 26% | 0.262 | S | S | . | . | trans | -114.7 | 160.2 | -179.7 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | E102 I137 N141 | T100-E102 PolarHBondContact O-N 2.94Å; T100-E102 PolarHBondContact OG1-O 3.43Å; T100-E102 VanDerWaalsContact OG1-O 3.11Å; T100-I137 VanDerWaalsContact O-CG2 3.27Å; T100-I137 WeakPolarHBondContact O-CG2 3.4Å; T100-N141 PolarHBondContact O-ND2 3.11Å | ||
| 101 | E | 90.2 | Very high | 93.5 | Very high | 117 Ų | 117 | 43.9 Ų | 43.9 | 55% | 0.547 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -65.8 | -25 | 175.3 | -66.8 | -163.4 | 167.7 | 0 | 0 | 114.1 | I137 K140 N141 | E101-I137 HydrophobicContact CG-CG1 4.19Å; E101-K140 HydrophobicContact CB-CD 4.35Å; E101-K140 HydrophobicContact CG-CD 4.48Å; E101-K140 IonicContact OE1-NZ 2.65Å; E101-K140 IonicContact OE2-NZ 2.85Å; E101-K140 PolarHBondContact OE2-NZ 3.1Å; E101-N141 PolarHBondContact O-OD1 3.46Å |
| 102 | E | 90.9 | Very high | 93.6 | Very high | 157 Ų | 157 | 44.6 Ų | 44.6 | 73% | 0.734 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -82.6 | 122.3 | 174.2 | -68.9 | -170.9 | 172.6 | 0 | 0 | 109.8 | T100 | T100-E102 PolarHBondContact O-N 2.94Å; T100-E102 PolarHBondContact OG1-O 3.43Å; T100-E102 VanDerWaalsContact OG1-O 3.11Å |
| 103 | P | 89.8 | Confident | 93.7 | Very high | 68 Ų | 68 | 43.4 Ų | 43.4 | 44% | 0.442 | 25% | 0.248 | S | C | . | . | trans | -73.8 | 137 | -178.8 | 31.8 | -35.7 | 0 | 0 | 0 | 110.3 | N141 F144 | P103-N141 HydrophobicContact CB-CB 4.29Å; P103-F144 HydrophobicContact CB-CB 3.95Å; P103-F144 HydrophobicContact CB-CD2 3.53Å; P103-F144 HydrophobicContact CB-CE2 4.25Å; P103-F144 HydrophobicContact CB-CG 3.9Å; P103-F144 HydrophobicContact CG-CD2 4.14Å | ||
| 104 | S | 93 | Very high | 94 | Very high | 40 Ų | 40 | 39.4 Ų | 39.4 | 28% | 0.28 | 22% | 0.22 | S | C | . | . | trans | -146.6 | 159.3 | 177.6 | 67.1 | 0 | 0 | 0 | 0 | 111.2 | Y106 A107 A108 F144 | S104-Y106 PolarHBondContact O-N 3.41Å; S104-A107 PolarHBondContact O-N 2.88Å; S104-A107 VanDerWaalsContact O-N 3.12Å; S104-A107 WeakPolarHBondContact OG-CB 3.18Å; S104-A107 PolarHBondContact OG-N 2.98Å; S104-A107 VanDerWaalsContact OG-N 3.09Å; S104-A108 PolarHBondContact O-N 3.34Å; S104-F144 VanDerWaalsContact C-CZ 3.44Å | ||
| 105 | D | 93.7 | Very high | 94.2 | Very high | 90 Ų | 90 | 38.8 Ų | 38.8 | 48% | 0.481 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -54.7 | -33.6 | 172.8 | -96.5 | 15.7 | 0 | 0 | 0 | 113.2 | K66 A109 F144 | K66-D105 HydrophobicContact CD-CB 4.22Å; K66-D105 IonicContact NZ-OD2 3.62Å; K66-D105 PolarHBondContact NZ-OD2 2.72Å; D105-A109 PolarHBondContact O-N 3.49Å; D105-A109 VanDerWaalsContact O-N 3.14Å; D105-F144 WeakPolarHBondContact OD1-CZ 3.38Å |
| 106 | Y | 93.6 | Very high | 94.3 | Very high | 18 Ų | 18 | 39 Ų | 39 | 7% | 0.071 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.3 | -46.4 | 176.5 | 174.5 | -123.1 | 0 | 0 | 0 | 111.5 | M56 T62 K65 K66 V69 Q98 S104 A108 A109 C110 | M56-Y106 HydrophobicContact CE-CE2 4.17Å; M56-Y106 WeakPolarHBondContact CE-OH 3.43Å; T62-Y106 HydrophobicContact CG2-CG 4.37Å; K65-Y106 HydrophobicContact CB-CD2 3.86Å; K65-Y106 HydrophobicContact CB-CE1 4.49Å; K65-Y106 HydrophobicContact CB-CE2 3.47Å; K65-Y106 VanDerWaalsContact CB-CE2 3.47Å; K65-Y106 HydrophobicContact CD-CE1 4.31Å; K66-Y106 HydrophobicContact CB-CD2 4.28Å; V69-Y106 HydrophobicContact CG2-CE2 3.83Å; Q98-Y106 HydrophobicContact CB-CE1 4.05Å; Q98-Y106 HydrophobicContact CG-CE1 4.31Å; Q98-Y106 WeakPolarHBondContact CG-OH 3.49Å; Q98-Y106 PolarHBondContact OE1-OH 3.43Å; S104-Y106 PolarHBondContact O-N 3.41Å; Y106-A108 VanDerWaalsContact C-N 3.28Å; Y106-A108 PolarHBondContact O-N 2.79Å; Y106-A109 WeakPolarHBondContact O-CB 3.28Å; Y106-A109 PolarHBondContact O-N 2.58Å; Y106-A109 VanDerWaalsContact O-N 3.09Å; Y106-C110 PolarHBondContact O-N 3.05Å; Y106-C110 PolarHBondContact O-SG 3.19Å |
| 107 | A | 94.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.1 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S104 A109 C110 V111 | S104-A107 PolarHBondContact O-N 2.88Å; S104-A107 VanDerWaalsContact O-N 3.12Å; S104-A107 WeakPolarHBondContact OG-CB 3.18Å; S104-A107 PolarHBondContact OG-N 2.98Å; S104-A107 VanDerWaalsContact OG-N 3.09Å; A107-A109 VanDerWaalsContact C-N 3.33Å; A107-A109 PolarHBondContact O-N 3.36Å; A107-C110 WeakPolarHBondContact O-CB 3.49Å; A107-C110 PolarHBondContact O-N 3.14Å; A107-C110 VanDerWaalsContact O-N 3.1Å; A107-V111 WeakPolarHBondContact O-CG2 3.04Å; A107-V111 PolarHBondContact O-N 3Å |
| 108 | A | 95.4 | Very high | 94.6 | Very high | 19 Ų | 19 | 35.1 Ų | 35.1 | 16% | 0.157 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.8 | -40.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S104 Y106 V111 A112 F144 | S104-A108 PolarHBondContact O-N 3.34Å; Y106-A108 VanDerWaalsContact C-N 3.28Å; Y106-A108 PolarHBondContact O-N 2.79Å; A108-V111 PolarHBondContact O-N 3.4Å; A108-A112 WeakPolarHBondContact O-CB 3.43Å; A108-A112 PolarHBondContact O-N 3.19Å; A108-F144 HydrophobicContact CB-CD1 3.81Å; A108-F144 HydrophobicContact CB-CE1 3.79Å |
| 109 | A | 95.9 | Very high | 94.7 | Very high | 15 Ų | 15 | 36.6 Ų | 36.6 | 12% | 0.124 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.1 | -39.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | K66 V69 D105 Y106 A107 A112 C113 | K66-A109 HydrophobicContact CG-CB 4.03Å; V69-A109 HydrophobicContact CB-CB 4.45Å; V69-A109 HydrophobicContact CG1-CB 4.09Å; V69-A109 VanDerWaalsContact CG1-O 3.27Å; V69-A109 WeakPolarHBondContact CG1-O 3.1Å; D105-A109 PolarHBondContact O-N 3.49Å; D105-A109 VanDerWaalsContact O-N 3.14Å; Y106-A109 WeakPolarHBondContact O-CB 3.28Å; Y106-A109 PolarHBondContact O-N 2.58Å; Y106-A109 VanDerWaalsContact O-N 3.09Å; A107-A109 VanDerWaalsContact C-N 3.33Å; A107-A109 PolarHBondContact O-N 3.36Å; A109-A112 PolarHBondContact O-N 2.85Å; A109-C113 WeakPolarHBondContact O-CB 3.46Å; A109-C113 PolarHBondContact O-N 2.95Å |
| 110 | C | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 174.1 | -67.8 | 0 | 0 | 0 | 0 | 112 | L95 L99 Y106 A107 C113 L114 | L95-C110 HydrophobicContact CD2-CB 3.99Å; L99-C110 HydrophobicContact CD2-CB 4.03Å; Y106-C110 PolarHBondContact O-N 3.05Å; Y106-C110 PolarHBondContact O-SG 3.19Å; A107-C110 WeakPolarHBondContact O-CB 3.49Å; A107-C110 PolarHBondContact O-N 3.14Å; A107-C110 VanDerWaalsContact O-N 3.1Å; C110-C113 WeakPolarHBondContact O-CB 3.43Å; C110-C113 PolarHBondContact O-N 2.98Å; C110-L114 WeakPolarHBondContact O-CB 3.39Å; C110-L114 PolarHBondContact O-N 3.04Å |
| 111 | V | 97.1 | Very high | 94.9 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62 | -44.5 | 174.9 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | L99 A107 A108 C113 L114 R115 L138 D151 V152 I155 | L99-V111 HydrophobicContact CD2-CG2 3.74Å; A107-V111 WeakPolarHBondContact O-CG2 3.04Å; A107-V111 PolarHBondContact O-N 3Å; A108-V111 PolarHBondContact O-N 3.4Å; V111-C113 VanDerWaalsContact C-N 3.28Å; V111-C113 PolarHBondContact O-N 3.41Å; V111-L114 PolarHBondContact O-N 3.13Å; V111-R115 PolarHBondContact O-N 3.35Å; V111-L138 HydrophobicContact CG1-CD2 4.31Å; V111-L138 HydrophobicContact CG2-CD2 3.63Å; V111-D151 HydrophobicContact CG1-CB 3.83Å; V111-V152 HydrophobicContact CG1-CG2 3.95Å; V111-I155 HydrophobicContact CG1-CD1 3.77Å |
| 112 | A | 97.2 | Very high | 95.2 | Very high | 17 Ų | 17 | 33.2 Ų | 33.2 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -36.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A108 A109 M116 D151 | A108-A112 WeakPolarHBondContact O-CB 3.43Å; A108-A112 PolarHBondContact O-N 3.19Å; A109-A112 PolarHBondContact O-N 2.85Å; A112-M116 PolarHBondContact O-N 2.85Å; A112-M116 VanDerWaalsContact O-N 3.15Å; A112-D151 VanDerWaalsContact CA-OD2 3.3Å; A112-D151 WeakPolarHBondContact CA-OD2 3.23Å; A112-D151 VanDerWaalsContact CB-OD2 3.29Å; A112-D151 WeakPolarHBondContact CB-OD2 3.17Å |
| 113 | C | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.7 | -43.3 | 174.5 | -164.2 | 0 | 0 | 0 | 0 | 111.6 | V69 T73 L95 A109 C110 V111 R115 M116 L117 | V69-C113 HydrophobicContact CG1-CB 3.63Å; T73-C113 WeakPolarHBondContact OG1-CA 3.32Å; T73-C113 WeakPolarHBondContact OG1-CB 3.38Å; T73-C113 PolarHBondContact OG1-SG 3.4Å; T73-C113 VanDerWaalsContact OG1-SG 3.39Å; L95-C113 HydrophobicContact CD1-CB 3.94Å; L95-C113 HydrophobicContact CD2-CB 4.04Å; A109-C113 WeakPolarHBondContact O-CB 3.46Å; A109-C113 PolarHBondContact O-N 2.95Å; C110-C113 WeakPolarHBondContact O-CB 3.43Å; C110-C113 PolarHBondContact O-N 2.98Å; V111-C113 VanDerWaalsContact C-N 3.28Å; V111-C113 PolarHBondContact O-N 3.41Å; C113-R115 PolarHBondContact O-N 2.92Å; C113-M116 WeakPolarHBondContact O-CB 3.41Å; C113-M116 PolarHBondContact O-N 3.35Å; C113-L117 PolarHBondContact O-N 3.33Å |
| 114 | L | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 176.5 | -174.9 | 61.3 | 0 | 0 | 0 | 111.1 | L95 L96 L99 C110 V111 M116 L117 Y118 I155 | L95-L114 HydrophobicContact CD1-CB 4.39Å; L96-L114 HydrophobicContact CD2-CD1 4.49Å; L96-L114 HydrophobicContact CD2-CD2 3.97Å; L99-L114 HydrophobicContact CD1-CD2 4.48Å; C110-L114 WeakPolarHBondContact O-CB 3.39Å; C110-L114 PolarHBondContact O-N 3.04Å; V111-L114 PolarHBondContact O-N 3.13Å; L114-M116 VanDerWaalsContact C-N 3.3Å; L114-M116 PolarHBondContact O-N 3.36Å; L114-L117 WeakPolarHBondContact O-CB 3.5Å; L114-L117 PolarHBondContact O-N 3.31Å; L114-L117 VanDerWaalsContact O-N 3.13Å; L114-Y118 HydrophobicContact CD1-CD2 4.21Å; L114-Y118 HydrophobicContact CD1-CE2 3.83Å; L114-Y118 HydrophobicContact CD2-CE2 4.28Å; L114-Y118 HydrophobicContact CG-CD2 3.99Å; L114-Y118 HydrophobicContact CG-CE2 3.8Å; L114-Y118 WeakPolarHBondContact O-CD2 3.33Å; L114-Y118 PolarHBondContact O-N 3.02Å; L114-I155 HydrophobicContact CB-CD1 4.19Å; L114-I155 HydrophobicContact CD2-CD1 4.18Å; L114-I155 HydrophobicContact CG-CD1 4.17Å |
| 115 | R | 96.9 | Very high | 95.2 | Very high | 30 Ų | 30 | 26.3 Ų | 26.3 | 11% | 0.113 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.6 | -44.2 | 173.3 | -177.5 | -161.2 | 56.3 | 76 | 1 | 111.6 | V111 C113 L117 Y118 V119 D151 T154 I155 | V111-R115 PolarHBondContact O-N 3.35Å; C113-R115 PolarHBondContact O-N 2.92Å; R115-L117 VanDerWaalsContact C-N 3.26Å; R115-L117 PolarHBondContact O-N 3.45Å; R115-Y118 PolarHBondContact O-N 2.85Å; R115-V119 HydrophobicContact CG-CG2 4.17Å; R115-V119 WeakPolarHBondContact O-CG2 3.49Å; R115-V119 PolarHBondContact O-N 3.22Å; R115-D151 HydrophobicContact CB-CB 4.2Å; R115-D151 WeakPolarHBondContact CD-OD1 3.44Å; R115-D151 HydrophobicContact CG-CB 4.5Å; R115-D151 IonicContact CZ-OD1 2.91Å; R115-D151 IonicContact NE-OD1 3.86Å; R115-D151 PolarHBondContact NE-OD1 3.26Å; R115-D151 IonicContact NE-OD2 3.54Å; R115-T154 HydrophobicContact CG-CG2 3.78Å; R115-I155 HydrophobicContact CB-CD1 4.05Å; R115-I155 HydrophobicContact CB-CG1 3.85Å; R115-I155 HydrophobicContact CG-CG1 4.39Å |
| 116 | M | 96.9 | Very high | 95 | Very high | 7 Ų | 7 | 24.8 Ų | 24.8 | 3% | 0.034 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.3 | -43.6 | 178 | 174.8 | -75 | -62.4 | 0 | 0 | 111.1 | T73 G76 R77 A83 L86 A112 C113 L114 V119 A120 | T73-M116 HydrophobicContact CG2-CB 4.17Å; T73-M116 HydrophobicContact CG2-CG 4.49Å; G76-M116 VanDerWaalsContact C-SD 3.52Å; R77-M116 HydrophobicContact CG-CG 3.72Å; A83-M116 HydrophobicContact CB-SD 4Å; L86-M116 HydrophobicContact CD1-CE 3.97Å; A112-M116 PolarHBondContact O-N 2.85Å; A112-M116 VanDerWaalsContact O-N 3.15Å; C113-M116 WeakPolarHBondContact O-CB 3.41Å; C113-M116 PolarHBondContact O-N 3.35Å; L114-M116 VanDerWaalsContact C-N 3.3Å; L114-M116 PolarHBondContact O-N 3.36Å; M116-V119 PolarHBondContact O-N 3.29Å; M116-A120 WeakPolarHBondContact O-CB 3.49Å; M116-A120 PolarHBondContact O-N 3.45Å |
| 117 | L | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 176.2 | -63.3 | 174.1 | 0 | 0 | 0 | 111.6 | A83 V87 L91 I92 L95 C113 L114 R115 V119 A120 G121 Q122 G123 | A83-L117 HydrophobicContact CB-CD2 4.16Å; V87-L117 HydrophobicContact CG2-CD2 4.03Å; L91-L117 HydrophobicContact CD2-CD1 4.37Å; I92-L117 HydrophobicContact CG1-CD1 3.82Å; L95-L117 HydrophobicContact CD1-CD1 4.04Å; C113-L117 PolarHBondContact O-N 3.33Å; L114-L117 WeakPolarHBondContact O-CB 3.5Å; L114-L117 PolarHBondContact O-N 3.31Å; L114-L117 VanDerWaalsContact O-N 3.13Å; R115-L117 VanDerWaalsContact C-N 3.26Å; R115-L117 PolarHBondContact O-N 3.45Å; L117-V119 PolarHBondContact O-N 3.25Å; L117-A120 CarbonylContact O-C 3.57Å; L117-A120 PolarHBondContact O-N 3.3Å; L117-G121 PolarHBondContact O-N 2.91Å; L117-Q122 HydrophobicContact CB-CB 4.42Å; L117-Q122 HydrophobicContact CD2-CB 4.36Å; L117-Q122 CarbonylContact O-C 3.35Å; L117-Q122 WeakPolarHBondContact O-CA 3.37Å; L117-Q122 PolarHBondContact O-N 2.95Å; L117-G123 PolarHBondContact O-N 3.43Å |
| 118 | Y | 96.3 | Very high | 94.9 | Very high | 8 Ų | 8 | 23.9 Ų | 23.9 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 176.6 | -85.8 | -73.3 | 0 | 0 | 0 | 113.1 | L114 R115 A120 G121 P124 L127 I155 H158 T159 | L114-Y118 HydrophobicContact CD1-CD2 4.21Å; L114-Y118 HydrophobicContact CD1-CE2 3.83Å; L114-Y118 HydrophobicContact CD2-CE2 4.28Å; L114-Y118 HydrophobicContact CG-CD2 3.99Å; L114-Y118 HydrophobicContact CG-CE2 3.8Å; L114-Y118 WeakPolarHBondContact O-CD2 3.33Å; L114-Y118 PolarHBondContact O-N 3.02Å; R115-Y118 PolarHBondContact O-N 2.85Å; Y118-A120 PolarHBondContact O-N 3Å; Y118-G121 PolarHBondContact O-N 3.26Å; Y118-P124 WeakPolarHBondContact CE1-O 3.45Å; Y118-P124 VanDerWaalsContact OH-CD 3.3Å; Y118-P124 WeakPolarHBondContact OH-CD 3.49Å; Y118-P124 WeakPolarHBondContact OH-CG 3.46Å; Y118-P124 PolarHBondContact OH-O 3.47Å; Y118-L127 HydrophobicContact CE2-CD2 4.41Å; Y118-L127 VanDerWaalsContact OH-CB 3.25Å; Y118-L127 WeakPolarHBondContact OH-CB 3.35Å; Y118-L127 VanDerWaalsContact OH-CD2 3.26Å; Y118-L127 WeakPolarHBondContact OH-CD2 3.37Å; Y118-I155 HydrophobicContact CD2-CB 4.27Å; Y118-I155 HydrophobicContact CD2-CG1 3.94Å; Y118-I155 HydrophobicContact CD2-CG2 3.82Å; Y118-I155 HydrophobicContact CE2-CG2 3.63Å; Y118-H158 HydrophobicContact CD1-CB 3.54Å; Y118-H158 HydrophobicContact CE1-CB 4.39Å; Y118-H158 HydrophobicContact CG-CB 4.09Å; Y118-T159 HydrophobicContact CE1-CG2 3.63Å; Y118-T159 HydrophobicContact CE2-CG2 4.37Å; Y118-T159 VanDerWaalsContact OH-CG2 3.31Å; Y118-T159 WeakPolarHBondContact OH-CG2 3.32Å |
| 119 | V | 94.2 | Very high | 94.6 | Very high | 82 Ų | 82 | 29.2 Ų | 29.2 | 50% | 0.497 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.5 | -31 | 177.8 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | R115 M116 L117 G121 T154 | R115-V119 HydrophobicContact CG-CG2 4.17Å; R115-V119 WeakPolarHBondContact O-CG2 3.49Å; R115-V119 PolarHBondContact O-N 3.22Å; M116-V119 PolarHBondContact O-N 3.29Å; L117-V119 PolarHBondContact O-N 3.25Å; V119-G121 PolarHBondContact O-N 3.49Å; V119-T154 HydrophobicContact CG2-CG2 3.88Å |
| 120 | A | 94.7 | Very high | 94.5 | Very high | 24 Ų | 24 | 32.3 Ų | 32.3 | 20% | 0.198 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 0.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A83 M116 L117 Y118 Q122 | A83-A120 HydrophobicContact CB-CB 3.51Å; M116-A120 WeakPolarHBondContact O-CB 3.49Å; M116-A120 PolarHBondContact O-N 3.45Å; L117-A120 CarbonylContact O-C 3.57Å; L117-A120 PolarHBondContact O-N 3.3Å; Y118-A120 PolarHBondContact O-N 3Å; A120-Q122 VanDerWaalsContact C-N 3.3Å; A120-Q122 HydrophobicContact CB-CG 4.15Å; A120-Q122 PolarHBondContact O-N 3.13Å |
| 121 | G | 94.1 | Very high | 94.3 | Very high | 62 Ų | 62 | 36.6 Ų | 36.6 | 64% | 0.639 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 17.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L117 Y118 V119 | L117-G121 PolarHBondContact O-N 2.91Å; Y118-G121 PolarHBondContact O-N 3.26Å; V119-G121 PolarHBondContact O-N 3.49Å |
| 122 | Q | 95.8 | Very high | 94.1 | Very high | 47 Ų | 47 | 38.6 Ų | 38.6 | 22% | 0.22 | 23% | 0.226 | C | C | . | . | trans | -110.8 | 4.7 | -175.5 | -55 | -55.7 | -41.5 | 0 | 0 | 113.1 | A83 H84 V87 I92 L117 A120 | A83-Q122 HydrophobicContact CB-CB 4.36Å; A83-Q122 HydrophobicContact CB-CG 3.75Å; H84-Q122 HydrophobicContact CB-CG 4.4Å; H84-Q122 PolarHBondContact CD2-OE1 3.29Å; H84-Q122 VanDerWaalsContact CD2-OE1 3.25Å; V87-Q122 HydrophobicContact CG2-CB 3.93Å; I92-Q122 WeakPolarHBondContact CD1-O 3.44Å; L117-Q122 HydrophobicContact CB-CB 4.42Å; L117-Q122 HydrophobicContact CD2-CB 4.36Å; L117-Q122 CarbonylContact O-C 3.35Å; L117-Q122 WeakPolarHBondContact O-CA 3.37Å; L117-Q122 PolarHBondContact O-N 2.95Å; A120-Q122 VanDerWaalsContact C-N 3.3Å; A120-Q122 HydrophobicContact CB-CG 4.15Å; A120-Q122 PolarHBondContact O-N 3.13Å | ||
| 123 | G | 93.2 | Very high | 93.9 | Very high | 14 Ų | 14 | 43.2 Ų | 43.2 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -77.3 | 152.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L117 P125 | L117-G123 PolarHBondContact O-N 3.43Å; G123-P125 WeakPolarHBondContact O-CD 3.46Å |
| 124 | P | 92.1 | Very high | 93.8 | Very high | 20 Ų | 20 | 44 Ų | 44 | 13% | 0.13 | 25% | 0.253 | C | S | . | . | trans | -64.7 | 117.7 | 177.7 | 19.5 | -23.2 | 0 | 0 | 0 | 110.3 | I92 Y118 D126 L127 | I92-P124 HydrophobicContact CG2-CG 3.93Å; Y118-P124 WeakPolarHBondContact CE1-O 3.45Å; Y118-P124 VanDerWaalsContact OH-CD 3.3Å; Y118-P124 WeakPolarHBondContact OH-CD 3.49Å; Y118-P124 WeakPolarHBondContact OH-CG 3.46Å; Y118-P124 PolarHBondContact OH-O 3.47Å; P124-D126 PolarHBondContact O-N 3.3Å; P124-L127 HydrophobicContact CB-CB 4.42Å; P124-L127 HydrophobicContact CG-CB 4.14Å; P124-L127 HydrophobicContact CG-CD1 4.31Å; P124-L127 PolarHBondContact O-N 3.39Å | ||
| 125 | P | 88.2 | Confident | 93.7 | Very high | 85 Ų | 85 | 44 Ų | 44 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -17.3 | -172.7 | 29.1 | -35.5 | 0 | 0 | 0 | 113 | G123 | G123-P125 WeakPolarHBondContact O-CD 3.46Š|
| 126 | D | 90.2 | Very high | 93.6 | Very high | 59 Ų | 59 | 46.3 Ų | 46.3 | 32% | 0.316 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 15.9 | -175 | 63.2 | -22 | 0 | 0 | 0 | 112.6 | P124 L128 R129 T130 | P124-D126 PolarHBondContact O-N 3.3Å; D126-L128 PolarHBondContact O-N 3.14Å; D126-L128 VanDerWaalsContact O-N 3.14Å; D126-R129 WeakPolarHBondContact O-CA 3.43Å; D126-R129 PolarHBondContact O-N 3Å; D126-T130 HydrophobicContact CB-CG2 4.25Å; D126-T130 PolarHBondContact O-N 3.16Å; D126-T130 PolarHBondContact O-OG1 3.32Å; D126-T130 WeakPolarHBondContact OD2-CG2 3.47Å |
| 127 | L | 92.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -51.4 | -41.4 | -178.3 | -178.2 | 65.8 | 0 | 0 | 0 | 112.7 | L96 Y118 P124 R129 K131 V135 T159 | L96-L127 HydrophobicContact CD1-CD1 3.95Å; L96-L127 HydrophobicContact CD2-CD1 3.87Å; L96-L127 HydrophobicContact CD2-CD2 4.39Å; Y118-L127 HydrophobicContact CE2-CD2 4.41Å; Y118-L127 VanDerWaalsContact OH-CB 3.25Å; Y118-L127 WeakPolarHBondContact OH-CB 3.35Å; Y118-L127 VanDerWaalsContact OH-CD2 3.26Å; Y118-L127 WeakPolarHBondContact OH-CD2 3.37Å; P124-L127 HydrophobicContact CB-CB 4.42Å; P124-L127 HydrophobicContact CG-CB 4.14Å; P124-L127 HydrophobicContact CG-CD1 4.31Å; P124-L127 PolarHBondContact O-N 3.39Å; L127-R129 VanDerWaalsContact C-N 3.28Å; L127-R129 PolarHBondContact O-N 2.71Å; L127-K131 HydrophobicContact CD1-CB 4.07Å; L127-K131 CarbonylContact O-C 3.58Å; L127-K131 WeakPolarHBondContact O-CA 3.21Å; L127-K131 PolarHBondContact O-N 3.09Å; L127-V135 HydrophobicContact CG-CG2 4.39Å; L127-T159 HydrophobicContact CB-CG2 4.1Å; L127-T159 HydrophobicContact CD2-CG2 4.26Å |
| 128 | L | 92.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.8 | -34.7 | 179.7 | -176 | 64.7 | 0 | 0 | 0 | 112.4 | D126 V135 D165 M168 L169 I172 | D126-L128 PolarHBondContact O-N 3.14Å; D126-L128 VanDerWaalsContact O-N 3.14Å; L128-V135 HydrophobicContact CB-CG2 4.49Å; L128-V135 HydrophobicContact CD1-CB 4.08Å; L128-V135 HydrophobicContact CD1-CG1 3.84Å; L128-V135 HydrophobicContact CD1-CG2 3.84Å; L128-D165 HydrophobicContact CD2-CB 3.73Å; L128-D165 VanDerWaalsContact CD2-O 3.3Å; L128-D165 WeakPolarHBondContact CD2-O 3.33Å; L128-M168 HydrophobicContact CD1-CB 4.4Å; L128-M168 HydrophobicContact CD2-CB 3.85Å; L128-M168 HydrophobicContact CD2-CE 3.99Å; L128-M168 HydrophobicContact CG-CB 4.08Å; L128-M168 HydrophobicContact CG-CE 4.03Å; L128-M168 HydrophobicContact CG-SD 4.28Å; L128-L169 HydrophobicContact CD1-CD2 3.94Å; L128-L169 HydrophobicContact CD1-CG 4.47Å; L128-L169 HydrophobicContact CD2-CD2 4.09Å; L128-L169 HydrophobicContact CD2-CG 3.78Å; L128-I172 HydrophobicContact CD1-CD1 4.22Å |
| 129 | R | 90.8 | Very high | 93.5 | Very high | 130 Ų | 130 | 47.4 Ų | 47.4 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -82.6 | -38.3 | -179.7 | -74.1 | 179.5 | -84.4 | 153.3 | 4.2 | 112.2 | D126 L127 D165 M168 | D126-R129 WeakPolarHBondContact O-CA 3.43Å; D126-R129 PolarHBondContact O-N 3Å; L127-R129 VanDerWaalsContact C-N 3.28Å; L127-R129 PolarHBondContact O-N 2.71Å; R129-D165 IonicContact NE-OD1 2.76Å; R129-D165 PolarHBondContact NE-OD1 3.08Å; R129-M168 HydrophobicContact CG-CE 3.35Å; R129-M168 HydrophobicContact CG-SD 4.17Å |
| 130 | T | 92.2 | Very high | 93.5 | Very high | 80 Ų | 80 | 49.2 Ų | 49.2 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -88.6 | -32.1 | -174.6 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | D126 | D126-T130 HydrophobicContact CB-CG2 4.25Å; D126-T130 PolarHBondContact O-N 3.16Å; D126-T130 PolarHBondContact O-OG1 3.32Å; D126-T130 WeakPolarHBondContact OD2-CG2 3.47Å |
| 131 | K | 93.2 | Very high | 93.5 | Very high | 90 Ų | 90 | 48.9 Ų | 48.9 | 39% | 0.391 | 27% | 0.27 | S | S | . | . | trans | -139.8 | 64.4 | -177.7 | -62.6 | -169.2 | 177.8 | -176.5 | 0 | 111.7 | L96 L127 D133 V134 V135 | L96-K131 HydrophobicContact CD1-CD 4.25Å; L127-K131 HydrophobicContact CD1-CB 4.07Å; L127-K131 CarbonylContact O-C 3.58Å; L127-K131 WeakPolarHBondContact O-CA 3.21Å; L127-K131 PolarHBondContact O-N 3.09Å; K131-D133 PolarHBondContact O-N 3.44Å; K131-V134 HydrophobicContact CB-CB 4.21Å; K131-V134 HydrophobicContact CB-CG2 3.92Å; K131-V134 HydrophobicContact CD-CG2 4.16Å; K131-V134 PolarHBondContact O-N 3.39Å; K131-V135 PolarHBondContact O-N 2.85Å | ||
| 132 | P | 92.7 | Very high | 93.5 | Very high | 52 Ų | 52 | 46 Ų | 46 | 34% | 0.338 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.3 | -31.6 | 178.3 | 24.4 | -34.5 | 0 | 0 | 0 | 112.7 | V134 V135 L136 | P132-V134 VanDerWaalsContact C-N 3.28Å; P132-V134 PolarHBondContact O-N 2.93Å; P132-V135 WeakPolarHBondContact O-CB 3.32Å; P132-V135 PolarHBondContact O-N 3.13Å; P132-V135 VanDerWaalsContact O-N 3.07Å; P132-L136 PolarHBondContact O-N 2.96Å |
| 133 | D | 93.8 | Very high | 93.4 | Very high | 113 Ų | 113 | 48.5 Ų | 48.5 | 60% | 0.604 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -60.5 | -38 | 177.5 | -49.1 | -29 | 0 | 0 | 0 | 112 | K131 V135 L136 I137 | K131-D133 PolarHBondContact O-N 3.44Å; D133-V135 VanDerWaalsContact C-N 3.33Å; D133-V135 PolarHBondContact O-N 3.49Å; D133-L136 WeakPolarHBondContact O-CB 3.28Å; D133-L136 PolarHBondContact O-N 3.28Å; D133-I137 WeakPolarHBondContact O-CG1 3.47Å; D133-I137 PolarHBondContact O-N 2.93Å |
| 134 | V | 94.6 | Very high | 93.5 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 10% | 0.097 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.8 | -39.1 | 176.3 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | L96 L99 K131 P132 L136 I137 L138 | L96-V134 HydrophobicContact CD2-CG1 3.91Å; L99-V134 HydrophobicContact CD1-CG1 3.7Å; K131-V134 HydrophobicContact CB-CB 4.21Å; K131-V134 HydrophobicContact CB-CG2 3.92Å; K131-V134 HydrophobicContact CD-CG2 4.16Å; K131-V134 PolarHBondContact O-N 3.39Å; P132-V134 VanDerWaalsContact C-N 3.28Å; P132-V134 PolarHBondContact O-N 2.93Å; V134-L136 VanDerWaalsContact C-N 3.31Å; V134-L136 PolarHBondContact O-N 3.26Å; V134-I137 WeakPolarHBondContact O-CB 3.31Å; V134-I137 PolarHBondContact O-N 3.19Å; V134-L138 WeakPolarHBondContact O-CG 3.44Å; V134-L138 PolarHBondContact O-N 3.43Å |
| 135 | V | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 175.7 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | L127 L128 K131 P132 D133 L138 L139 L156 L169 I172 | L127-V135 HydrophobicContact CG-CG2 4.39Å; L128-V135 HydrophobicContact CB-CG2 4.49Å; L128-V135 HydrophobicContact CD1-CB 4.08Å; L128-V135 HydrophobicContact CD1-CG1 3.84Å; L128-V135 HydrophobicContact CD1-CG2 3.84Å; K131-V135 PolarHBondContact O-N 2.85Å; P132-V135 WeakPolarHBondContact O-CB 3.32Å; P132-V135 PolarHBondContact O-N 3.13Å; P132-V135 VanDerWaalsContact O-N 3.07Å; D133-V135 VanDerWaalsContact C-N 3.33Å; D133-V135 PolarHBondContact O-N 3.49Å; V135-L138 WeakPolarHBondContact O-CB 3.47Å; V135-L138 PolarHBondContact O-N 3.29Å; V135-L139 HydrophobicContact CG1-CD1 4.38Å; V135-L139 PolarHBondContact O-N 3.02Å; V135-L156 HydrophobicContact CG1-CD2 3.61Å; V135-L156 HydrophobicContact CG2-CD2 4.44Å; V135-L169 HydrophobicContact CG1-CD2 4.33Å; V135-I172 HydrophobicContact CB-CD1 4.37Å; V135-I172 HydrophobicContact CG1-CD1 3.43Å; V135-I172 VanDerWaalsContact CG1-CD1 3.43Å |
| 136 | L | 95.3 | Very high | 93.9 | Very high | 80 Ų | 80 | 52.3 Ų | 52.3 | 42% | 0.419 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 173.4 | -73.5 | 169.7 | 0 | 0 | 0 | 111.9 | P132 D133 V134 L138 L139 K140 I172 | P132-L136 PolarHBondContact O-N 2.96Å; D133-L136 WeakPolarHBondContact O-CB 3.28Å; D133-L136 PolarHBondContact O-N 3.28Å; V134-L136 VanDerWaalsContact C-N 3.31Å; V134-L136 PolarHBondContact O-N 3.26Å; L136-L138 VanDerWaalsContact C-N 3.35Å; L136-L138 PolarHBondContact O-N 3.46Å; L136-L139 PolarHBondContact O-N 3.48Å; L136-K140 WeakPolarHBondContact O-CB 3.5Å; L136-K140 PolarHBondContact O-N 3.29Å; L136-I172 HydrophobicContact CD2-CB 3.8Å; L136-I172 HydrophobicContact CD2-CG2 4.05Å |
| 137 | I | 95.9 | Very high | 94.1 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 15% | 0.149 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 174.6 | -69.3 | 166.5 | 0 | 0 | 0 | 110.8 | L99 T100 E101 D133 V134 L139 K140 N141 | L99-I137 HydrophobicContact CB-CG2 4.25Å; T100-I137 VanDerWaalsContact O-CG2 3.27Å; T100-I137 WeakPolarHBondContact O-CG2 3.4Å; E101-I137 HydrophobicContact CG-CG1 4.19Å; D133-I137 WeakPolarHBondContact O-CG1 3.47Å; D133-I137 PolarHBondContact O-N 2.93Å; V134-I137 WeakPolarHBondContact O-CB 3.31Å; V134-I137 PolarHBondContact O-N 3.19Å; I137-L139 PolarHBondContact O-N 3.08Å; I137-K140 PolarHBondContact O-N 3.44Å; I137-N141 WeakPolarHBondContact O-CB 3.42Å; I137-N141 PolarHBondContact O-N 3.45Å |
| 138 | L | 96.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 176.5 | -68.7 | 174.6 | 0 | 0 | 0 | 111.6 | L99 V111 V134 V135 L136 N141 I142 V152 I155 | L99-L138 HydrophobicContact CD1-CD2 3.93Å; L99-L138 HydrophobicContact CD1-CG 4.49Å; V111-L138 HydrophobicContact CG1-CD2 4.31Å; V111-L138 HydrophobicContact CG2-CD2 3.63Å; V134-L138 WeakPolarHBondContact O-CG 3.44Å; V134-L138 PolarHBondContact O-N 3.43Å; V135-L138 WeakPolarHBondContact O-CB 3.47Å; V135-L138 PolarHBondContact O-N 3.29Å; L136-L138 VanDerWaalsContact C-N 3.35Å; L136-L138 PolarHBondContact O-N 3.46Å; L138-N141 PolarHBondContact O-N 3.46Å; L138-I142 PolarHBondContact O-N 2.92Å; L138-I142 VanDerWaalsContact O-N 3.12Å; L138-V152 HydrophobicContact CB-CG1 4.08Å; L138-V152 HydrophobicContact CB-CG2 4.23Å; L138-V152 HydrophobicContact CD2-CG2 4.35Å; L138-I155 HydrophobicContact CD1-CG2 4.12Å |
| 139 | L | 95.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.2 | -38 | 177.8 | -74.5 | 173.4 | 0 | 0 | 0 | 112.7 | V135 L136 I137 N141 I142 L156 I172 A174 R177 I178 | V135-L139 HydrophobicContact CG1-CD1 4.38Å; V135-L139 PolarHBondContact O-N 3.02Å; L136-L139 PolarHBondContact O-N 3.48Å; I137-L139 PolarHBondContact O-N 3.08Å; L139-N141 VanDerWaalsContact C-N 3.3Å; L139-N141 PolarHBondContact O-N 3.24Å; L139-I142 WeakPolarHBondContact O-CB 3.44Å; L139-I142 WeakPolarHBondContact O-CG2 3.41Å; L139-I142 PolarHBondContact O-N 3.45Å; L139-L156 HydrophobicContact CD2-CD1 3.47Å; L139-L156 VanDerWaalsContact CD2-CD1 3.47Å; L139-L156 HydrophobicContact CG-CD1 3.92Å; L139-I172 HydrophobicContact CD1-CD1 3.59Å; L139-I172 HydrophobicContact CD1-CG1 3.85Å; L139-A174 HydrophobicContact CD1-CB 4.06Å; L139-A174 HydrophobicContact CD2-CB 4.3Å; L139-R177 HydrophobicContact CD2-CB 3.99Å; L139-R177 HydrophobicContact CD2-CG 4.48Å; L139-I178 HydrophobicContact CD2-CD1 4.37Å |
| 140 | K | 94.7 | Very high | 94.9 | Very high | 120 Ų | 120 | 50.5 Ų | 50.5 | 52% | 0.522 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 177.1 | -175.1 | 174.7 | 178.5 | 172.4 | 0 | 111.2 | E101 L136 I137 | E101-K140 HydrophobicContact CB-CD 4.35Å; E101-K140 HydrophobicContact CG-CD 4.48Å; E101-K140 IonicContact OE1-NZ 2.65Å; E101-K140 IonicContact OE2-NZ 2.85Å; E101-K140 PolarHBondContact OE2-NZ 3.1Å; L136-K140 WeakPolarHBondContact O-CB 3.5Å; L136-K140 PolarHBondContact O-N 3.29Å; I137-K140 PolarHBondContact O-N 3.44Å |
| 141 | N | 93.7 | Very high | 95.1 | Very high | 18 Ų | 18 | 47 Ų | 47 | 10% | 0.096 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 4 | -176.8 | -67.9 | -21.5 | 0 | 0 | 0 | 114.3 | T100 E101 P103 I137 L138 L139 N143 F144 T148 | T100-N141 PolarHBondContact O-ND2 3.11Å; E101-N141 PolarHBondContact O-OD1 3.46Å; P103-N141 HydrophobicContact CB-CB 4.29Å; I137-N141 WeakPolarHBondContact O-CB 3.42Å; I137-N141 PolarHBondContact O-N 3.45Å; L138-N141 PolarHBondContact O-N 3.46Å; L139-N141 VanDerWaalsContact C-N 3.3Å; L139-N141 PolarHBondContact O-N 3.24Å; N141-N143 PolarHBondContact O-N 3.48Å; N141-N143 VanDerWaalsContact O-N 3.11Å; N141-F144 WeakPolarHBondContact O-CB 3.48Å; N141-F144 PolarHBondContact O-N 3.42Å; N141-T148 WeakPolarHBondContact O-CG2 3.35Å |
| 142 | I | 95.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -54.3 | -37.7 | -173.5 | -163.8 | 166.2 | 0 | 0 | 0 | 112.8 | L138 L139 F144 Q149 V152 I178 M181 | L138-I142 PolarHBondContact O-N 2.92Å; L138-I142 VanDerWaalsContact O-N 3.12Å; L139-I142 WeakPolarHBondContact O-CB 3.44Å; L139-I142 WeakPolarHBondContact O-CG2 3.41Å; L139-I142 PolarHBondContact O-N 3.45Å; I142-F144 VanDerWaalsContact C-N 3.3Å; I142-F144 PolarHBondContact O-N 3.32Å; I142-Q149 HydrophobicContact CG1-CG 4.27Å; I142-Q149 WeakPolarHBondContact O-CA 3.27Å; I142-Q149 WeakPolarHBondContact O-CG 3.38Å; I142-Q149 PolarHBondContact O-N 3.23Å; I142-V152 HydrophobicContact CB-CG1 4.42Å; I142-V152 HydrophobicContact CD1-CB 4.19Å; I142-V152 HydrophobicContact CD1-CG1 3.81Å; I142-V152 HydrophobicContact CG1-CB 3.97Å; I142-V152 HydrophobicContact CG1-CG1 4Å; I142-V152 HydrophobicContact CG1-CG2 4.45Å; I142-I178 HydrophobicContact CD1-CG1 3.79Å; I142-M181 HydrophobicContact CD1-CE 3.74Å; I142-M181 HydrophobicContact CG1-CE 4.08Å |
| 143 | N | 93 | Very high | 95.6 | Very high | 99 Ų | 99 | 40.3 Ų | 40.3 | 53% | 0.529 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -86.1 | 9.3 | -175.6 | -69 | -33.8 | 0 | 0 | 0 | 114.6 | N141 S145 Q149 | N141-N143 PolarHBondContact O-N 3.48Å; N141-N143 VanDerWaalsContact O-N 3.11Å; N143-S145 VanDerWaalsContact C-N 3.31Å; N143-S145 PolarHBondContact O-N 3.49Å; N143-Q149 PolarHBondContact OD1-NE2 2.94Å |
| 144 | F | 94.2 | Very high | 95.7 | Very high | 75 Ų | 75 | 35.7 Ų | 35.7 | 33% | 0.329 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -60.7 | -40.7 | 177.9 | 177.7 | -111.1 | 0 | 0 | 0 | 112.5 | P103 S104 D105 A108 N141 I142 T148 | P103-F144 HydrophobicContact CB-CB 3.95Å; P103-F144 HydrophobicContact CB-CD2 3.53Å; P103-F144 HydrophobicContact CB-CE2 4.25Å; P103-F144 HydrophobicContact CB-CG 3.9Å; P103-F144 HydrophobicContact CG-CD2 4.14Å; S104-F144 VanDerWaalsContact C-CZ 3.44Å; D105-F144 WeakPolarHBondContact OD1-CZ 3.38Å; A108-F144 HydrophobicContact CB-CD1 3.81Å; A108-F144 HydrophobicContact CB-CE1 3.79Å; N141-F144 WeakPolarHBondContact O-CB 3.48Å; N141-F144 PolarHBondContact O-N 3.42Å; I142-F144 VanDerWaalsContact C-N 3.3Å; I142-F144 PolarHBondContact O-N 3.32Å; F144-T148 HydrophobicContact CB-CG2 4.34Å |
| 145 | S | 94.4 | Very high | 95.8 | Very high | 41 Ų | 41 | 34.9 Ų | 34.9 | 29% | 0.287 | 18% | 0.181 | S | C | . | . | trans | -155.6 | 165 | 176.2 | 76.2 | 0 | 0 | 0 | 0 | 111.3 | N143 D147 T148 Q149 | N143-S145 VanDerWaalsContact C-N 3.31Å; N143-S145 PolarHBondContact O-N 3.49Å; S145-D147 PolarHBondContact O-N 3.03Å; S145-D147 PolarHBondContact OG-N 2.95Å; S145-T148 PolarHBondContact O-N 3.5Å; S145-T148 WeakPolarHBondContact OG-CB 3.41Å; S145-T148 PolarHBondContact OG-N 3.26Å; S145-T148 PolarHBondContact OG-OG1 3.15Å; S145-Q149 WeakPolarHBondContact O-CG 3.42Å; S145-Q149 PolarHBondContact O-N 3.19Å | ||
| 146 | V | 94.9 | Very high | 95.9 | Very high | 83 Ų | 83 | 34.9 Ų | 34.9 | 50% | 0.503 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.3 | -36.8 | 173.5 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | Q149 H150 L189 | V146-Q149 WeakPolarHBondContact O-CB 3.47Å; V146-H150 PolarHBondContact O-N 3.32Å; V146-H150 VanDerWaalsContact O-N 3.14Å; V146-L189 HydrophobicContact CG1-CD1 3.9Å; V146-L189 HydrophobicContact CG1-CD2 4.26Å; V146-L189 HydrophobicContact CG1-CG 4.07Å; V146-L189 WeakPolarHBondContact O-CD2 3.14Å |
| 147 | D | 95.5 | Very high | 95.9 | Very high | 83 Ų | 83 | 33.2 Ų | 33.2 | 44% | 0.444 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -70.1 | -41.3 | 176.5 | -73.6 | -53.9 | 0 | 0 | 0 | 111.6 | S145 Q149 H150 D151 R188 | S145-D147 PolarHBondContact O-N 3.03Å; S145-D147 PolarHBondContact OG-N 2.95Å; D147-Q149 VanDerWaalsContact C-N 3.32Å; D147-Q149 PolarHBondContact O-N 3.26Å; D147-H150 PolarHBondContact O-N 3.04Å; D147-D151 VanDerWaalsContact O-CB 3.32Å; D147-D151 WeakPolarHBondContact O-CB 3.5Å; D147-D151 PolarHBondContact O-N 3.49Å; D147-R188 IonicContact OD1-CZ 3.7Å; D147-R188 IonicContact OD1-NH1 3.49Å; D147-R188 PolarHBondContact OD1-NH1 3.06Å; D147-R188 IonicContact OD1-NH2 3.26Å; D147-R188 PolarHBondContact OD1-NH2 3.45Å |
| 148 | T | 96.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 175.5 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | N141 F144 S145 D151 V152 | N141-T148 WeakPolarHBondContact O-CG2 3.35Å; F144-T148 HydrophobicContact CB-CG2 4.34Å; S145-T148 PolarHBondContact O-N 3.5Å; S145-T148 WeakPolarHBondContact OG-CB 3.41Å; S145-T148 PolarHBondContact OG-N 3.26Å; S145-T148 PolarHBondContact OG-OG1 3.15Å; T148-D151 PolarHBondContact O-N 2.81Å; T148-V152 HydrophobicContact CG2-CG2 4.13Å; T148-V152 WeakPolarHBondContact O-CB 3.14Å; T148-V152 VanDerWaalsContact O-CG2 3.29Å; T148-V152 WeakPolarHBondContact O-CG2 3.39Å; T148-V152 PolarHBondContact O-N 3.15Å |
| 149 | Q | 97 | Very high | 95.6 | Very high | 36 Ų | 36 | 34.2 Ų | 34.2 | 17% | 0.168 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -52.9 | -59.6 | 173.6 | -81.9 | -172.5 | -5.4 | 0 | 0 | 110.4 | I142 N143 S145 V146 D147 D151 V152 A153 M181 L189 | I142-Q149 HydrophobicContact CG1-CG 4.27Å; I142-Q149 WeakPolarHBondContact O-CA 3.27Å; I142-Q149 WeakPolarHBondContact O-CG 3.38Å; I142-Q149 PolarHBondContact O-N 3.23Å; N143-Q149 PolarHBondContact OD1-NE2 2.94Å; S145-Q149 WeakPolarHBondContact O-CG 3.42Å; S145-Q149 PolarHBondContact O-N 3.19Å; V146-Q149 WeakPolarHBondContact O-CB 3.47Å; D147-Q149 VanDerWaalsContact C-N 3.32Å; D147-Q149 PolarHBondContact O-N 3.26Å; Q149-D151 PolarHBondContact O-N 2.88Å; Q149-V152 PolarHBondContact O-N 2.87Å; Q149-A153 PolarHBondContact O-N 3.25Å; Q149-A153 VanDerWaalsContact O-N 3.13Å; Q149-M181 HydrophobicContact CB-CE 3.57Å; Q149-M181 HydrophobicContact CG-CE 4.17Å; Q149-M181 WeakPolarHBondContact O-CE 3.46Å; Q149-L189 HydrophobicContact CB-CD2 3.7Å |
| 150 | H | 97.6 | Very high | 95.5 | Very high | 30 Ų | 30 | 34 Ų | 34 | 14% | 0.139 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -53.6 | -44.5 | 178.1 | 168.1 | -85.3 | 0 | 0 | 0 | 112.1 | V146 D147 T154 R188 L189 | V146-H150 PolarHBondContact O-N 3.32Å; V146-H150 VanDerWaalsContact O-N 3.14Å; D147-H150 PolarHBondContact O-N 3.04Å; H150-T154 WeakPolarHBondContact O-CB 3.43Å; H150-T154 PolarHBondContact O-N 2.91Å; H150-T154 PolarHBondContact O-OG1 3.13Å; H150-R188 WeakPolarHBondContact CD2-CG 3.41Å; H150-R188 PolarHBondContact CD2-NE 3.48Å; H150-R188 PolarHBondContact CE1-NH2 3.44Å; H150-R188 PolarHBondContact ND1-NH2 3.09Å; H150-R188 PolarHBondContact NE2-NE 2.94Å; H150-L189 HydrophobicContact CB-CD2 4.03Å |
| 151 | D | 97.7 | Very high | 95.3 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72 | -41.8 | -171.8 | -67.2 | -14.4 | 0 | 0 | 0 | 112.7 | V111 A112 R115 D147 T148 Q149 T154 I155 R188 | V111-D151 HydrophobicContact CG1-CB 3.83Å; A112-D151 VanDerWaalsContact CA-OD2 3.3Å; A112-D151 WeakPolarHBondContact CA-OD2 3.23Å; A112-D151 VanDerWaalsContact CB-OD2 3.29Å; A112-D151 WeakPolarHBondContact CB-OD2 3.17Å; R115-D151 HydrophobicContact CB-CB 4.2Å; R115-D151 WeakPolarHBondContact CD-OD1 3.44Å; R115-D151 HydrophobicContact CG-CB 4.5Å; R115-D151 IonicContact CZ-OD1 2.91Å; R115-D151 IonicContact NE-OD1 3.86Å; R115-D151 PolarHBondContact NE-OD1 3.26Å; R115-D151 IonicContact NE-OD2 3.54Å; D147-D151 VanDerWaalsContact O-CB 3.32Å; D147-D151 WeakPolarHBondContact O-CB 3.5Å; D147-D151 PolarHBondContact O-N 3.49Å; T148-D151 PolarHBondContact O-N 2.81Å; Q149-D151 PolarHBondContact O-N 2.88Å; D151-T154 PolarHBondContact O-N 3.46Å; D151-I155 WeakPolarHBondContact O-CD1 3.47Å; D151-I155 VanDerWaalsContact O-CG1 3.27Å; D151-I155 WeakPolarHBondContact O-CG1 3.46Å; D151-I155 PolarHBondContact O-N 3.28Å; D151-R188 IonicContact OD1-NH2 2.98Å |
| 152 | V | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -49.3 | 174.4 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | V111 L138 I142 T148 Q149 T154 I155 L156 | V111-V152 HydrophobicContact CG1-CG2 3.95Å; L138-V152 HydrophobicContact CB-CG1 4.08Å; L138-V152 HydrophobicContact CB-CG2 4.23Å; L138-V152 HydrophobicContact CD2-CG2 4.35Å; I142-V152 HydrophobicContact CB-CG1 4.42Å; I142-V152 HydrophobicContact CD1-CB 4.19Å; I142-V152 HydrophobicContact CD1-CG1 3.81Å; I142-V152 HydrophobicContact CG1-CB 3.97Å; I142-V152 HydrophobicContact CG1-CG1 4Å; I142-V152 HydrophobicContact CG1-CG2 4.45Å; T148-V152 HydrophobicContact CG2-CG2 4.13Å; T148-V152 WeakPolarHBondContact O-CB 3.14Å; T148-V152 VanDerWaalsContact O-CG2 3.29Å; T148-V152 WeakPolarHBondContact O-CG2 3.39Å; T148-V152 PolarHBondContact O-N 3.15Å; Q149-V152 PolarHBondContact O-N 2.87Å; V152-T154 VanDerWaalsContact C-N 3.25Å; V152-T154 PolarHBondContact O-N 3.14Å; V152-I155 PolarHBondContact O-N 3.48Å; V152-I155 VanDerWaalsContact O-N 3.16Å; V152-L156 HydrophobicContact CG1-CD1 3.85Å; V152-L156 HydrophobicContact CG1-CG 4.22Å; V152-L156 WeakPolarHBondContact O-CG 3.42Å; V152-L156 PolarHBondContact O-N 2.87Å |
| 153 | A | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.3 | -39.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q149 L156 M157 M181 A192 | Q149-A153 PolarHBondContact O-N 3.25Å; Q149-A153 VanDerWaalsContact O-N 3.13Å; A153-L156 PolarHBondContact O-N 3.16Å; A153-M157 WeakPolarHBondContact O-CB 3.38Å; A153-M157 PolarHBondContact O-N 3.48Å; A153-M181 HydrophobicContact CB-CE 3.77Å; A153-M181 HydrophobicContact CB-SD 3.65Å; A153-A192 HydrophobicContact CB-CB 4.2Å |
| 154 | T | 96.9 | Very high | 95.2 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.1 | -43.6 | 176.6 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | R115 V119 H150 D151 V152 M157 H158 | R115-T154 HydrophobicContact CG-CG2 3.78Å; V119-T154 HydrophobicContact CG2-CG2 3.88Å; H150-T154 WeakPolarHBondContact O-CB 3.43Å; H150-T154 PolarHBondContact O-N 2.91Å; H150-T154 PolarHBondContact O-OG1 3.13Å; D151-T154 PolarHBondContact O-N 3.46Å; V152-T154 VanDerWaalsContact C-N 3.25Å; V152-T154 PolarHBondContact O-N 3.14Å; T154-M157 PolarHBondContact O-N 2.98Å; T154-H158 PolarHBondContact O-N 3.43Å; T154-H158 PolarHBondContact O-ND1 3.44Å |
| 155 | I | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.4 | -50.5 | 175.6 | -71.2 | 161.5 | 0 | 0 | 0 | 109.9 | V111 L114 R115 Y118 L138 D151 V152 M157 H158 T159 | V111-I155 HydrophobicContact CG1-CD1 3.77Å; L114-I155 HydrophobicContact CB-CD1 4.19Å; L114-I155 HydrophobicContact CD2-CD1 4.18Å; L114-I155 HydrophobicContact CG-CD1 4.17Å; R115-I155 HydrophobicContact CB-CD1 4.05Å; R115-I155 HydrophobicContact CB-CG1 3.85Å; R115-I155 HydrophobicContact CG-CG1 4.39Å; Y118-I155 HydrophobicContact CD2-CB 4.27Å; Y118-I155 HydrophobicContact CD2-CG1 3.94Å; Y118-I155 HydrophobicContact CD2-CG2 3.82Å; Y118-I155 HydrophobicContact CE2-CG2 3.63Å; L138-I155 HydrophobicContact CD1-CG2 4.12Å; D151-I155 WeakPolarHBondContact O-CD1 3.47Å; D151-I155 VanDerWaalsContact O-CG1 3.27Å; D151-I155 WeakPolarHBondContact O-CG1 3.46Å; D151-I155 PolarHBondContact O-N 3.28Å; V152-I155 PolarHBondContact O-N 3.48Å; V152-I155 VanDerWaalsContact O-N 3.16Å; I155-M157 VanDerWaalsContact C-N 3.28Å; I155-M157 PolarHBondContact O-N 3.4Å; I155-H158 PolarHBondContact O-N 2.9Å; I155-T159 HydrophobicContact CG2-CG2 4.23Å; I155-T159 PolarHBondContact O-N 3.34Å |
| 156 | L | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.1 | -31.9 | -176.1 | -61.7 | -177.9 | 0 | 0 | 0 | 112.9 | V135 L139 V152 A153 H158 T159 C160 L169 I178 F196 | V135-L156 HydrophobicContact CG1-CD2 3.61Å; V135-L156 HydrophobicContact CG2-CD2 4.44Å; L139-L156 HydrophobicContact CD2-CD1 3.47Å; L139-L156 VanDerWaalsContact CD2-CD1 3.47Å; L139-L156 HydrophobicContact CG-CD1 3.92Å; V152-L156 HydrophobicContact CG1-CD1 3.85Å; V152-L156 HydrophobicContact CG1-CG 4.22Å; V152-L156 WeakPolarHBondContact O-CG 3.42Å; V152-L156 PolarHBondContact O-N 2.87Å; A153-L156 PolarHBondContact O-N 3.16Å; L156-H158 VanDerWaalsContact C-N 3.32Å; L156-H158 PolarHBondContact O-N 3.32Å; L156-T159 VanDerWaalsContact CA-OG1 3.3Å; L156-T159 WeakPolarHBondContact CA-OG1 3.35Å; L156-T159 PolarHBondContact O-N 2.99Å; L156-T159 PolarHBondContact O-OG1 3Å; L156-C160 WeakPolarHBondContact O-CB 3.37Å; L156-C160 PolarHBondContact O-N 3.4Å; L156-L169 HydrophobicContact CD2-CD2 4.4Å; L156-I178 HydrophobicContact CD1-CD1 4.03Å; L156-F196 HydrophobicContact CB-CD2 4.04Å; L156-F196 HydrophobicContact CB-CE2 3.75Å |
| 157 | M | 95.6 | Very high | 95.3 | Very high | 45 Ų | 45 | 37.4 Ų | 37.4 | 22% | 0.222 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.2 | -41.8 | 169.9 | -177 | -167.4 | 70.5 | 0 | 0 | 111.2 | A153 T154 I155 N195 N199 | A153-M157 WeakPolarHBondContact O-CB 3.38Å; A153-M157 PolarHBondContact O-N 3.48Å; T154-M157 PolarHBondContact O-N 2.98Å; I155-M157 VanDerWaalsContact C-N 3.28Å; I155-M157 PolarHBondContact O-N 3.4Å; M157-N195 HydrophobicContact SD-CB 3.61Å; M157-N199 HydrophobicContact CG-CB 4.14Å; M157-N199 PolarHBondContact O-ND2 3.42Å |
| 158 | H | 94.6 | Very high | 95.3 | Very high | 52 Ų | 52 | 36 Ų | 36 | 24% | 0.241 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -79.6 | -25.9 | 179.8 | -67.7 | 84.7 | 0 | 0 | 0 | 113.5 | Y118 T154 I155 L156 C160 Q161 | Y118-H158 HydrophobicContact CD1-CB 3.54Å; Y118-H158 HydrophobicContact CE1-CB 4.39Å; Y118-H158 HydrophobicContact CG-CB 4.09Å; T154-H158 PolarHBondContact O-N 3.43Å; T154-H158 PolarHBondContact O-ND1 3.44Å; I155-H158 PolarHBondContact O-N 2.9Å; L156-H158 VanDerWaalsContact C-N 3.32Å; L156-H158 PolarHBondContact O-N 3.32Å; H158-C160 VanDerWaalsContact C-N 3.25Å; H158-C160 PolarHBondContact O-N 3.39Å; H158-Q161 PolarHBondContact O-NE2 2.9Å |
| 159 | T | 92.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -74.7 | -18.3 | 174.3 | 56 | 0 | 0 | 0 | 0 | 113 | Y118 L127 I155 L156 Q161 | Y118-T159 HydrophobicContact CE1-CG2 3.63Å; Y118-T159 HydrophobicContact CE2-CG2 4.37Å; Y118-T159 VanDerWaalsContact OH-CG2 3.31Å; Y118-T159 WeakPolarHBondContact OH-CG2 3.32Å; L127-T159 HydrophobicContact CB-CG2 4.1Å; L127-T159 HydrophobicContact CD2-CG2 4.26Å; I155-T159 HydrophobicContact CG2-CG2 4.23Å; I155-T159 PolarHBondContact O-N 3.34Å; L156-T159 VanDerWaalsContact CA-OG1 3.3Å; L156-T159 WeakPolarHBondContact CA-OG1 3.35Å; L156-T159 PolarHBondContact O-N 2.99Å; L156-T159 PolarHBondContact O-OG1 3Å; T159-Q161 PolarHBondContact O-N 3.02Å |
| 160 | C | 93.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | trans | -88.3 | 92.1 | -178.4 | -173 | 0 | 0 | 0 | 0 | 110.4 | L156 H158 R166 L169 N199 | L156-C160 WeakPolarHBondContact O-CB 3.37Å; L156-C160 PolarHBondContact O-N 3.4Å; H158-C160 VanDerWaalsContact C-N 3.25Å; H158-C160 PolarHBondContact O-N 3.39Å; C160-R166 WeakPolarHBondContact SG-CG 3.47Å; C160-L169 HydrophobicContact CB-CD1 3.74Å; C160-N199 PolarHBondContact O-ND2 3.33Å | ||
| 161 | Q | 90.4 | Very high | 95.1 | Very high | 116 Ų | 116 | 37.7 Ų | 37.7 | 54% | 0.542 | 20% | 0.201 | S | C | . | . | trans | -110.1 | -41.7 | -176.9 | -63.6 | -63.7 | -27.6 | 0 | 0 | 111.6 | H158 T159 D165 | H158-Q161 PolarHBondContact O-NE2 2.9Å; T159-Q161 PolarHBondContact O-N 3.02Å; Q161-D165 PolarHBondContact N-OD2 3.2Å; Q161-D165 VanDerWaalsContact N-OD2 3.1Å | ||
| 162 | A | 92.3 | Very high | 95 | Very high | 42 Ų | 42 | 39.4 Ų | 39.4 | 35% | 0.347 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -103.9 | 164.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E164 D165 R166 | A162-E164 PolarHBondContact O-N 3.45Å; A162-D165 PolarHBondContact N-OD2 3.23Å; A162-D165 WeakPolarHBondContact O-CB 3.44Å; A162-D165 PolarHBondContact O-N 2.91Å; A162-R166 PolarHBondContact O-N 3.43Å; A162-R166 PolarHBondContact O-NH1 3.42Å |
| 163 | E | 93.6 | Very high | 94.8 | Very high | 93 Ų | 93 | 42.4 Ų | 42.4 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.3 | -29.7 | 173.5 | -177.3 | 170.4 | -172.5 | 0 | 0 | 112.6 | R166 R167 C204 | E163-R166 WeakPolarHBondContact O-CB 3.36Å; E163-R166 PolarHBondContact O-N 2.97Å; E163-R167 PolarHBondContact O-N 2.98Å; E163-R167 VanDerWaalsContact O-N 3.11Å; E163-C204 HydrophobicContact CG-CB 4.35Å |
| 164 | E | 93.8 | Very high | 94.8 | Very high | 107 Ų | 107 | 42.4 Ų | 42.4 | 50% | 0.5 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 173.2 | -170.6 | 167.2 | -163.8 | 0 | 0 | 112.1 | A162 R166 R167 M168 | A162-E164 PolarHBondContact O-N 3.45Å; E164-R166 VanDerWaalsContact C-N 3.31Å; E164-R166 PolarHBondContact O-N 2.8Å; E164-R167 WeakPolarHBondContact O-CB 3.45Å; E164-R167 PolarHBondContact O-N 3.45Å; E164-M168 HydrophobicContact CG-CE 4.08Å; E164-M168 PolarHBondContact O-N 3.01Å |
| 165 | D | 94.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | 175.3 | -56.5 | -39.2 | 0 | 0 | 0 | 111.3 | L128 R129 Q161 A162 R167 M168 L169 | L128-D165 HydrophobicContact CD2-CB 3.73Å; L128-D165 VanDerWaalsContact CD2-O 3.3Å; L128-D165 WeakPolarHBondContact CD2-O 3.33Å; R129-D165 IonicContact NE-OD1 2.76Å; R129-D165 PolarHBondContact NE-OD1 3.08Å; Q161-D165 PolarHBondContact N-OD2 3.2Å; Q161-D165 VanDerWaalsContact N-OD2 3.1Å; A162-D165 PolarHBondContact N-OD2 3.23Å; A162-D165 WeakPolarHBondContact O-CB 3.44Å; A162-D165 PolarHBondContact O-N 2.91Å; D165-R167 VanDerWaalsContact C-N 3.34Å; D165-R167 PolarHBondContact O-N 3.48Å; D165-M168 HydrophobicContact CB-CE 4.47Å; D165-M168 PolarHBondContact O-N 3.08Å; D165-M168 WeakPolarHBondContact OD1-CE 3.31Å; D165-L169 WeakPolarHBondContact O-CG 3.48Å; D165-L169 PolarHBondContact O-N 3.5Å |
| 166 | R | 95.7 | Very high | 94.8 | Very high | 19 Ų | 19 | 46 Ų | 46 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 174.9 | -65.6 | 174.2 | -175 | 96 | 10.8 | 111.4 | C160 A162 E163 E164 L169 V170 N199 L200 Y202 C204 | C160-R166 WeakPolarHBondContact SG-CG 3.47Å; A162-R166 PolarHBondContact O-N 3.43Å; A162-R166 PolarHBondContact O-NH1 3.42Å; E163-R166 WeakPolarHBondContact O-CB 3.36Å; E163-R166 PolarHBondContact O-N 2.97Å; E164-R166 VanDerWaalsContact C-N 3.31Å; E164-R166 PolarHBondContact O-N 2.8Å; R166-L169 PolarHBondContact O-N 3.39Å; R166-V170 WeakPolarHBondContact O-CG2 3.41Å; R166-V170 PolarHBondContact O-N 2.92Å; R166-V170 VanDerWaalsContact O-N 3.1Å; R166-N199 PolarHBondContact NE-O 3.46Å; R166-N199 PolarHBondContact NH2-OD1 3.24Å; R166-L200 HydrophobicContact CB-CD1 4.23Å; R166-L200 WeakPolarHBondContact CD-O 3.43Å; R166-L200 HydrophobicContact CG-CD1 4.46Å; R166-Y202 PolarHBondContact NE-O 3.03Å; R166-C204 HydrophobicContact CB-CB 4.12Å; R166-C204 HydrophobicContact CG-CB 4.42Å |
| 167 | R | 95.8 | Very high | 94.8 | Very high | 131 Ų | 131 | 52.3 Ų | 52.3 | 49% | 0.494 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 177 | -79 | -175.8 | -75.7 | 143.9 | -4.5 | 112.3 | E163 E164 D165 V170 G171 S206 | E163-R167 PolarHBondContact O-N 2.98Å; E163-R167 VanDerWaalsContact O-N 3.11Å; E164-R167 WeakPolarHBondContact O-CB 3.45Å; E164-R167 PolarHBondContact O-N 3.45Å; D165-R167 VanDerWaalsContact C-N 3.34Å; D165-R167 PolarHBondContact O-N 3.48Å; R167-V170 PolarHBondContact O-N 3.47Å; R167-G171 PolarHBondContact O-N 3.32Å; R167-S206 VanDerWaalsContact CG-OG 3.27Å; R167-S206 WeakPolarHBondContact CG-OG 3.09Å |
| 168 | M | 95.6 | Very high | 94.8 | Very high | 55 Ų | 55 | 50.1 Ų | 50.1 | 27% | 0.271 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 176.5 | -77 | -175.7 | -72.6 | 0 | 0 | 112 | L128 R129 E164 D165 V170 G171 I172 | L128-M168 HydrophobicContact CD1-CB 4.4Å; L128-M168 HydrophobicContact CD2-CB 3.85Å; L128-M168 HydrophobicContact CD2-CE 3.99Å; L128-M168 HydrophobicContact CG-CB 4.08Å; L128-M168 HydrophobicContact CG-CE 4.03Å; L128-M168 HydrophobicContact CG-SD 4.28Å; R129-M168 HydrophobicContact CG-CE 3.35Å; R129-M168 HydrophobicContact CG-SD 4.17Å; E164-M168 HydrophobicContact CG-CE 4.08Å; E164-M168 PolarHBondContact O-N 3.01Å; D165-M168 HydrophobicContact CB-CE 4.47Å; D165-M168 PolarHBondContact O-N 3.08Å; D165-M168 WeakPolarHBondContact OD1-CE 3.31Å; M168-V170 VanDerWaalsContact C-N 3.31Å; M168-V170 PolarHBondContact O-N 3.44Å; M168-G171 PolarHBondContact O-N 3.26Å; M168-G171 VanDerWaalsContact O-N 3.08Å; M168-I172 WeakPolarHBondContact O-CG1 3.34Å; M168-I172 PolarHBondContact O-N 3.26Å |
| 169 | L | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -39.2 | 177.1 | -74 | 176.5 | 0 | 0 | 0 | 112.6 | L128 V135 L156 C160 D165 R166 I172 A174 F196 L200 | L128-L169 HydrophobicContact CD1-CD2 3.94Å; L128-L169 HydrophobicContact CD1-CG 4.47Å; L128-L169 HydrophobicContact CD2-CD2 4.09Å; L128-L169 HydrophobicContact CD2-CG 3.78Å; V135-L169 HydrophobicContact CG1-CD2 4.33Å; L156-L169 HydrophobicContact CD2-CD2 4.4Å; C160-L169 HydrophobicContact CB-CD1 3.74Å; D165-L169 WeakPolarHBondContact O-CG 3.48Å; D165-L169 PolarHBondContact O-N 3.5Å; R166-L169 PolarHBondContact O-N 3.39Å; L169-I172 HydrophobicContact CD2-CD1 4.04Å; L169-I172 WeakPolarHBondContact O-CG1 3.28Å; L169-A174 HydrophobicContact CB-CB 4.1Å; L169-A174 HydrophobicContact CD2-CB 4.27Å; L169-A174 WeakPolarHBondContact O-CB 3.43Å; L169-A174 PolarHBondContact O-N 3.44Å; L169-F196 HydrophobicContact CD1-CE2 4.03Å; L169-F196 HydrophobicContact CD1-CZ 4.34Å; L169-L200 HydrophobicContact CB-CD1 3.79Å; L169-L200 HydrophobicContact CD1-CD1 3.99Å |
| 170 | V | 96.2 | Very high | 95.2 | Very high | 36 Ų | 36 | 49 Ų | 49 | 22% | 0.218 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 172.4 | 175 | 0 | 0 | 0 | 0 | 110.5 | R166 R167 M168 I172 N173 I175 L200 S207 A210 | R166-V170 WeakPolarHBondContact O-CG2 3.41Å; R166-V170 PolarHBondContact O-N 2.92Å; R166-V170 VanDerWaalsContact O-N 3.1Å; R167-V170 PolarHBondContact O-N 3.47Å; M168-V170 VanDerWaalsContact C-N 3.31Å; M168-V170 PolarHBondContact O-N 3.44Å; V170-I172 VanDerWaalsContact C-N 3.29Å; V170-I172 PolarHBondContact O-N 2.83Å; V170-N173 PolarHBondContact O-N 3.23Å; V170-I175 HydrophobicContact CG2-CD1 4.09Å; V170-L200 HydrophobicContact CG2-CD1 4.42Å; V170-S207 WeakPolarHBondContact CG2-OG 3.3Å; V170-A210 HydrophobicContact CG1-CB 3.75Å |
| 171 | G | 94.9 | Very high | 95.5 | Very high | 70 Ų | 70 | 49.2 Ų | 49.2 | 72% | 0.722 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.1 | -32.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R167 M168 N173 | R167-G171 PolarHBondContact O-N 3.32Å; M168-G171 PolarHBondContact O-N 3.26Å; M168-G171 VanDerWaalsContact O-N 3.08Å; G171-N173 VanDerWaalsContact C-N 3.27Å; G171-N173 PolarHBondContact O-N 3.09Å |
| 172 | I | 93.8 | Very high | 95.8 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 22% | 0.221 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 13.2 | 175.9 | 67.2 | 177.8 | 0 | 0 | 0 | 113.7 | L128 V135 L136 L139 M168 L169 V170 A174 | L128-I172 HydrophobicContact CD1-CD1 4.22Å; V135-I172 HydrophobicContact CB-CD1 4.37Å; V135-I172 HydrophobicContact CG1-CD1 3.43Å; V135-I172 VanDerWaalsContact CG1-CD1 3.43Å; L136-I172 HydrophobicContact CD2-CB 3.8Å; L136-I172 HydrophobicContact CD2-CG2 4.05Å; L139-I172 HydrophobicContact CD1-CD1 3.59Å; L139-I172 HydrophobicContact CD1-CG1 3.85Å; M168-I172 WeakPolarHBondContact O-CG1 3.34Å; M168-I172 PolarHBondContact O-N 3.26Å; L169-I172 HydrophobicContact CD2-CD1 4.04Å; L169-I172 WeakPolarHBondContact O-CG1 3.28Å; V170-I172 VanDerWaalsContact C-N 3.29Å; V170-I172 PolarHBondContact O-N 2.83Å; I172-A174 HydrophobicContact CG1-CB 4.5Å; I172-A174 PolarHBondContact O-N 2.99Å |
| 173 | N | 94.4 | Very high | 96.1 | Very high | 65 Ų | 65 | 43.6 Ų | 43.6 | 35% | 0.348 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 41.1 | -179.2 | -160.6 | 14 | 0 | 0 | 0 | 114.8 | V170 G171 I175 D176 R177 | V170-N173 PolarHBondContact O-N 3.23Å; G171-N173 VanDerWaalsContact C-N 3.27Å; G171-N173 PolarHBondContact O-N 3.09Å; N173-I175 PolarHBondContact O-N 3.26Å; N173-D176 PolarHBondContact ND2-OD2 3.32Å; N173-D176 VanDerWaalsContact OD1-CB 3.31Å; N173-D176 WeakPolarHBondContact OD1-CB 3.33Å; N173-D176 PolarHBondContact OD1-OD2 3.14Å; N173-R177 VanDerWaalsContact O-CG 3.28Å; N173-R177 WeakPolarHBondContact O-CG 3.44Å |
| 174 | A | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.6 | -27.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L139 L169 I172 R177 I178 F196 | L139-A174 HydrophobicContact CD1-CB 4.06Å; L139-A174 HydrophobicContact CD2-CB 4.3Å; L169-A174 HydrophobicContact CB-CB 4.1Å; L169-A174 HydrophobicContact CD2-CB 4.27Å; L169-A174 WeakPolarHBondContact O-CB 3.43Å; L169-A174 PolarHBondContact O-N 3.44Å; I172-A174 HydrophobicContact CG1-CB 4.5Å; I172-A174 PolarHBondContact O-N 2.99Å; A174-R177 PolarHBondContact O-N 3.27Å; A174-I178 WeakPolarHBondContact O-CB 3.44Å; A174-I178 PolarHBondContact O-N 3.05Å; A174-I178 VanDerWaalsContact O-N 3.09Å; A174-F196 HydrophobicContact CB-CZ 4.04Å |
| 175 | I | 97.6 | Very high | 96.2 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.6 | -57.1 | 180 | -67 | 176.7 | 0 | 0 | 0 | 110.3 | V170 N173 R177 I178 L179 F197 L200 A210 F211 A214 | V170-I175 HydrophobicContact CG2-CD1 4.09Å; N173-I175 PolarHBondContact O-N 3.26Å; I175-R177 PolarHBondContact O-N 2.77Å; I175-I178 PolarHBondContact O-N 3.3Å; I175-L179 VanDerWaalsContact O-CB 3.23Å; I175-L179 WeakPolarHBondContact O-CB 3.37Å; I175-L179 PolarHBondContact O-N 3Å; I175-F197 HydrophobicContact CB-CE1 4.39Å; I175-F197 HydrophobicContact CG1-CE1 4.26Å; I175-F197 HydrophobicContact CG2-CE1 4.15Å; I175-L200 HydrophobicContact CD1-CD2 4.1Å; I175-L200 HydrophobicContact CG1-CD2 3.62Å; I175-A210 HydrophobicContact CD1-CB 3.61Å; I175-F211 HydrophobicContact CD1-CB 4.38Å; I175-F211 HydrophobicContact CG2-CD2 4.27Å; I175-A214 HydrophobicContact CG2-CB 3.79Å |
| 176 | D | 95.9 | Very high | 96.2 | Very high | 86 Ų | 86 | 44.9 Ų | 44.9 | 46% | 0.46 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.7 | -30.4 | -176.7 | -65 | -11.4 | 0 | 0 | 0 | 112.4 | N173 P180 | N173-D176 PolarHBondContact ND2-OD2 3.32Å; N173-D176 VanDerWaalsContact OD1-CB 3.31Å; N173-D176 WeakPolarHBondContact OD1-CB 3.33Å; N173-D176 PolarHBondContact OD1-OD2 3.14Å; D176-P180 VanDerWaalsContact O-CD 3.31Å; D176-P180 WeakPolarHBondContact O-CD 3.33Å |
| 177 | R | 96.4 | Very high | 96.2 | Very high | 131 Ų | 131 | 47.5 Ų | 47.5 | 49% | 0.494 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -73.9 | -33.4 | 179.9 | -62.4 | -66 | -176.2 | -172.5 | 1 | 112.9 | L139 N173 A174 I175 | L139-R177 HydrophobicContact CD2-CB 3.99Å; L139-R177 HydrophobicContact CD2-CG 4.48Å; N173-R177 VanDerWaalsContact O-CG 3.28Å; N173-R177 WeakPolarHBondContact O-CG 3.44Å; A174-R177 PolarHBondContact O-N 3.27Å; I175-R177 PolarHBondContact O-N 2.77Å |
| 178 | I | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -97.9 | -25.9 | -176.4 | -69 | 170.1 | 0 | 0 | 0 | 112.2 | L139 I142 L156 A174 I175 P180 M181 F196 F197 | L139-I178 HydrophobicContact CD2-CD1 4.37Å; I142-I178 HydrophobicContact CD1-CG1 3.79Å; L156-I178 HydrophobicContact CD1-CD1 4.03Å; A174-I178 WeakPolarHBondContact O-CB 3.44Å; A174-I178 PolarHBondContact O-N 3.05Å; A174-I178 VanDerWaalsContact O-N 3.09Å; I175-I178 PolarHBondContact O-N 3.3Å; I178-P180 VanDerWaalsContact C-N 3.29Å; I178-P180 VanDerWaalsContact O-N 3.14Å; I178-M181 HydrophobicContact CG2-SD 3.8Å; I178-M181 VanDerWaalsContact O-CB 3.25Å; I178-M181 WeakPolarHBondContact O-CB 3.48Å; I178-M181 WeakPolarHBondContact O-CG 3.32Å; I178-M181 PolarHBondContact O-N 3.04Å; I178-F196 HydrophobicContact CB-CD1 4.12Å; I178-F196 HydrophobicContact CB-CE1 4.13Å; I178-F196 HydrophobicContact CD1-CD1 3.67Å; I178-F196 HydrophobicContact CD1-CD2 3.8Å; I178-F196 HydrophobicContact CD1-CE1 3.45Å; I178-F196 VanDerWaalsContact CD1-CE1 3.45Å; I178-F196 HydrophobicContact CD1-CE2 3.6Å; I178-F196 HydrophobicContact CD1-CG 3.84Å; I178-F196 HydrophobicContact CD1-CZ 3.42Å; I178-F196 VanDerWaalsContact CD1-CZ 3.42Å; I178-F196 HydrophobicContact CG1-CD1 4.48Å; I178-F196 HydrophobicContact CG1-CE1 4.36Å; I178-F196 HydrophobicContact CG2-CB 4.44Å; I178-F196 HydrophobicContact CG2-CD1 3.57Å; I178-F196 HydrophobicContact CG2-CE1 4.1Å; I178-F196 HydrophobicContact CG2-CG 4.12Å; I178-F197 HydrophobicContact CB-CE2 4.49Å; I178-F197 HydrophobicContact CB-CZ 4.13Å; I178-F197 HydrophobicContact CG2-CE2 3.82Å; I178-F197 HydrophobicContact CG2-CZ 3.94Å |
| 179 | L | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -40.6 | -179.6 | -177 | 61.1 | 0 | 0 | 0 | 114.4 | I175 M181 L182 F183 F197 F211 A214 A221 | I175-L179 VanDerWaalsContact O-CB 3.23Å; I175-L179 WeakPolarHBondContact O-CB 3.37Å; I175-L179 PolarHBondContact O-N 3Å; L179-M181 PolarHBondContact O-N 3.47Å; L179-L182 HydrophobicContact CD1-CD1 3.87Å; L179-L182 HydrophobicContact CD1-CG 4.39Å; L179-L182 WeakPolarHBondContact O-CB 3.21Å; L179-L182 PolarHBondContact O-N 2.89Å; L179-F183 HydrophobicContact CD1-CE2 3.95Å; L179-F183 HydrophobicContact CG-CE2 3.99Å; L179-F183 WeakPolarHBondContact O-CD2 3.5Å; L179-F197 HydrophobicContact CB-CZ 4.14Å; L179-F197 HydrophobicContact CD1-CE2 4.42Å; L179-F197 HydrophobicContact CD1-CZ 4.4Å; L179-F211 HydrophobicContact CD1-CE2 4.41Å; L179-A214 HydrophobicContact CD2-CB 4Å; L179-A221 HydrophobicContact CD1-CB 3.74Å; L179-A221 HydrophobicContact CD2-CB 4.29Å |
| 180 | P | 97.5 | Very high | 96.4 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.2 | -27 | 177.6 | -27.2 | 35.1 | 0 | 0 | 0 | 114.2 | D176 I178 L182 F183 S184 Y216 | D176-P180 VanDerWaalsContact O-CD 3.31Å; D176-P180 WeakPolarHBondContact O-CD 3.33Å; I178-P180 VanDerWaalsContact C-N 3.29Å; I178-P180 VanDerWaalsContact O-N 3.14Å; P180-L182 VanDerWaalsContact C-N 3.26Å; P180-L182 PolarHBondContact O-N 3.27Å; P180-F183 PolarHBondContact O-N 3.18Å; P180-S184 PolarHBondContact O-N 3.28Å; P180-Y216 HydrophobicContact CB-CD2 4.48Å; P180-Y216 HydrophobicContact CB-CE1 4.2Å; P180-Y216 HydrophobicContact CB-CE2 3.94Å; P180-Y216 HydrophobicContact CG-CD2 3.98Å; P180-Y216 HydrophobicContact CG-CE2 3.6Å |
| 181 | M | 97.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.02 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.5 | -32 | 177.6 | -64.6 | 178.3 | 174.9 | 0 | 0 | 113 | I142 Q149 A153 I178 L179 F183 S184 L189 | I142-M181 HydrophobicContact CD1-CE 3.74Å; I142-M181 HydrophobicContact CG1-CE 4.08Å; Q149-M181 HydrophobicContact CB-CE 3.57Å; Q149-M181 HydrophobicContact CG-CE 4.17Å; Q149-M181 WeakPolarHBondContact O-CE 3.46Å; A153-M181 HydrophobicContact CB-CE 3.77Å; A153-M181 HydrophobicContact CB-SD 3.65Å; I178-M181 HydrophobicContact CG2-SD 3.8Å; I178-M181 VanDerWaalsContact O-CB 3.25Å; I178-M181 WeakPolarHBondContact O-CB 3.48Å; I178-M181 WeakPolarHBondContact O-CG 3.32Å; I178-M181 PolarHBondContact O-N 3.04Å; L179-M181 PolarHBondContact O-N 3.47Å; M181-F183 PolarHBondContact O-N 3.04Å; M181-S184 WeakPolarHBondContact O-CB 3.41Å; M181-S184 PolarHBondContact O-N 2.72Å; M181-L189 HydrophobicContact CB-CB 4.46Å |
| 182 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.5 | -24.5 | 175.7 | -60.5 | -168.9 | 0 | 0 | 0 | 111.8 | L179 P180 V194 F197 F211 R224 L225 L228 | L179-L182 HydrophobicContact CD1-CD1 3.87Å; L179-L182 HydrophobicContact CD1-CG 4.39Å; L179-L182 WeakPolarHBondContact O-CB 3.21Å; L179-L182 PolarHBondContact O-N 2.89Å; P180-L182 VanDerWaalsContact C-N 3.26Å; P180-L182 PolarHBondContact O-N 3.27Å; L182-V194 HydrophobicContact CD2-CB 4.39Å; L182-V194 HydrophobicContact CD2-CG1 3.52Å; L182-F197 HydrophobicContact CD1-CD2 3.8Å; L182-F197 HydrophobicContact CD1-CE2 3.86Å; L182-F197 HydrophobicContact CD2-CD2 4.06Å; L182-F197 HydrophobicContact CD2-CE2 4.32Å; L182-F197 HydrophobicContact CG-CD2 4.03Å; L182-F197 HydrophobicContact CG-CE2 3.89Å; L182-F211 HydrophobicContact CD1-CZ 4.23Å; L182-R224 HydrophobicContact CB-CG 4.11Å; L182-R224 VanDerWaalsContact O-CZ 3.25Å; L182-R224 PolarHBondContact O-NE 3.43Å; L182-R224 PolarHBondContact O-NH2 3.11Å; L182-L225 HydrophobicContact CD1-CD2 4.05Å; L182-L228 HydrophobicContact CB-CD1 4.34Å; L182-L228 HydrophobicContact CD2-CD1 4.24Å |
| 183 | F | 97.2 | Very high | 96.7 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 18% | 0.175 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -96.5 | -5.4 | -178.7 | -63.8 | -96.6 | 0 | 0 | 0 | 113.2 | L179 P180 M181 Y216 I219 R224 | L179-F183 HydrophobicContact CD1-CE2 3.95Å; L179-F183 HydrophobicContact CG-CE2 3.99Å; L179-F183 WeakPolarHBondContact O-CD2 3.5Å; P180-F183 PolarHBondContact O-N 3.18Å; M181-F183 PolarHBondContact O-N 3.04Å; F183-Y216 HydrophobicContact CB-CD1 3.86Å; F183-Y216 HydrophobicContact CB-CE1 3.98Å; F183-Y216 HydrophobicContact CD1-CD1 4.03Å; F183-Y216 AromaticContact CD2-CD1 3.49Å; F183-Y216 HydrophobicContact CD2-CD1 3.49Å; F183-Y216 VanDerWaalsContact CD2-CD1 3.49Å; F183-Y216 HydrophobicContact CD2-CE1 4.34Å; F183-Y216 HydrophobicContact CD2-CG 4.02Å; F183-Y216 HydrophobicContact CE1-CD1 4.45Å; F183-Y216 AromaticContact CE2-CD1 4Å; F183-Y216 HydrophobicContact CE2-CD1 4Å; F183-Y216 HydrophobicContact CE2-CG 4.14Å; F183-Y216 AromaticContact CG-CD1 3.52Å; F183-Y216 HydrophobicContact CG-CD1 3.52Å; F183-Y216 HydrophobicContact CG-CE1 4.16Å; F183-Y216 HydrophobicContact CG-CG 4.44Å; F183-Y216 HydrophobicContact CZ-CD1 4.43Å; F183-I219 HydrophobicContact CE1-CB 3.84Å; F183-I219 HydrophobicContact CE1-CD1 4.17Å; F183-I219 HydrophobicContact CE1-CG2 3.84Å; F183-I219 HydrophobicContact CZ-CB 4.26Å; F183-I219 HydrophobicContact CZ-CG2 4.24Å; F183-R224 HydrophobicContact CD1-CG 4.11Å; F183-R224 HydrophobicContact CD2-CG 4.26Å; F183-R224 HydrophobicContact CE1-CB 3.86Å; F183-R224 HydrophobicContact CE1-CG 3.71Å; F183-R224 HydrophobicContact CE2-CB 4.15Å; F183-R224 HydrophobicContact CE2-CG 3.85Å; F183-R224 HydrophobicContact CG-CG 4.38Å; F183-R224 HydrophobicContact CZ-CB 3.53Å; F183-R224 HydrophobicContact CZ-CG 3.57Å |
| 184 | S | 95.6 | Very high | 96.9 | Very high | 30 Ų | 30 | 37 Ų | 37 | 21% | 0.21 | 19% | 0.19 | C | C | . | . | trans | -66.7 | 148.9 | 177.6 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | P180 M181 A186 L189 Q190 | P180-S184 PolarHBondContact O-N 3.28Å; M181-S184 WeakPolarHBondContact O-CB 3.41Å; M181-S184 PolarHBondContact O-N 2.72Å; S184-A186 VanDerWaalsContact C-N 3.26Å; S184-A186 PolarHBondContact OG-N 3.38Å; S184-A186 VanDerWaalsContact OG-N 3.14Å; S184-L189 WeakPolarHBondContact OG-CD1 3.5Å; S184-Q190 WeakPolarHBondContact O-CG 3.47Å; S184-Q190 PolarHBondContact O-NE2 3.4Å | ||
| 185 | N | 93.7 | Very high | 97 | Very high | 161 Ų | 161 | 39.3 Ų | 39.3 | 86% | 0.861 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -77.6 | -12.9 | 170 | -68 | -29 | 0 | 0 | 0 | 112.6 | V187 | N185-V187 PolarHBondContact O-N 3.44Š|
| 186 | A | 95.7 | Very high | 97 | Very high | 37 Ų | 37 | 39.1 Ų | 39.1 | 31% | 0.306 | 20% | 0.201 | S | C | . | . | trans | -82.6 | 113.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S184 R188 L189 Q190 | S184-A186 VanDerWaalsContact C-N 3.26Å; S184-A186 PolarHBondContact OG-N 3.38Å; S184-A186 VanDerWaalsContact OG-N 3.14Å; A186-R188 PolarHBondContact O-N 2.9Å; A186-R188 VanDerWaalsContact O-N 3.16Å; A186-L189 HydrophobicContact CB-CB 4.23Å; A186-L189 HydrophobicContact CB-CD1 4.12Å; A186-L189 HydrophobicContact CB-CG 4.08Å; A186-L189 WeakPolarHBondContact O-CB 3.42Å; A186-L189 PolarHBondContact O-N 2.74Å; A186-Q190 PolarHBondContact O-N 3.34Å | ||
| 187 | V | 95.7 | Very high | 97.1 | Very high | 74 Ų | 74 | 35 Ų | 35 | 45% | 0.448 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -53 | -38.8 | 178 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | N185 L189 Q190 L191 A234 V237 | N185-V187 PolarHBondContact O-N 3.44Å; V187-L189 VanDerWaalsContact C-N 3.32Å; V187-L189 PolarHBondContact O-N 2.64Å; V187-Q190 PolarHBondContact O-N 2.93Å; V187-L191 WeakPolarHBondContact O-CB 3.49Å; V187-L191 PolarHBondContact O-N 3.34Å; V187-A234 HydrophobicContact CG1-CB 3.64Å; V187-V237 HydrophobicContact CG1-CG2 4.17Å |
| 188 | R | 95.8 | Very high | 97.2 | Very high | 111 Ų | 111 | 28.8 Ų | 28.8 | 42% | 0.419 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60.6 | -38.2 | 177.2 | 179.4 | 172.9 | 174.3 | -148.4 | -7.8 | 112.8 | D147 H150 D151 A186 A192 | D147-R188 IonicContact OD1-CZ 3.7Å; D147-R188 IonicContact OD1-NH1 3.49Å; D147-R188 PolarHBondContact OD1-NH1 3.06Å; D147-R188 IonicContact OD1-NH2 3.26Å; D147-R188 PolarHBondContact OD1-NH2 3.45Å; H150-R188 WeakPolarHBondContact CD2-CG 3.41Å; H150-R188 PolarHBondContact CD2-NE 3.48Å; H150-R188 PolarHBondContact CE1-NH2 3.44Å; H150-R188 PolarHBondContact ND1-NH2 3.09Å; H150-R188 PolarHBondContact NE2-NE 2.94Å; D151-R188 IonicContact OD1-NH2 2.98Å; A186-R188 PolarHBondContact O-N 2.9Å; A186-R188 VanDerWaalsContact O-N 3.16Å; R188-A192 PolarHBondContact O-N 3.06Å; R188-A192 VanDerWaalsContact O-N 3.14Å |
| 189 | L | 97.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.1 | -42.9 | 176.5 | -70.6 | -178.8 | 0 | 0 | 0 | 111.5 | V146 Q149 H150 M181 S184 A186 V187 L191 A192 G193 | V146-L189 HydrophobicContact CG1-CD1 3.9Å; V146-L189 HydrophobicContact CG1-CD2 4.26Å; V146-L189 HydrophobicContact CG1-CG 4.07Å; V146-L189 WeakPolarHBondContact O-CD2 3.14Å; Q149-L189 HydrophobicContact CB-CD2 3.7Å; H150-L189 HydrophobicContact CB-CD2 4.03Å; M181-L189 HydrophobicContact CB-CB 4.46Å; S184-L189 WeakPolarHBondContact OG-CD1 3.5Å; A186-L189 HydrophobicContact CB-CB 4.23Å; A186-L189 HydrophobicContact CB-CD1 4.12Å; A186-L189 HydrophobicContact CB-CG 4.08Å; A186-L189 WeakPolarHBondContact O-CB 3.42Å; A186-L189 PolarHBondContact O-N 2.74Å; V187-L189 VanDerWaalsContact C-N 3.32Å; V187-L189 PolarHBondContact O-N 2.64Å; L189-L191 VanDerWaalsContact C-N 3.28Å; L189-L191 PolarHBondContact O-N 3.36Å; L189-A192 PolarHBondContact O-N 3.5Å; L189-G193 PolarHBondContact O-N 3.38Å |
| 190 | Q | 97.8 | Very high | 97.2 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 5% | 0.047 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.4 | -45.5 | 174.3 | -67.4 | 178.7 | -17.9 | 0 | 0 | 110.9 | S184 A186 V187 G193 V194 V237 | S184-Q190 WeakPolarHBondContact O-CG 3.47Å; S184-Q190 PolarHBondContact O-NE2 3.4Å; A186-Q190 PolarHBondContact O-N 3.34Å; V187-Q190 PolarHBondContact O-N 2.93Å; Q190-G193 PolarHBondContact O-N 2.79Å; Q190-V194 WeakPolarHBondContact O-CG2 3.5Å; Q190-V194 PolarHBondContact O-N 2.91Å; Q190-V237 HydrophobicContact CB-CG1 4.07Å; Q190-V237 HydrophobicContact CB-CG2 3.88Å |
| 191 | L | 96.7 | Very high | 97.2 | Very high | 49 Ų | 49 | 29 Ų | 29 | 26% | 0.257 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.9 | -47.2 | 179 | -173.8 | 63.7 | 0 | 0 | 0 | 112 | V187 L189 G193 V194 N195 V237 | V187-L191 WeakPolarHBondContact O-CB 3.49Å; V187-L191 PolarHBondContact O-N 3.34Å; L189-L191 VanDerWaalsContact C-N 3.28Å; L189-L191 PolarHBondContact O-N 3.36Å; L191-G193 VanDerWaalsContact C-N 3.33Å; L191-G193 PolarHBondContact O-N 3.4Å; L191-V194 HydrophobicContact CD1-CG2 4.49Å; L191-V194 WeakPolarHBondContact O-CG2 3.13Å; L191-N195 WeakPolarHBondContact O-CB 3.21Å; L191-N195 VanDerWaalsContact O-CG 3.25Å; L191-N195 PolarHBondContact O-N 3.1Å; L191-N195 PolarHBondContact O-ND2 3.38Å; L191-V237 HydrophobicContact CB-CG2 4.19Å; L191-V237 HydrophobicContact CD1-CG2 4.49Å |
| 192 | A | 97.4 | Very high | 97.2 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 7% | 0.066 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A153 R188 L189 F196 | A153-A192 HydrophobicContact CB-CB 4.2Å; R188-A192 PolarHBondContact O-N 3.06Å; R188-A192 VanDerWaalsContact O-N 3.14Å; L189-A192 PolarHBondContact O-N 3.5Å; A192-F196 WeakPolarHBondContact O-CB 3.4Å; A192-F196 PolarHBondContact O-N 3.42Å |
| 193 | G | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.8 | -52.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L189 Q190 L191 N195 F196 F197 | L189-G193 PolarHBondContact O-N 3.38Å; Q190-G193 PolarHBondContact O-N 2.79Å; L191-G193 VanDerWaalsContact C-N 3.33Å; L191-G193 PolarHBondContact O-N 3.4Å; G193-N195 VanDerWaalsContact C-N 3.3Å; G193-N195 PolarHBondContact O-N 2.94Å; G193-F196 PolarHBondContact O-N 3.28Å; G193-F197 WeakPolarHBondContact O-CD2 3.42Å; G193-F197 PolarHBondContact O-N 3.3Å |
| 194 | V | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.9 | -34 | -179 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | L182 Q190 L191 A198 L228 V237 A241 | L182-V194 HydrophobicContact CD2-CB 4.39Å; L182-V194 HydrophobicContact CD2-CG1 3.52Å; Q190-V194 WeakPolarHBondContact O-CG2 3.5Å; Q190-V194 PolarHBondContact O-N 2.91Å; L191-V194 HydrophobicContact CD1-CG2 4.49Å; L191-V194 WeakPolarHBondContact O-CG2 3.13Å; V194-A198 WeakPolarHBondContact O-CB 3.4Å; V194-A198 PolarHBondContact O-N 3.13Å; V194-L228 HydrophobicContact CG1-CD1 3.87Å; V194-V237 HydrophobicContact CG1-CG1 4.42Å; V194-A241 HydrophobicContact CG1-CB 4.47Å |
| 195 | N | 97.5 | Very high | 97.1 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -71.4 | -40.4 | 177.8 | -73.4 | -22.5 | 0 | 0 | 0 | 111.6 | M157 L191 G193 A198 N199 | M157-N195 HydrophobicContact SD-CB 3.61Å; L191-N195 WeakPolarHBondContact O-CB 3.21Å; L191-N195 VanDerWaalsContact O-CG 3.25Å; L191-N195 PolarHBondContact O-N 3.1Å; L191-N195 PolarHBondContact O-ND2 3.38Å; G193-N195 VanDerWaalsContact C-N 3.3Å; G193-N195 PolarHBondContact O-N 2.94Å; N195-A198 PolarHBondContact O-N 2.77Å; N195-N199 PolarHBondContact O-N 3.28Å; N195-N199 VanDerWaalsContact O-N 3.12Å |
| 196 | F | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.5 | -51.9 | 170.7 | 170.1 | -95.5 | 0 | 0 | 0 | 111.1 | L156 L169 A174 I178 A192 G193 A198 N199 L200 | L156-F196 HydrophobicContact CB-CD2 4.04Å; L156-F196 HydrophobicContact CB-CE2 3.75Å; L169-F196 HydrophobicContact CD1-CE2 4.03Å; L169-F196 HydrophobicContact CD1-CZ 4.34Å; A174-F196 HydrophobicContact CB-CZ 4.04Å; I178-F196 HydrophobicContact CB-CD1 4.12Å; I178-F196 HydrophobicContact CB-CE1 4.13Å; I178-F196 HydrophobicContact CD1-CD1 3.67Å; I178-F196 HydrophobicContact CD1-CD2 3.8Å; I178-F196 HydrophobicContact CD1-CE1 3.45Å; I178-F196 VanDerWaalsContact CD1-CE1 3.45Å; I178-F196 HydrophobicContact CD1-CE2 3.6Å; I178-F196 HydrophobicContact CD1-CG 3.84Å; I178-F196 HydrophobicContact CD1-CZ 3.42Å; I178-F196 VanDerWaalsContact CD1-CZ 3.42Å; I178-F196 HydrophobicContact CG1-CD1 4.48Å; I178-F196 HydrophobicContact CG1-CE1 4.36Å; I178-F196 HydrophobicContact CG2-CB 4.44Å; I178-F196 HydrophobicContact CG2-CD1 3.57Å; I178-F196 HydrophobicContact CG2-CE1 4.1Å; I178-F196 HydrophobicContact CG2-CG 4.12Å; A192-F196 WeakPolarHBondContact O-CB 3.4Å; A192-F196 PolarHBondContact O-N 3.42Å; G193-F196 PolarHBondContact O-N 3.28Å; F196-A198 PolarHBondContact O-N 2.93Å; F196-N199 PolarHBondContact O-N 3.34Å; F196-L200 HydrophobicContact CE1-CB 4.44Å; F196-L200 HydrophobicContact CE1-CD2 3.84Å; F196-L200 HydrophobicContact CZ-CD1 4.45Å; F196-L200 HydrophobicContact CZ-CD2 4.06Å; F196-L200 WeakPolarHBondContact O-CB 3.49Å; F196-L200 PolarHBondContact O-N 2.88Å |
| 197 | F | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.4 | -38.4 | -178.9 | -73.6 | -59.4 | 0 | 0 | 0 | 112.7 | I175 I178 L179 L182 G193 N199 L200 L201 F211 | I175-F197 HydrophobicContact CB-CE1 4.39Å; I175-F197 HydrophobicContact CG1-CE1 4.26Å; I175-F197 HydrophobicContact CG2-CE1 4.15Å; I178-F197 HydrophobicContact CB-CE2 4.49Å; I178-F197 HydrophobicContact CB-CZ 4.13Å; I178-F197 HydrophobicContact CG2-CE2 3.82Å; I178-F197 HydrophobicContact CG2-CZ 3.94Å; L179-F197 HydrophobicContact CB-CZ 4.14Å; L179-F197 HydrophobicContact CD1-CE2 4.42Å; L179-F197 HydrophobicContact CD1-CZ 4.4Å; L182-F197 HydrophobicContact CD1-CD2 3.8Å; L182-F197 HydrophobicContact CD1-CE2 3.86Å; L182-F197 HydrophobicContact CD2-CD2 4.06Å; L182-F197 HydrophobicContact CD2-CE2 4.32Å; L182-F197 HydrophobicContact CG-CD2 4.03Å; L182-F197 HydrophobicContact CG-CE2 3.89Å; G193-F197 WeakPolarHBondContact O-CD2 3.42Å; G193-F197 PolarHBondContact O-N 3.3Å; F197-N199 VanDerWaalsContact C-N 3.26Å; F197-N199 PolarHBondContact O-N 3.06Å; F197-L200 HydrophobicContact CD1-CD2 4.18Å; F197-L200 HydrophobicContact CE1-CD2 4.42Å; F197-L200 PolarHBondContact O-N 3.21Å; F197-L201 HydrophobicContact CB-CD1 4.34Å; F197-L201 VanDerWaalsContact O-CB 3.28Å; F197-L201 WeakPolarHBondContact O-CB 3.31Å; F197-L201 WeakPolarHBondContact O-CG 3.49Å; F197-L201 PolarHBondContact O-N 2.87Å; F197-F211 HydrophobicContact CB-CE2 4.28Å; F197-F211 AromaticContact CD1-CD2 3.58Å; F197-F211 HydrophobicContact CD1-CD2 3.58Å; F197-F211 AromaticContact CD1-CE2 3.38Å; F197-F211 HydrophobicContact CD1-CE2 3.38Å; F197-F211 AromaticContact CD2-CE2 3.98Å; F197-F211 HydrophobicContact CD2-CE2 3.98Å; F197-F211 AromaticContact CE1-CD2 3.72Å; F197-F211 HydrophobicContact CE1-CD2 3.72Å; F197-F211 AromaticContact CE1-CE2 3.55Å; F197-F211 HydrophobicContact CE1-CE2 3.55Å; F197-F211 HydrophobicContact CE2-CE2 4.13Å; F197-F211 HydrophobicContact CG-CD2 4.24Å; F197-F211 AromaticContact CG-CE2 3.61Å; F197-F211 HydrophobicContact CG-CE2 3.61Å; F197-F211 HydrophobicContact CG-CZ 4.46Å; F197-F211 HydrophobicContact CZ-CD2 4.47Å; F197-F211 AromaticContact CZ-CE2 3.93Å; F197-F211 HydrophobicContact CZ-CE2 3.93Å |
| 198 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58 | -42.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V194 N195 F196 Y202 R243 C244 Y247 | V194-A198 WeakPolarHBondContact O-CB 3.4Å; V194-A198 PolarHBondContact O-N 3.13Å; N195-A198 PolarHBondContact O-N 2.77Å; F196-A198 PolarHBondContact O-N 2.93Å; A198-Y202 PolarHBondContact O-N 2.9Å; A198-R243 HydrophobicContact CB-CB 4.08Å; A198-C244 PolarHBondContact N-SG 3.48Å; A198-C244 VanDerWaalsContact N-SG 3.36Å; A198-Y247 HydrophobicContact CB-CE2 4.15Å; A198-Y247 VanDerWaalsContact O-CD2 3.26Å; A198-Y247 WeakPolarHBondContact O-CD2 3.29Å; A198-Y247 WeakPolarHBondContact O-CE2 3.24Å |
| 199 | N | 97.3 | Very high | 97.6 | Very high | 33 Ų | 33 | 26.3 Ų | 26.3 | 18% | 0.176 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70.7 | -40.7 | 176.3 | -167.2 | 21.6 | 0 | 0 | 0 | 112.9 | M157 C160 R166 N195 F196 F197 L201 Y202 | M157-N199 HydrophobicContact CG-CB 4.14Å; M157-N199 PolarHBondContact O-ND2 3.42Å; C160-N199 PolarHBondContact O-ND2 3.33Å; R166-N199 PolarHBondContact NE-O 3.46Å; R166-N199 PolarHBondContact NH2-OD1 3.24Å; N195-N199 PolarHBondContact O-N 3.28Å; N195-N199 VanDerWaalsContact O-N 3.12Å; F196-N199 PolarHBondContact O-N 3.34Å; F197-N199 VanDerWaalsContact C-N 3.26Å; F197-N199 PolarHBondContact O-N 3.06Å; N199-L201 VanDerWaalsContact C-N 3.33Å; N199-L201 PolarHBondContact O-N 2.95Å; N199-Y202 PolarHBondContact O-N 3.05Å |
| 200 | L | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63 | -37.9 | 179.4 | -173.7 | 69.9 | 0 | 0 | 0 | 112.8 | R166 L169 V170 I175 F196 F197 S207 | R166-L200 HydrophobicContact CB-CD1 4.23Å; R166-L200 WeakPolarHBondContact CD-O 3.43Å; R166-L200 HydrophobicContact CG-CD1 4.46Å; L169-L200 HydrophobicContact CB-CD1 3.79Å; L169-L200 HydrophobicContact CD1-CD1 3.99Å; V170-L200 HydrophobicContact CG2-CD1 4.42Å; I175-L200 HydrophobicContact CD1-CD2 4.1Å; I175-L200 HydrophobicContact CG1-CD2 3.62Å; F196-L200 HydrophobicContact CE1-CB 4.44Å; F196-L200 HydrophobicContact CE1-CD2 3.84Å; F196-L200 HydrophobicContact CZ-CD1 4.45Å; F196-L200 HydrophobicContact CZ-CD2 4.06Å; F196-L200 WeakPolarHBondContact O-CB 3.49Å; F196-L200 PolarHBondContact O-N 2.88Å; F197-L200 HydrophobicContact CD1-CD2 4.18Å; F197-L200 HydrophobicContact CE1-CD2 4.42Å; F197-L200 PolarHBondContact O-N 3.21Å; L200-S207 WeakPolarHBondContact O-CB 3.38Å; L200-S207 PolarHBondContact O-OG 3.4Å |
| 201 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -84.7 | -19.6 | -176 | -63.6 | 171.8 | 0 | 0 | 0 | 112.9 | F197 N199 R203 C204 C208 F211 C244 Y247 L248 | F197-L201 HydrophobicContact CB-CD1 4.34Å; F197-L201 VanDerWaalsContact O-CB 3.28Å; F197-L201 WeakPolarHBondContact O-CB 3.31Å; F197-L201 WeakPolarHBondContact O-CG 3.49Å; F197-L201 PolarHBondContact O-N 2.87Å; N199-L201 VanDerWaalsContact C-N 3.33Å; N199-L201 PolarHBondContact O-N 2.95Å; L201-R203 PolarHBondContact O-N 2.84Å; L201-C204 PolarHBondContact O-N 3.5Å; L201-C208 HydrophobicContact CD2-CB 4.42Å; L201-C208 PolarHBondContact O-SG 3.4Å; L201-F211 HydrophobicContact CD1-CD1 4.4Å; L201-F211 HydrophobicContact CD1-CD2 4.47Å; L201-F211 HydrophobicContact CD1-CG 4.3Å; L201-F211 HydrophobicContact CD2-CB 3.66Å; L201-F211 HydrophobicContact CD2-CD2 4.46Å; L201-F211 HydrophobicContact CD2-CG 4.02Å; L201-C244 HydrophobicContact CD1-CB 3.77Å; L201-Y247 HydrophobicContact CB-CD2 4.17Å; L201-L248 HydrophobicContact CD1-CD1 4.47Å; L201-L248 HydrophobicContact CD1-CG 4.28Å; L201-L248 HydrophobicContact CD2-CD2 4.23Å |
| 202 | Y | 97.5 | Very high | 97.7 | Very high | 77 Ų | 77 | 28.7 Ų | 28.7 | 30% | 0.302 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 116.7 | -175.3 | -176.2 | -111.8 | 0 | 0 | 0 | 111.8 | R166 A198 N199 C204 Y247 | R166-Y202 PolarHBondContact NE-O 3.03Å; A198-Y202 PolarHBondContact O-N 2.9Å; N199-Y202 PolarHBondContact O-N 3.05Å; Y202-C204 PolarHBondContact O-N 3.38Å; Y202-Y247 HydrophobicContact CD2-CD1 4.1Å; Y202-Y247 HydrophobicContact CD2-CD2 4.4Å; Y202-Y247 AromaticContact CD2-CE1 3.67Å; Y202-Y247 HydrophobicContact CD2-CE1 3.67Å; Y202-Y247 HydrophobicContact CD2-CE2 4Å; Y202-Y247 HydrophobicContact CD2-CG 4.46Å; Y202-Y247 AromaticContact CD2-CZ 3.62Å; Y202-Y247 HydrophobicContact CE2-CE1 4.17Å; Y202-Y247 HydrophobicContact CG-CE2 4.5Å |
| 203 | R | 95.3 | Very high | 97.7 | Very high | 137 Ų | 137 | 33 Ų | 33 | 52% | 0.517 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 14.5 | 177.4 | -64.8 | -175.4 | 173.8 | -176.5 | 1.4 | 116.1 | L201 K251 | L201-R203 PolarHBondContact O-N 2.84Å; R203-K251 WeakPolarHBondContact O-CE 3.47Å; R203-K251 PolarHBondContact O-NZ 2.94Å |
| 204 | C | 96.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -111.6 | 116 | -178.1 | -173.5 | 0 | 0 | 0 | 0 | 113.2 | E163 R166 L201 Y202 S206 S207 C208 | E163-C204 HydrophobicContact CG-CB 4.35Å; R166-C204 HydrophobicContact CB-CB 4.12Å; R166-C204 HydrophobicContact CG-CB 4.42Å; L201-C204 PolarHBondContact O-N 3.5Å; Y202-C204 PolarHBondContact O-N 3.38Å; C204-S206 PolarHBondContact SG-OG 3.5Å; C204-S207 PolarHBondContact SG-OG 2.7Å; C204-C208 PolarHBondContact O-N 3.15Å; C204-C208 PolarHBondContact O-SG 3.11Å | ||
| 205 | Q | 97 | Very high | 97.6 | Very high | 84 Ų | 84 | 39.5 Ų | 39.5 | 39% | 0.393 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.8 | -47.4 | -176.8 | -175.7 | 63.3 | 46.9 | 0 | 0 | 112.4 | S207 C208 S209 K251 C253 | Q205-S207 VanDerWaalsContact C-N 3.32Å; Q205-S207 PolarHBondContact O-N 2.9Å; Q205-C208 PolarHBondContact O-N 2.9Å; Q205-S209 PolarHBondContact NE2-OG 3.46Å; Q205-S209 PolarHBondContact O-N 3.09Å; Q205-S209 PolarHBondContact O-OG 3.04Å; Q205-K251 HydrophobicContact CB-CD 4.49Å; Q205-K251 PolarHBondContact NE2-O 3.48Å; Q205-K251 VanDerWaalsContact NE2-O 3.1Å; Q205-K251 PolarHBondContact OE1-O 3.31Å; Q205-C253 PolarHBondContact NE2-SG 3.39Å |
| 206 | S | 96.5 | Very high | 97.6 | Very high | 46 Ų | 46 | 40.8 Ų | 40.8 | 32% | 0.322 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.9 | -39.6 | -177.5 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | R167 C204 S209 A210 | R167-S206 VanDerWaalsContact CG-OG 3.27Å; R167-S206 WeakPolarHBondContact CG-OG 3.09Å; C204-S206 PolarHBondContact SG-OG 3.5Å; S206-S209 PolarHBondContact O-N 2.88Å; S206-A210 WeakPolarHBondContact O-CB 3.31Å; S206-A210 PolarHBondContact O-N 3.31Å |
| 207 | S | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.8 | -45.8 | 175.8 | -60.2 | 0 | 0 | 0 | 0 | 112 | V170 L200 C204 Q205 A210 F211 | V170-S207 WeakPolarHBondContact CG2-OG 3.3Å; L200-S207 WeakPolarHBondContact O-CB 3.38Å; L200-S207 PolarHBondContact O-OG 3.4Å; C204-S207 PolarHBondContact SG-OG 2.7Å; Q205-S207 VanDerWaalsContact C-N 3.32Å; Q205-S207 PolarHBondContact O-N 2.9Å; S207-A210 PolarHBondContact O-N 3Å; S207-F211 WeakPolarHBondContact O-CB 3.42Å; S207-F211 PolarHBondContact O-N 3.37Å |
| 208 | C | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 178.1 | -72.2 | 0 | 0 | 0 | 0 | 112.1 | L201 C204 Q205 F211 H212 L248 K251 C253 | L201-C208 HydrophobicContact CD2-CB 4.42Å; L201-C208 PolarHBondContact O-SG 3.4Å; C204-C208 PolarHBondContact O-N 3.15Å; C204-C208 PolarHBondContact O-SG 3.11Å; Q205-C208 PolarHBondContact O-N 2.9Å; C208-F211 PolarHBondContact O-N 3.4Å; C208-H212 WeakPolarHBondContact O-CB 3.22Å; C208-H212 PolarHBondContact O-N 2.9Å; C208-L248 HydrophobicContact CB-CD2 3.91Å; C208-K251 HydrophobicContact CB-CB 3.75Å; C208-K251 HydrophobicContact CB-CG 4.17Å; C208-C253 VanDerWaalsContact C-SG 3.58Å; C208-C253 HydrophobicContact CB-CB 4.02Å; C208-C253 VanDerWaalsContact CB-SG 3.52Å |
| 209 | S | 97.8 | Very high | 97.2 | Very high | 56 Ų | 56 | 55 Ų | 55 | 39% | 0.392 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 176.7 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | Q205 S206 H212 | Q205-S209 PolarHBondContact NE2-OG 3.46Å; Q205-S209 PolarHBondContact O-N 3.09Å; Q205-S209 PolarHBondContact O-OG 3.04Å; S206-S209 PolarHBondContact O-N 2.88Å; S209-H212 PolarHBondContact O-N 2.88Å |
| 210 | A | 97.8 | Very high | 97.2 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 31% | 0.306 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | V170 I175 S206 S207 H212 S213 A214 | V170-A210 HydrophobicContact CG1-CB 3.75Å; I175-A210 HydrophobicContact CD1-CB 3.61Å; S206-A210 WeakPolarHBondContact O-CB 3.31Å; S206-A210 PolarHBondContact O-N 3.31Å; S207-A210 PolarHBondContact O-N 3Å; A210-H212 VanDerWaalsContact C-N 3.34Å; A210-H212 PolarHBondContact O-N 3.41Å; A210-S213 PolarHBondContact O-N 3.39Å; A210-A214 PolarHBondContact O-N 3.17Å |
| 211 | F | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.5 | -32 | 178.2 | -169 | -83.8 | 0 | 0 | 0 | 112.9 | I175 L179 L182 F197 L201 S207 C208 S213 A214 A221 L225 L248 | I175-F211 HydrophobicContact CD1-CB 4.38Å; I175-F211 HydrophobicContact CG2-CD2 4.27Å; L179-F211 HydrophobicContact CD1-CE2 4.41Å; L182-F211 HydrophobicContact CD1-CZ 4.23Å; F197-F211 HydrophobicContact CB-CE2 4.28Å; F197-F211 AromaticContact CD1-CD2 3.58Å; F197-F211 HydrophobicContact CD1-CD2 3.58Å; F197-F211 AromaticContact CD1-CE2 3.38Å; F197-F211 HydrophobicContact CD1-CE2 3.38Å; F197-F211 AromaticContact CD2-CE2 3.98Å; F197-F211 HydrophobicContact CD2-CE2 3.98Å; F197-F211 AromaticContact CE1-CD2 3.72Å; F197-F211 HydrophobicContact CE1-CD2 3.72Å; F197-F211 AromaticContact CE1-CE2 3.55Å; F197-F211 HydrophobicContact CE1-CE2 3.55Å; F197-F211 HydrophobicContact CE2-CE2 4.13Å; F197-F211 HydrophobicContact CG-CD2 4.24Å; F197-F211 AromaticContact CG-CE2 3.61Å; F197-F211 HydrophobicContact CG-CE2 3.61Å; F197-F211 HydrophobicContact CG-CZ 4.46Å; F197-F211 HydrophobicContact CZ-CD2 4.47Å; F197-F211 AromaticContact CZ-CE2 3.93Å; F197-F211 HydrophobicContact CZ-CE2 3.93Å; L201-F211 HydrophobicContact CD1-CD1 4.4Å; L201-F211 HydrophobicContact CD1-CD2 4.47Å; L201-F211 HydrophobicContact CD1-CG 4.3Å; L201-F211 HydrophobicContact CD2-CB 3.66Å; L201-F211 HydrophobicContact CD2-CD2 4.46Å; L201-F211 HydrophobicContact CD2-CG 4.02Å; S207-F211 WeakPolarHBondContact O-CB 3.42Å; S207-F211 PolarHBondContact O-N 3.37Å; C208-F211 PolarHBondContact O-N 3.4Å; F211-S213 VanDerWaalsContact C-N 3.25Å; F211-S213 PolarHBondContact O-N 2.87Å; F211-A214 VanDerWaalsContact O-CB 3.32Å; F211-A214 WeakPolarHBondContact O-CB 3.29Å; F211-A214 PolarHBondContact O-N 3.48Å; F211-A221 HydrophobicContact CD1-CB 4.21Å; F211-A221 HydrophobicContact CE1-CB 3.58Å; F211-A221 HydrophobicContact CE2-CB 4.26Å; F211-A221 HydrophobicContact CZ-CB 3.63Å; F211-L225 HydrophobicContact CE1-CD1 3.49Å; F211-L225 VanDerWaalsContact CE1-CD1 3.49Å; F211-L225 HydrophobicContact CE1-CG 4.17Å; F211-L225 HydrophobicContact CZ-CD1 3.83Å; F211-L225 HydrophobicContact CZ-CD2 4.5Å; F211-L225 HydrophobicContact CZ-CG 4.16Å; F211-L248 HydrophobicContact CB-CD2 4.46Å; F211-L248 HydrophobicContact CD1-CD1 3.92Å; F211-L248 HydrophobicContact CD1-CD2 4.17Å; F211-L248 HydrophobicContact CE1-CD1 4.13Å |
| 212 | H | 97.8 | Very high | 97.2 | Very high | 75 Ų | 75 | 55.9 Ų | 55.9 | 35% | 0.347 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.2 | -40.1 | 175.3 | 174.6 | 83.1 | 0 | 0 | 0 | 112.4 | C208 S209 A210 A214 I222 C253 | C208-H212 WeakPolarHBondContact O-CB 3.22Å; C208-H212 PolarHBondContact O-N 2.9Å; S209-H212 PolarHBondContact O-N 2.88Å; A210-H212 VanDerWaalsContact C-N 3.34Å; A210-H212 PolarHBondContact O-N 3.41Å; H212-A214 VanDerWaalsContact C-N 3.3Å; H212-I222 HydrophobicContact CB-CD1 4.38Å; H212-I222 WeakPolarHBondContact ND1-CD1 3.39Å; H212-C253 HydrophobicContact CB-CB 4.25Å; H212-C253 PolarHBondContact ND1-O 3.33Å |
| 213 | S | 96.3 | Very high | 97.3 | Very high | 98 Ų | 98 | 56.3 Ų | 56.3 | 69% | 0.685 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -2.6 | 178.2 | -58.2 | 0 | 0 | 0 | 0 | 113.8 | A210 F211 | A210-S213 PolarHBondContact O-N 3.39Å; F211-S213 VanDerWaalsContact C-N 3.25Å; F211-S213 PolarHBondContact O-N 2.87Å |
| 214 | A | 97.6 | Very high | 97.4 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | trans | -78.7 | 134.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I175 L179 A210 F211 H212 A221 | I175-A214 HydrophobicContact CG2-CB 3.79Å; L179-A214 HydrophobicContact CD2-CB 4Å; A210-A214 PolarHBondContact O-N 3.17Å; F211-A214 VanDerWaalsContact O-CB 3.32Å; F211-A214 WeakPolarHBondContact O-CB 3.29Å; F211-A214 PolarHBondContact O-N 3.48Å; H212-A214 VanDerWaalsContact C-N 3.3Å; A214-A221 HydrophobicContact CB-CB 4.11Å; A214-A221 WeakPolarHBondContact O-CB 3.45Å; A214-A221 PolarHBondContact O-N 3.29Å | ||
| 215 | E | 97.4 | Very high | 97.5 | Very high | 129 Ų | 129 | 52.1 Ų | 52.1 | 60% | 0.603 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 154.2 | 175.9 | 61.9 | 173.6 | -159.4 | 0 | 0 | 110.8 | I219 | E215-I219 VanDerWaalsContact CA-O 3.31Å; E215-I219 WeakPolarHBondContact CA-O 3.4Å; E215-I219 WeakPolarHBondContact CB-O 3.37Å |
| 216 | Y | 97.4 | Very high | 97.6 | Very high | 76 Ų | 76 | 48.3 Ų | 48.3 | 30% | 0.298 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 122.8 | 174.8 | -175.8 | -112.3 | 0 | 0 | 0 | 109.2 | P180 F183 G218 I219 | P180-Y216 HydrophobicContact CB-CD2 4.48Å; P180-Y216 HydrophobicContact CB-CE1 4.2Å; P180-Y216 HydrophobicContact CB-CE2 3.94Å; P180-Y216 HydrophobicContact CG-CD2 3.98Å; P180-Y216 HydrophobicContact CG-CE2 3.6Å; F183-Y216 HydrophobicContact CB-CD1 3.86Å; F183-Y216 HydrophobicContact CB-CE1 3.98Å; F183-Y216 HydrophobicContact CD1-CD1 4.03Å; F183-Y216 AromaticContact CD2-CD1 3.49Å; F183-Y216 HydrophobicContact CD2-CD1 3.49Å; F183-Y216 VanDerWaalsContact CD2-CD1 3.49Å; F183-Y216 HydrophobicContact CD2-CE1 4.34Å; F183-Y216 HydrophobicContact CD2-CG 4.02Å; F183-Y216 HydrophobicContact CE1-CD1 4.45Å; F183-Y216 AromaticContact CE2-CD1 4Å; F183-Y216 HydrophobicContact CE2-CD1 4Å; F183-Y216 HydrophobicContact CE2-CG 4.14Å; F183-Y216 AromaticContact CG-CD1 3.52Å; F183-Y216 HydrophobicContact CG-CD1 3.52Å; F183-Y216 HydrophobicContact CG-CE1 4.16Å; F183-Y216 HydrophobicContact CG-CG 4.44Å; F183-Y216 HydrophobicContact CZ-CD1 4.43Å; Y216-G218 PolarHBondContact O-N 3.24Å; Y216-I219 PolarHBondContact N-O 3.47Å; Y216-I219 PolarHBondContact O-N 3.25Å |
| 217 | H | 95.1 | Very high | 97.6 | Very high | 157 Ų | 157 | 48.5 Ų | 48.5 | 73% | 0.727 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 41 | -172.3 | -65.5 | -58.7 | 0 | 0 | 0 | 113.5 | I219 | H217-I219 VanDerWaalsContact C-N 3.25Å; H217-I219 PolarHBondContact O-N 3.08Å |
| 218 | G | 95.2 | Very high | 97.6 | Very high | 59 Ų | 59 | 48.5 Ų | 48.5 | 61% | 0.608 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 6.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y216 | Y216-G218 PolarHBondContact O-N 3.24Š|
| 219 | I | 97 | Very high | 97.6 | Very high | 85 Ų | 85 | 48.9 Ų | 48.9 | 44% | 0.436 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123.8 | 173.7 | -58 | 171.6 | 0 | 0 | 0 | 108.6 | F183 E215 Y216 H217 A221 | F183-I219 HydrophobicContact CE1-CB 3.84Å; F183-I219 HydrophobicContact CE1-CD1 4.17Å; F183-I219 HydrophobicContact CE1-CG2 3.84Å; F183-I219 HydrophobicContact CZ-CB 4.26Å; F183-I219 HydrophobicContact CZ-CG2 4.24Å; E215-I219 VanDerWaalsContact CA-O 3.31Å; E215-I219 WeakPolarHBondContact CA-O 3.4Å; E215-I219 WeakPolarHBondContact CB-O 3.37Å; Y216-I219 PolarHBondContact N-O 3.47Å; Y216-I219 PolarHBondContact O-N 3.25Å; H217-I219 VanDerWaalsContact C-N 3.25Å; H217-I219 PolarHBondContact O-N 3.08Å; I219-A221 PolarHBondContact O-N 3.25Å |
| 220 | S | 97.4 | Very high | 97.6 | Very high | 41 Ų | 41 | 48.7 Ų | 48.7 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 135.5 | 173.7 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | I222 E223 R224 | S220-I222 PolarHBondContact O-N 3.34Å; S220-I222 PolarHBondContact OG-N 3.17Å; S220-E223 PolarHBondContact O-N 3.47Å; S220-R224 PolarHBondContact O-N 3.33Å |
| 221 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.3 | -33.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | L179 F211 A214 I219 R224 L225 | L179-A221 HydrophobicContact CD1-CB 3.74Å; L179-A221 HydrophobicContact CD2-CB 4.29Å; F211-A221 HydrophobicContact CD1-CB 4.21Å; F211-A221 HydrophobicContact CE1-CB 3.58Å; F211-A221 HydrophobicContact CE2-CB 4.26Å; F211-A221 HydrophobicContact CZ-CB 3.63Å; A214-A221 HydrophobicContact CB-CB 4.11Å; A214-A221 WeakPolarHBondContact O-CB 3.45Å; A214-A221 PolarHBondContact O-N 3.29Å; I219-A221 PolarHBondContact O-N 3.25Å; A221-R224 PolarHBondContact O-N 3.05Å; A221-L225 WeakPolarHBondContact O-CG 3.39Å; A221-L225 PolarHBondContact O-N 3.02Å |
| 222 | I | 98.5 | Very high | 97.2 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 5% | 0.046 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.7 | -48.1 | 176.7 | -65.5 | 174.5 | 0 | 0 | 0 | 110.7 | H212 S220 R224 L225 F226 L245 L248 L254 A258 | H212-I222 HydrophobicContact CB-CD1 4.38Å; H212-I222 WeakPolarHBondContact ND1-CD1 3.39Å; S220-I222 PolarHBondContact O-N 3.34Å; S220-I222 PolarHBondContact OG-N 3.17Å; I222-R224 PolarHBondContact O-N 3.23Å; I222-L225 WeakPolarHBondContact O-CB 3.32Å; I222-L225 PolarHBondContact O-N 3.14Å; I222-L225 VanDerWaalsContact O-N 3.1Å; I222-F226 HydrophobicContact CG2-CD2 3.98Å; I222-F226 HydrophobicContact CG2-CE2 3.76Å; I222-F226 WeakPolarHBondContact O-CD2 3.39Å; I222-F226 PolarHBondContact O-N 3.43Å; I222-L245 HydrophobicContact CG2-CD2 4.3Å; I222-L248 HydrophobicContact CG1-CD1 4.23Å; I222-L254 HydrophobicContact CD1-CD2 3.96Å; I222-L254 HydrophobicContact CG1-CD2 4.38Å; I222-L254 HydrophobicContact CG2-CD2 3.97Å; I222-A258 HydrophobicContact CG2-CB 4.35Å |
| 223 | E | 98.1 | Very high | 97.1 | Very high | 87 Ų | 87 | 55.8 Ų | 55.8 | 41% | 0.407 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.4 | -36.5 | 176.6 | -73.5 | -54.6 | 137.3 | 0 | 0 | 111.5 | S220 F226 S227 R261 | S220-E223 PolarHBondContact O-N 3.47Å; E223-F226 PolarHBondContact O-N 3.32Å; E223-S227 PolarHBondContact O-N 2.89Å; E223-R261 VanDerWaalsContact CD-NH1 3.34Å; E223-R261 IonicContact OE1-NH1 2.89Å; E223-R261 PolarHBondContact OE1-NH1 2.97Å; E223-R261 VanDerWaalsContact OE1-NH1 3.15Å; E223-R261 IonicContact OE2-CZ 3.34Å; E223-R261 IonicContact OE2-NH1 3.12Å; E223-R261 PolarHBondContact OE2-NH1 2.81Å |
| 224 | R | 98.2 | Very high | 97.1 | Very high | 48 Ų | 48 | 52.9 Ų | 52.9 | 18% | 0.181 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 172.8 | -177 | 61.5 | -171.3 | 159.7 | -8.9 | 111.6 | L182 F183 S220 A221 I222 F226 S227 L228 | L182-R224 HydrophobicContact CB-CG 4.11Å; L182-R224 VanDerWaalsContact O-CZ 3.25Å; L182-R224 PolarHBondContact O-NE 3.43Å; L182-R224 PolarHBondContact O-NH2 3.11Å; F183-R224 HydrophobicContact CD1-CG 4.11Å; F183-R224 HydrophobicContact CD2-CG 4.26Å; F183-R224 HydrophobicContact CE1-CB 3.86Å; F183-R224 HydrophobicContact CE1-CG 3.71Å; F183-R224 HydrophobicContact CE2-CB 4.15Å; F183-R224 HydrophobicContact CE2-CG 3.85Å; F183-R224 HydrophobicContact CG-CG 4.38Å; F183-R224 HydrophobicContact CZ-CB 3.53Å; F183-R224 HydrophobicContact CZ-CG 3.57Å; S220-R224 PolarHBondContact O-N 3.33Å; A221-R224 PolarHBondContact O-N 3.05Å; I222-R224 PolarHBondContact O-N 3.23Å; R224-F226 VanDerWaalsContact C-N 3.33Å; R224-F226 PolarHBondContact O-N 3.11Å; R224-S227 WeakPolarHBondContact CD-OG 3.27Å; R224-S227 PolarHBondContact NH1-OG 3.48Å; R224-S227 WeakPolarHBondContact O-CB 3.38Å; R224-S227 PolarHBondContact O-N 2.99Å; R224-S227 VanDerWaalsContact O-N 3.12Å; R224-S227 PolarHBondContact O-OG 3.39Å; R224-L228 WeakPolarHBondContact O-CG 3.37Å; R224-L228 PolarHBondContact O-N 2.96Å |
| 225 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.7 | -44.4 | 176.6 | -72.7 | 178 | 0 | 0 | 0 | 112 | L182 F211 A221 I222 S227 L228 A241 C244 L245 L248 | L182-L225 HydrophobicContact CD1-CD2 4.05Å; F211-L225 HydrophobicContact CE1-CD1 3.49Å; F211-L225 VanDerWaalsContact CE1-CD1 3.49Å; F211-L225 HydrophobicContact CE1-CG 4.17Å; F211-L225 HydrophobicContact CZ-CD1 3.83Å; F211-L225 HydrophobicContact CZ-CD2 4.5Å; F211-L225 HydrophobicContact CZ-CG 4.16Å; A221-L225 WeakPolarHBondContact O-CG 3.39Å; A221-L225 PolarHBondContact O-N 3.02Å; I222-L225 WeakPolarHBondContact O-CB 3.32Å; I222-L225 PolarHBondContact O-N 3.14Å; I222-L225 VanDerWaalsContact O-N 3.1Å; L225-S227 VanDerWaalsContact C-N 3.34Å; L225-S227 PolarHBondContact O-N 3.26Å; L225-L228 WeakPolarHBondContact O-CB 3.43Å; L225-L228 PolarHBondContact O-N 3.13Å; L225-A241 HydrophobicContact CD2-CB 4.18Å; L225-C244 HydrophobicContact CD1-CB 3.51Å; L225-C244 HydrophobicContact CD2-CB 3.95Å; L225-C244 HydrophobicContact CG-CB 4.38Å; L225-L245 HydrophobicContact CB-CD1 4.28Å; L225-L245 HydrophobicContact CB-CD2 3.95Å; L225-L245 HydrophobicContact CB-CG 4Å; L225-L245 HydrophobicContact CD1-CD2 4.16Å; L225-L245 HydrophobicContact CD1-CG 4.29Å; L225-L248 HydrophobicContact CD1-CD1 3.9Å |
| 226 | F | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 174.8 | -79.4 | -74.2 | 0 | 0 | 0 | 112.4 | I222 E223 R224 L228 L229 L245 A258 R261 I262 E265 V266 | I222-F226 HydrophobicContact CG2-CD2 3.98Å; I222-F226 HydrophobicContact CG2-CE2 3.76Å; I222-F226 WeakPolarHBondContact O-CD2 3.39Å; I222-F226 PolarHBondContact O-N 3.43Å; E223-F226 PolarHBondContact O-N 3.32Å; R224-F226 VanDerWaalsContact C-N 3.33Å; R224-F226 PolarHBondContact O-N 3.11Å; F226-L228 PolarHBondContact O-N 3.35Å; F226-L229 HydrophobicContact CD1-CD1 3.93Å; F226-L229 VanDerWaalsContact O-CB 3.28Å; F226-L229 WeakPolarHBondContact O-CB 3.42Å; F226-L229 WeakPolarHBondContact O-CG 3.28Å; F226-L229 PolarHBondContact O-N 2.86Å; F226-L245 HydrophobicContact CD1-CD1 3.8Å; F226-L245 HydrophobicContact CD2-CD1 4.43Å; F226-L245 HydrophobicContact CD2-CD2 3.93Å; F226-L245 HydrophobicContact CE1-CD1 3.84Å; F226-L245 HydrophobicContact CE1-CD2 4.35Å; F226-L245 HydrophobicContact CE2-CD1 4.47Å; F226-L245 HydrophobicContact CE2-CD2 3.62Å; F226-L245 HydrophobicContact CG-CD1 4.09Å; F226-L245 HydrophobicContact CG-CD2 4.41Å; F226-L245 HydrophobicContact CZ-CD1 4.19Å; F226-L245 HydrophobicContact CZ-CD2 3.84Å; F226-A258 HydrophobicContact CE2-CB 3.85Å; F226-A258 HydrophobicContact CZ-CB 4.2Å; F226-R261 HydrophobicContact CD1-CB 4.26Å; F226-R261 HydrophobicContact CE1-CB 3.51Å; F226-R261 HydrophobicContact CZ-CB 3.8Å; F226-I262 HydrophobicContact CZ-CD1 4.33Å; F226-E265 HydrophobicContact CD1-CB 4.49Å; F226-V266 HydrophobicContact CE1-CG2 4.1Å |
| 227 | S | 97.8 | Very high | 97 | Very high | 51 Ų | 51 | 45.7 Ų | 45.7 | 36% | 0.357 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.7 | -30.8 | 176.4 | 81.5 | 0 | 0 | 0 | 0 | 112.8 | E223 R224 L225 L229 S230 N233 | E223-S227 PolarHBondContact O-N 2.89Å; R224-S227 WeakPolarHBondContact CD-OG 3.27Å; R224-S227 PolarHBondContact NH1-OG 3.48Å; R224-S227 WeakPolarHBondContact O-CB 3.38Å; R224-S227 PolarHBondContact O-N 2.99Å; R224-S227 VanDerWaalsContact O-N 3.12Å; R224-S227 PolarHBondContact O-OG 3.39Å; L225-S227 VanDerWaalsContact C-N 3.34Å; L225-S227 PolarHBondContact O-N 3.26Å; S227-L229 PolarHBondContact O-N 3.24Å; S227-S230 VanDerWaalsContact O-CB 3.27Å; S227-S230 WeakPolarHBondContact O-CB 3.39Å; S227-S230 PolarHBondContact O-N 3.45Å; S227-N233 PolarHBondContact O-ND2 3.47Å |
| 228 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.7 | -16.1 | 177.2 | -69.7 | 177.5 | 0 | 0 | 0 | 113.1 | L182 V194 R224 L225 F226 S230 N233 V237 Q238 A241 | L182-L228 HydrophobicContact CB-CD1 4.34Å; L182-L228 HydrophobicContact CD2-CD1 4.24Å; V194-L228 HydrophobicContact CG1-CD1 3.87Å; R224-L228 WeakPolarHBondContact O-CG 3.37Å; R224-L228 PolarHBondContact O-N 2.96Å; L225-L228 WeakPolarHBondContact O-CB 3.43Å; L225-L228 PolarHBondContact O-N 3.13Å; F226-L228 PolarHBondContact O-N 3.35Å; L228-S230 PolarHBondContact O-N 3.25Å; L228-N233 WeakPolarHBondContact CA-ND2 3.17Å; L228-N233 PolarHBondContact O-ND2 3.43Å; L228-V237 HydrophobicContact CB-CG1 4.2Å; L228-V237 HydrophobicContact CD1-CG1 4.29Å; L228-V237 HydrophobicContact CD2-CG1 3.92Å; L228-V237 HydrophobicContact CG-CG1 4.36Å; L228-Q238 WeakPolarHBondContact O-CG 3.35Å; L228-A241 HydrophobicContact CB-CB 3.76Å; L228-A241 HydrophobicContact CD1-CB 4.49Å |
| 229 | L | 98.3 | Very high | 97.3 | Very high | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -11.6 | 172.3 | -54.9 | 178.3 | 0 | 0 | 0 | 113 | F226 S227 A241 A242 L245 E265 V266 K269 | F226-L229 HydrophobicContact CD1-CD1 3.93Å; F226-L229 VanDerWaalsContact O-CB 3.28Å; F226-L229 WeakPolarHBondContact O-CB 3.42Å; F226-L229 WeakPolarHBondContact O-CG 3.28Å; F226-L229 PolarHBondContact O-N 2.86Å; S227-L229 PolarHBondContact O-N 3.24Å; L229-A241 HydrophobicContact CD2-CB 4.01Å; L229-A242 HydrophobicContact CD2-CB 3.94Å; L229-L245 HydrophobicContact CD1-CD1 3.81Å; L229-L245 HydrophobicContact CD2-CD1 4.43Å; L229-L245 HydrophobicContact CG-CD1 4.31Å; L229-E265 HydrophobicContact CD1-CB 4.1Å; L229-V266 HydrophobicContact CD1-CG2 3.94Å; L229-K269 HydrophobicContact CD2-CG 4.23Å; L229-K269 WeakPolarHBondContact O-CE 3.41Å; L229-K269 PolarHBondContact O-NZ 3.12Å |
| 230 | S | 96.6 | Very high | 97.3 | Very high | 51 Ų | 51 | 32 Ų | 32 | 36% | 0.357 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -56.3 | 141.4 | 179.8 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | S227 L228 I232 N233 Q238 | S227-S230 VanDerWaalsContact O-CB 3.27Å; S227-S230 WeakPolarHBondContact O-CB 3.39Å; S227-S230 PolarHBondContact O-N 3.45Å; L228-S230 PolarHBondContact O-N 3.25Å; S230-I232 PolarHBondContact O-N 3.2Å; S230-I232 WeakPolarHBondContact OG-CG2 3.31Å; S230-N233 PolarHBondContact O-N 3.42Å; S230-N233 VanDerWaalsContact O-N 3.13Å; S230-N233 PolarHBondContact O-ND2 3.33Å; S230-Q238 PolarHBondContact O-NE2 3.03Å |
| 231 | P | 94.7 | Very high | 97.4 | Very high | 88 Ų | 88 | 30 Ų | 30 | 57% | 0.571 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -16.5 | 177.8 | -24.4 | 34.2 | 0 | 0 | 0 | 115.6 | N233 | P231-N233 VanDerWaalsContact C-N 3.26Å; P231-N233 PolarHBondContact O-N 2.96Å |
| 232 | I | 94.3 | Very high | 97.4 | Very high | 147 Ų | 147 | 30 Ų | 30 | 75% | 0.754 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -24.2 | 177.4 | -162 | 169.8 | 0 | 0 | 0 | 112.8 | S230 | S230-I232 PolarHBondContact O-N 3.2Å; S230-I232 WeakPolarHBondContact OG-CG2 3.31Å |
| 233 | N | 95.5 | Very high | 97.4 | Very high | 26 Ų | 26 | 32.1 Ų | 32.1 | 14% | 0.139 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -85 | 159 | -178.2 | -57.9 | -61.1 | 0 | 0 | 0 | 110.9 | S227 L228 S230 P231 V237 Q238 | S227-N233 PolarHBondContact O-ND2 3.47Å; L228-N233 WeakPolarHBondContact CA-ND2 3.17Å; L228-N233 PolarHBondContact O-ND2 3.43Å; S230-N233 PolarHBondContact O-N 3.42Å; S230-N233 VanDerWaalsContact O-N 3.13Å; S230-N233 PolarHBondContact O-ND2 3.33Å; P231-N233 VanDerWaalsContact C-N 3.26Å; P231-N233 PolarHBondContact O-N 2.96Å; N233-V237 HydrophobicContact CB-CB 4.42Å; N233-V237 HydrophobicContact CB-CG1 4.31Å; N233-Q238 HydrophobicContact CB-CG 4.26Å; N233-Q238 PolarHBondContact O-NE2 2.78Å |
| 234 | A | 95.4 | Very high | 97.5 | Very high | 38 Ų | 38 | 28 Ų | 28 | 31% | 0.314 | 16% | 0.156 | S | C | . | . | trans | -64.1 | 149.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | V187 G236 V237 Q238 | V187-A234 HydrophobicContact CG1-CB 3.64Å; A234-G236 VanDerWaalsContact C-N 3.29Å; A234-G236 PolarHBondContact O-N 2.78Å; A234-V237 HydrophobicContact CB-CG2 4.29Å; A234-V237 WeakPolarHBondContact O-CB 3.43Å; A234-V237 PolarHBondContact O-N 3.48Å; A234-Q238 WeakPolarHBondContact O-CG 3.45Å; A234-Q238 PolarHBondContact O-N 2.74Å | ||
| 235 | Y | 96.7 | Very high | 97.5 | Very high | 54 Ų | 54 | 25.7 Ų | 25.7 | 21% | 0.212 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.6 | -36.6 | -178.6 | -67.3 | -58.6 | 0 | 0 | 0 | 113.3 | V237 Q238 L239 L276 W280 | Y235-V237 VanDerWaalsContact C-N 3.32Å; Y235-V237 PolarHBondContact O-N 3.27Å; Y235-Q238 PolarHBondContact O-N 3.49Å; Y235-L239 WeakPolarHBondContact O-CB 3.31Å; Y235-L239 PolarHBondContact O-N 3.4Å; Y235-L276 HydrophobicContact CD1-CD1 3.89Å; Y235-L276 HydrophobicContact CD1-CD2 4.33Å; Y235-L276 HydrophobicContact CD2-CD1 3.68Å; Y235-L276 HydrophobicContact CD2-CD2 4.3Å; Y235-L276 HydrophobicContact CE1-CD1 4.24Å; Y235-L276 HydrophobicContact CE1-CD2 3.82Å; Y235-L276 HydrophobicContact CE2-CD1 4.03Å; Y235-L276 HydrophobicContact CE2-CD2 3.77Å; Y235-L276 HydrophobicContact CG-CD1 3.61Å; Y235-W280 HydrophobicContact CD2-CB 4.23Å; Y235-W280 HydrophobicContact CE2-CB 4.06Å; Y235-W280 HydrophobicContact CE2-CD2 4.27Å; Y235-W280 HydrophobicContact CE2-CE3 4.17Å; Y235-W280 HydrophobicContact CE2-CG 4.22Å |
| 236 | G | 96.1 | Very high | 97.5 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 7% | 0.072 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.7 | -38.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A234 L239 G240 | A234-G236 VanDerWaalsContact C-N 3.29Å; A234-G236 PolarHBondContact O-N 2.78Å; G236-L239 PolarHBondContact O-N 2.87Å; G236-G240 PolarHBondContact O-N 2.82Å |
| 237 | V | 97.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68 | -45.4 | 176 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | V187 Q190 L191 V194 L228 N233 A234 Y235 L239 G240 A241 | V187-V237 HydrophobicContact CG1-CG2 4.17Å; Q190-V237 HydrophobicContact CB-CG1 4.07Å; Q190-V237 HydrophobicContact CB-CG2 3.88Å; L191-V237 HydrophobicContact CB-CG2 4.19Å; L191-V237 HydrophobicContact CD1-CG2 4.49Å; V194-V237 HydrophobicContact CG1-CG1 4.42Å; L228-V237 HydrophobicContact CB-CG1 4.2Å; L228-V237 HydrophobicContact CD1-CG1 4.29Å; L228-V237 HydrophobicContact CD2-CG1 3.92Å; L228-V237 HydrophobicContact CG-CG1 4.36Å; N233-V237 HydrophobicContact CB-CB 4.42Å; N233-V237 HydrophobicContact CB-CG1 4.31Å; A234-V237 HydrophobicContact CB-CG2 4.29Å; A234-V237 WeakPolarHBondContact O-CB 3.43Å; A234-V237 PolarHBondContact O-N 3.48Å; Y235-V237 VanDerWaalsContact C-N 3.32Å; Y235-V237 PolarHBondContact O-N 3.27Å; V237-L239 VanDerWaalsContact C-N 3.31Å; V237-L239 PolarHBondContact O-N 3.12Å; V237-G240 PolarHBondContact O-N 3.32Å; V237-A241 WeakPolarHBondContact O-CB 3.42Å; V237-A241 PolarHBondContact O-N 3.01Å |
| 238 | Q | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 176.4 | -64.3 | 174.6 | 35.2 | 0 | 0 | 111.2 | L228 S230 N233 A234 Y235 A241 A242 K269 | L228-Q238 WeakPolarHBondContact O-CG 3.35Å; S230-Q238 PolarHBondContact O-NE2 3.03Å; N233-Q238 HydrophobicContact CB-CG 4.26Å; N233-Q238 PolarHBondContact O-NE2 2.78Å; A234-Q238 WeakPolarHBondContact O-CG 3.45Å; A234-Q238 PolarHBondContact O-N 2.74Å; Y235-Q238 PolarHBondContact O-N 3.49Å; Q238-A241 PolarHBondContact O-N 3.09Å; Q238-A242 WeakPolarHBondContact O-CB 3.43Å; Q238-A242 PolarHBondContact O-N 3.16Å; Q238-K269 HydrophobicContact CB-CD 4.11Å; Q238-K269 HydrophobicContact CB-CG 4.45Å |
| 239 | L | 98.3 | Very high | 97.5 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 6% | 0.058 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.8 | -49.8 | 177.7 | 178 | 54.1 | 0 | 0 | 0 | 111.8 | Y235 G236 V237 A241 A242 R243 L270 I273 M285 A289 | Y235-L239 WeakPolarHBondContact O-CB 3.31Å; Y235-L239 PolarHBondContact O-N 3.4Å; G236-L239 PolarHBondContact O-N 2.87Å; V237-L239 VanDerWaalsContact C-N 3.31Å; V237-L239 PolarHBondContact O-N 3.12Å; L239-A241 VanDerWaalsContact C-N 3.28Å; L239-A241 PolarHBondContact O-N 3.37Å; L239-A242 PolarHBondContact O-N 3.31Å; L239-R243 HydrophobicContact CD1-CG 4.22Å; L239-R243 WeakPolarHBondContact O-CG 3.41Å; L239-R243 PolarHBondContact O-N 3.08Å; L239-L270 HydrophobicContact CD1-CD2 3.93Å; L239-I273 HydrophobicContact CB-CD1 3.87Å; L239-I273 HydrophobicContact CD1-CD1 4.26Å; L239-M285 HydrophobicContact CD2-CB 4.48Å; L239-M285 HydrophobicContact CD2-CG 3.7Å; L239-A289 HydrophobicContact CD1-CB 3.8Å |
| 240 | G | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G236 V237 R243 C244 | G236-G240 PolarHBondContact O-N 2.82Å; V237-G240 PolarHBondContact O-N 3.32Å; G240-R243 PolarHBondContact O-N 2.85Å; G240-C244 PolarHBondContact O-N 2.91Å; G240-C244 VanDerWaalsContact O-N 3.08Å; G240-C244 PolarHBondContact O-SG 3.49Å |
| 241 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.1 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V194 L225 L228 L229 V237 Q238 L239 R243 C244 L245 | V194-A241 HydrophobicContact CG1-CB 4.47Å; L225-A241 HydrophobicContact CD2-CB 4.18Å; L228-A241 HydrophobicContact CB-CB 3.76Å; L228-A241 HydrophobicContact CD1-CB 4.49Å; L229-A241 HydrophobicContact CD2-CB 4.01Å; V237-A241 WeakPolarHBondContact O-CB 3.42Å; V237-A241 PolarHBondContact O-N 3.01Å; Q238-A241 PolarHBondContact O-N 3.09Å; L239-A241 VanDerWaalsContact C-N 3.28Å; L239-A241 PolarHBondContact O-N 3.37Å; A241-R243 VanDerWaalsContact C-N 3.32Å; A241-R243 PolarHBondContact O-N 3.3Å; A241-C244 PolarHBondContact O-N 3.46Å; A241-L245 WeakPolarHBondContact O-CG 3.29Å; A241-L245 PolarHBondContact O-N 3.26Å; A241-L245 VanDerWaalsContact O-N 3.08Å |
| 242 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L229 Q238 L239 L245 V246 V266 L270 | L229-A242 HydrophobicContact CD2-CB 3.94Å; Q238-A242 WeakPolarHBondContact O-CB 3.43Å; Q238-A242 PolarHBondContact O-N 3.16Å; L239-A242 PolarHBondContact O-N 3.31Å; A242-L245 PolarHBondContact O-N 2.83Å; A242-V246 WeakPolarHBondContact O-CG2 3.39Å; A242-V246 PolarHBondContact O-N 3.07Å; A242-V266 HydrophobicContact CB-CG1 4.14Å; A242-L270 HydrophobicContact CB-CD2 3.74Å; A242-L270 HydrophobicContact CB-CG 4.13Å |
| 243 | R | 98.8 | Very high | 97.8 | Very high | 54 Ų | 54 | 20.6 Ų | 20.6 | 20% | 0.204 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59 | -48.1 | 175.5 | -73.1 | 171.9 | 67.2 | -172.3 | -4.8 | 112.2 | A198 L239 G240 A241 L245 V246 Y247 S288 A292 | A198-R243 HydrophobicContact CB-CB 4.08Å; L239-R243 HydrophobicContact CD1-CG 4.22Å; L239-R243 WeakPolarHBondContact O-CG 3.41Å; L239-R243 PolarHBondContact O-N 3.08Å; G240-R243 PolarHBondContact O-N 2.85Å; A241-R243 VanDerWaalsContact C-N 3.32Å; A241-R243 PolarHBondContact O-N 3.3Å; R243-L245 VanDerWaalsContact C-N 3.3Å; R243-L245 PolarHBondContact O-N 2.85Å; R243-V246 PolarHBondContact O-N 3.44Å; R243-Y247 HydrophobicContact CB-CE2 3.97Å; R243-Y247 PolarHBondContact NE-OH 3.38Å; R243-Y247 VanDerWaalsContact NE-OH 3.14Å; R243-Y247 WeakPolarHBondContact O-CD1 3.38Å; R243-Y247 VanDerWaalsContact O-CD2 3.3Å; R243-Y247 WeakPolarHBondContact O-CD2 3.32Å; R243-Y247 PolarHBondContact O-N 3.12Å; R243-S288 WeakPolarHBondContact CD-OG 3.38Å; R243-S288 PolarHBondContact NH1-OG 3.34Å; R243-A292 HydrophobicContact CG-CB 3.81Å |
| 244 | C | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.5 | -45.7 | 177.3 | -65.1 | 0 | 0 | 0 | 0 | 111.4 | A198 L201 L225 G240 A241 Y247 L248 | A198-C244 PolarHBondContact N-SG 3.48Å; A198-C244 VanDerWaalsContact N-SG 3.36Å; L201-C244 HydrophobicContact CD1-CB 3.77Å; L225-C244 HydrophobicContact CD1-CB 3.51Å; L225-C244 HydrophobicContact CD2-CB 3.95Å; L225-C244 HydrophobicContact CG-CB 4.38Å; G240-C244 PolarHBondContact O-N 2.91Å; G240-C244 VanDerWaalsContact O-N 3.08Å; G240-C244 PolarHBondContact O-SG 3.49Å; A241-C244 PolarHBondContact O-N 3.46Å; C244-Y247 PolarHBondContact O-N 3.37Å; C244-L248 VanDerWaalsContact O-CG 3.31Å; C244-L248 WeakPolarHBondContact O-CG 3.47Å; C244-L248 PolarHBondContact O-N 2.87Å |
| 245 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | 178.5 | -69.2 | 168 | 0 | 0 | 0 | 112.5 | I222 L225 F226 L229 A241 A242 R243 Y247 L248 M249 L254 I262 V266 | I222-L245 HydrophobicContact CG2-CD2 4.3Å; L225-L245 HydrophobicContact CB-CD1 4.28Å; L225-L245 HydrophobicContact CB-CD2 3.95Å; L225-L245 HydrophobicContact CB-CG 4Å; L225-L245 HydrophobicContact CD1-CD2 4.16Å; L225-L245 HydrophobicContact CD1-CG 4.29Å; F226-L245 HydrophobicContact CD1-CD1 3.8Å; F226-L245 HydrophobicContact CD2-CD1 4.43Å; F226-L245 HydrophobicContact CD2-CD2 3.93Å; F226-L245 HydrophobicContact CE1-CD1 3.84Å; F226-L245 HydrophobicContact CE1-CD2 4.35Å; F226-L245 HydrophobicContact CE2-CD1 4.47Å; F226-L245 HydrophobicContact CE2-CD2 3.62Å; F226-L245 HydrophobicContact CG-CD1 4.09Å; F226-L245 HydrophobicContact CG-CD2 4.41Å; F226-L245 HydrophobicContact CZ-CD1 4.19Å; F226-L245 HydrophobicContact CZ-CD2 3.84Å; L229-L245 HydrophobicContact CD1-CD1 3.81Å; L229-L245 HydrophobicContact CD2-CD1 4.43Å; L229-L245 HydrophobicContact CG-CD1 4.31Å; A241-L245 WeakPolarHBondContact O-CG 3.29Å; A241-L245 PolarHBondContact O-N 3.26Å; A241-L245 VanDerWaalsContact O-N 3.08Å; A242-L245 PolarHBondContact O-N 2.83Å; R243-L245 VanDerWaalsContact C-N 3.3Å; R243-L245 PolarHBondContact O-N 2.85Å; L245-Y247 VanDerWaalsContact C-N 3.33Å; L245-Y247 PolarHBondContact O-N 3.43Å; L245-L248 PolarHBondContact O-N 2.94Å; L245-M249 WeakPolarHBondContact O-CB 3.23Å; L245-M249 PolarHBondContact O-N 3.44Å; L245-L254 HydrophobicContact CD2-CD2 4.46Å; L245-I262 HydrophobicContact CB-CD1 4.31Å; L245-V266 HydrophobicContact CB-CG2 4.14Å; L245-V266 HydrophobicContact CD1-CG2 3.75Å |
| 246 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 173.5 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | A242 R243 M249 R250 V266 L270 Y295 C296 | A242-V246 WeakPolarHBondContact O-CG2 3.39Å; A242-V246 PolarHBondContact O-N 3.07Å; R243-V246 PolarHBondContact O-N 3.44Å; V246-M249 WeakPolarHBondContact O-CB 3.38Å; V246-M249 PolarHBondContact O-N 3.24Å; V246-R250 HydrophobicContact CG1-CG 4.37Å; V246-R250 VanDerWaalsContact O-CG 3.25Å; V246-R250 WeakPolarHBondContact O-CG 3.41Å; V246-R250 PolarHBondContact O-N 3.26Å; V246-V266 HydrophobicContact CG2-CG1 3.91Å; V246-L270 HydrophobicContact CG2-CD1 4.24Å; V246-Y295 HydrophobicContact CG1-CD1 3.74Å; V246-Y295 HydrophobicContact CG1-CG 4.33Å; V246-C296 HydrophobicContact CG1-CB 3.93Å; V246-C296 HydrophobicContact CG2-CB 3.76Å |
| 247 | Y | 98.7 | Very high | 98.1 | Very high | 13 Ų | 13 | 26.4 Ų | 26.4 | 5% | 0.051 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69 | -38.2 | -178.1 | -55.8 | -20.6 | 0 | 0 | 0 | 112.3 | A198 L201 Y202 R243 C244 L245 R250 K251 Y295 | A198-Y247 HydrophobicContact CB-CE2 4.15Å; A198-Y247 VanDerWaalsContact O-CD2 3.26Å; A198-Y247 WeakPolarHBondContact O-CD2 3.29Å; A198-Y247 WeakPolarHBondContact O-CE2 3.24Å; L201-Y247 HydrophobicContact CB-CD2 4.17Å; Y202-Y247 HydrophobicContact CD2-CD1 4.1Å; Y202-Y247 HydrophobicContact CD2-CD2 4.4Å; Y202-Y247 AromaticContact CD2-CE1 3.67Å; Y202-Y247 HydrophobicContact CD2-CE1 3.67Å; Y202-Y247 HydrophobicContact CD2-CE2 4Å; Y202-Y247 HydrophobicContact CD2-CG 4.46Å; Y202-Y247 AromaticContact CD2-CZ 3.62Å; Y202-Y247 HydrophobicContact CE2-CE1 4.17Å; Y202-Y247 HydrophobicContact CG-CE2 4.5Å; R243-Y247 HydrophobicContact CB-CE2 3.97Å; R243-Y247 PolarHBondContact NE-OH 3.38Å; R243-Y247 VanDerWaalsContact NE-OH 3.14Å; R243-Y247 WeakPolarHBondContact O-CD1 3.38Å; R243-Y247 VanDerWaalsContact O-CD2 3.3Å; R243-Y247 WeakPolarHBondContact O-CD2 3.32Å; R243-Y247 PolarHBondContact O-N 3.12Å; C244-Y247 PolarHBondContact O-N 3.37Å; L245-Y247 VanDerWaalsContact C-N 3.33Å; L245-Y247 PolarHBondContact O-N 3.43Å; Y247-R250 PolarHBondContact O-N 3.09Å; Y247-K251 PolarHBondContact O-N 3.11Å; Y247-Y295 AromaticContact CD1-CD1 3.62Å; Y247-Y295 HydrophobicContact CD1-CD1 3.62Å; Y247-Y295 AromaticContact CD1-CE1 3.65Å; Y247-Y295 HydrophobicContact CD1-CE1 3.65Å; Y247-Y295 AromaticContact CE1-CD1 3.79Å; Y247-Y295 HydrophobicContact CE1-CD1 3.79Å; Y247-Y295 HydrophobicContact CE1-CE1 4.18Å |
| 248 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | 172.3 | -71.4 | 163.7 | 0 | 0 | 0 | 111.6 | L201 C208 F211 I222 L225 C244 L245 R250 K251 G252 C253 L254 | L201-L248 HydrophobicContact CD1-CD1 4.47Å; L201-L248 HydrophobicContact CD1-CG 4.28Å; L201-L248 HydrophobicContact CD2-CD2 4.23Å; C208-L248 HydrophobicContact CB-CD2 3.91Å; F211-L248 HydrophobicContact CB-CD2 4.46Å; F211-L248 HydrophobicContact CD1-CD1 3.92Å; F211-L248 HydrophobicContact CD1-CD2 4.17Å; F211-L248 HydrophobicContact CE1-CD1 4.13Å; I222-L248 HydrophobicContact CG1-CD1 4.23Å; L225-L248 HydrophobicContact CD1-CD1 3.9Å; C244-L248 VanDerWaalsContact O-CG 3.31Å; C244-L248 WeakPolarHBondContact O-CG 3.47Å; C244-L248 PolarHBondContact O-N 2.87Å; L245-L248 PolarHBondContact O-N 2.94Å; L248-R250 PolarHBondContact O-N 3.2Å; L248-K251 CarbonylContact O-C 3.58Å; L248-K251 PolarHBondContact O-N 2.84Å; L248-G252 PolarHBondContact O-N 3.38Å; L248-C253 HydrophobicContact CB-CB 4.46Å; L248-C253 HydrophobicContact CD2-CB 3.89Å; L248-C253 PolarHBondContact O-N 3.35Å; L248-L254 HydrophobicContact CB-CD2 3.69Å; L248-L254 HydrophobicContact CB-CG 3.94Å; L248-L254 HydrophobicContact CD1-CD2 4.2Å |
| 249 | M | 98.2 | Very high | 98 | Very high | 21 Ų | 21 | 30 Ų | 30 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56 | -51.1 | 175.1 | 174.9 | -177.1 | 80.4 | 0 | 0 | 111 | L245 V246 K251 G252 L254 M259 I262 C296 L303 | L245-M249 WeakPolarHBondContact O-CB 3.23Å; L245-M249 PolarHBondContact O-N 3.44Å; V246-M249 WeakPolarHBondContact O-CB 3.38Å; V246-M249 PolarHBondContact O-N 3.24Å; M249-K251 PolarHBondContact O-N 3.29Å; M249-K251 VanDerWaalsContact O-N 3.16Å; M249-G252 PolarHBondContact O-N 3Å; M249-L254 HydrophobicContact CB-CD1 3.79Å; M249-M259 HydrophobicContact CB-SD 4.24Å; M249-M259 HydrophobicContact CG-CE 3.78Å; M249-M259 HydrophobicContact CG-SD 3.66Å; M249-M259 HydrophobicContact SD-CE 4.06Å; M249-M259 HydrophobicContact SD-SD 4.45Å; M249-I262 HydrophobicContact SD-CB 4.36Å; M249-I262 HydrophobicContact SD-CG1 4.07Å; M249-I262 HydrophobicContact SD-CG2 3.76Å; M249-C296 HydrophobicContact CE-CB 4.33Å; M249-C296 VanDerWaalsContact CE-O 3.29Å; M249-C296 WeakPolarHBondContact CE-O 3.4Å; M249-L303 HydrophobicContact CE-CD1 4.34Å; M249-L303 HydrophobicContact SD-CD1 4.3Å |
| 250 | R | 97.4 | Very high | 98 | Very high | 77 Ų | 77 | 36.8 Ų | 36.8 | 29% | 0.291 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.3 | -16.4 | -175.7 | -64.6 | -66.1 | -72.1 | -176.7 | -9.5 | 113.6 | V246 Y247 L248 Y295 E298 | V246-R250 HydrophobicContact CG1-CG 4.37Å; V246-R250 VanDerWaalsContact O-CG 3.25Å; V246-R250 WeakPolarHBondContact O-CG 3.41Å; V246-R250 PolarHBondContact O-N 3.26Å; Y247-R250 PolarHBondContact O-N 3.09Å; L248-R250 PolarHBondContact O-N 3.2Å; R250-Y295 HydrophobicContact CB-CE1 3.68Å; R250-Y295 HydrophobicContact CB-CE2 4.26Å; R250-Y295 WeakPolarHBondContact CB-OH 3.48Å; R250-Y295 VanDerWaalsContact CD-O 3.22Å; R250-Y295 WeakPolarHBondContact CD-O 3.34Å; R250-Y295 HydrophobicContact CG-CD1 3.87Å; R250-Y295 HydrophobicContact CG-CD2 4.31Å; R250-Y295 HydrophobicContact CG-CE1 3.53Å; R250-Y295 HydrophobicContact CG-CE2 4Å; R250-Y295 HydrophobicContact CG-CG 4.24Å; R250-Y295 PolarHBondContact NE-O 3.46Å; R250-E298 IonicContact CZ-OE2 3.97Å; R250-E298 PolarHBondContact NH1-O 3.15Å; R250-E298 IonicContact NH2-OE2 2.87Å; R250-E298 PolarHBondContact NH2-OE2 3.09Å |
| 251 | K | 96.9 | Very high | 98 | Very high | 54 Ų | 54 | 39.4 Ų | 39.4 | 24% | 0.235 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 9.2 | 173.4 | -66 | -61 | -174.2 | 171.9 | 0 | 113.7 | R203 Q205 C208 Y247 L248 M249 C253 | R203-K251 WeakPolarHBondContact O-CE 3.47Å; R203-K251 PolarHBondContact O-NZ 2.94Å; Q205-K251 HydrophobicContact CB-CD 4.49Å; Q205-K251 PolarHBondContact NE2-O 3.48Å; Q205-K251 VanDerWaalsContact NE2-O 3.1Å; Q205-K251 PolarHBondContact OE1-O 3.31Å; C208-K251 HydrophobicContact CB-CB 3.75Å; C208-K251 HydrophobicContact CB-CG 4.17Å; Y247-K251 PolarHBondContact O-N 3.11Å; L248-K251 CarbonylContact O-C 3.58Å; L248-K251 PolarHBondContact O-N 2.84Å; M249-K251 PolarHBondContact O-N 3.29Å; M249-K251 VanDerWaalsContact O-N 3.16Å; K251-C253 PolarHBondContact O-N 2.89Å; K251-C253 PolarHBondContact O-SG 3.49Å; K251-C253 VanDerWaalsContact O-SG 3.37Å |
| 252 | G | 97.2 | Very high | 98 | Very high | 67 Ų | 67 | 39.5 Ų | 39.5 | 69% | 0.691 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 26.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L248 M249 | L248-G252 PolarHBondContact O-N 3.38Å; M249-G252 PolarHBondContact O-N 3Å |
| 253 | C | 98 | Very high | 97.9 | Very high | 9 Ų | 9 | 41.1 Ų | 41.1 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | trans | -101.7 | 19.8 | -176.3 | -63.7 | 0 | 0 | 0 | 0 | 113 | Q205 C208 H212 L248 K251 | Q205-C253 PolarHBondContact NE2-SG 3.39Å; C208-C253 VanDerWaalsContact C-SG 3.58Å; C208-C253 HydrophobicContact CB-CB 4.02Å; C208-C253 VanDerWaalsContact CB-SG 3.52Å; H212-C253 HydrophobicContact CB-CB 4.25Å; H212-C253 PolarHBondContact ND1-O 3.33Å; L248-C253 HydrophobicContact CB-CB 4.46Å; L248-C253 HydrophobicContact CD2-CB 3.89Å; L248-C253 PolarHBondContact O-N 3.35Å; K251-C253 PolarHBondContact O-N 2.89Å; K251-C253 PolarHBondContact O-SG 3.49Å; K251-C253 VanDerWaalsContact O-SG 3.37Å | ||
| 254 | L | 98.1 | Very high | 97.7 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -112.7 | 139.1 | 170.4 | -63.1 | -175.4 | 0 | 0 | 0 | 109 | I222 L245 L248 M249 A258 M259 I262 | I222-L254 HydrophobicContact CD1-CD2 3.96Å; I222-L254 HydrophobicContact CG1-CD2 4.38Å; I222-L254 HydrophobicContact CG2-CD2 3.97Å; L245-L254 HydrophobicContact CD2-CD2 4.46Å; L248-L254 HydrophobicContact CB-CD2 3.69Å; L248-L254 HydrophobicContact CB-CG 3.94Å; L248-L254 HydrophobicContact CD1-CD2 4.2Å; M249-L254 HydrophobicContact CB-CD1 3.79Å; L254-A258 HydrophobicContact CB-CB 4.02Å; L254-A258 HydrophobicContact CD2-CB 4.25Å; L254-M259 HydrophobicContact CB-CG 3.94Å; L254-M259 HydrophobicContact CB-SD 3.89Å; L254-M259 HydrophobicContact CD1-SD 4.05Å; L254-I262 HydrophobicContact CD1-CD1 3.74Å; L254-I262 HydrophobicContact CD1-CG1 4.1Å |
| 255 | D | 96.9 | Very high | 97.7 | Very high | 85 Ų | 85 | 46.3 Ų | 46.3 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | trans | -74.2 | 175.1 | 173.5 | 69.9 | 22.4 | 0 | 0 | 0 | 111.8 | A257 A258 M259 | D255-A257 PolarHBondContact O-N 2.9Å; D255-A257 WeakPolarHBondContact OD1-CA 3.43Å; D255-A257 WeakPolarHBondContact OD1-CB 3.49Å; D255-A257 PolarHBondContact OD1-N 3.44Å; D255-A258 PolarHBondContact O-N 3.15Å; D255-A258 WeakPolarHBondContact OD1-CB 3.38Å; D255-A258 PolarHBondContact OD1-N 3.24Å; D255-M259 WeakPolarHBondContact O-CB 3.38Å; D255-M259 VanDerWaalsContact O-CG 3.29Å; D255-M259 WeakPolarHBondContact O-CG 3.48Å; D255-M259 PolarHBondContact O-N 3.25Å | ||
| 256 | S | 96.9 | Very high | 97.6 | Very high | 85 Ų | 85 | 46.3 Ų | 46.3 | 59% | 0.594 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.9 | -31.2 | -179.2 | -170.6 | 0 | 0 | 0 | 0 | 113.3 | K260 | S256-K260 WeakPolarHBondContact O-CG 3.29Å; S256-K260 PolarHBondContact O-N 3.35Å |
| 257 | A | 97.2 | Very high | 97.6 | Very high | 62 Ų | 62 | 46.3 Ų | 46.3 | 51% | 0.512 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -74.2 | -47.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | D255 M259 K260 | D255-A257 PolarHBondContact O-N 2.9Å; D255-A257 WeakPolarHBondContact OD1-CA 3.43Å; D255-A257 WeakPolarHBondContact OD1-CB 3.49Å; D255-A257 PolarHBondContact OD1-N 3.44Å; A257-M259 PolarHBondContact O-N 2.96Å; A257-K260 PolarHBondContact O-N 3.49Å |
| 258 | A | 97.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | I222 F226 L254 D255 K260 R261 I262 | I222-A258 HydrophobicContact CG2-CB 4.35Å; F226-A258 HydrophobicContact CE2-CB 3.85Å; F226-A258 HydrophobicContact CZ-CB 4.2Å; L254-A258 HydrophobicContact CB-CB 4.02Å; L254-A258 HydrophobicContact CD2-CB 4.25Å; D255-A258 PolarHBondContact O-N 3.15Å; D255-A258 WeakPolarHBondContact OD1-CB 3.38Å; D255-A258 PolarHBondContact OD1-N 3.24Å; A258-K260 VanDerWaalsContact C-N 3.28Å; A258-K260 PolarHBondContact O-N 3.34Å; A258-R261 WeakPolarHBondContact O-CB 3.5Å; A258-R261 PolarHBondContact O-N 2.9Å; A258-I262 PolarHBondContact O-N 2.99Å |
| 259 | M | 97.6 | Very high | 97.3 | Very high | 74 Ų | 74 | 49 Ų | 49 | 37% | 0.365 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.1 | -36.9 | 176.7 | -79.7 | -59.1 | -59.2 | 0 | 0 | 112.9 | M249 L254 D255 A257 R261 I262 | M249-M259 HydrophobicContact CB-SD 4.24Å; M249-M259 HydrophobicContact CG-CE 3.78Å; M249-M259 HydrophobicContact CG-SD 3.66Å; M249-M259 HydrophobicContact SD-CE 4.06Å; M249-M259 HydrophobicContact SD-SD 4.45Å; L254-M259 HydrophobicContact CB-CG 3.94Å; L254-M259 HydrophobicContact CB-SD 3.89Å; L254-M259 HydrophobicContact CD1-SD 4.05Å; D255-M259 WeakPolarHBondContact O-CB 3.38Å; D255-M259 VanDerWaalsContact O-CG 3.29Å; D255-M259 WeakPolarHBondContact O-CG 3.48Å; D255-M259 PolarHBondContact O-N 3.25Å; A257-M259 PolarHBondContact O-N 2.96Å; M259-R261 PolarHBondContact O-N 3.42Å; M259-I262 PolarHBondContact O-N 3.4Å |
| 260 | K | 97.3 | Very high | 97.3 | Very high | 154 Ų | 154 | 48 Ų | 48 | 67% | 0.67 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -68.1 | -18.7 | 176.9 | -72.2 | 170.9 | -176.4 | 177 | 0 | 113.6 | S256 A257 A258 P263 | S256-K260 WeakPolarHBondContact O-CG 3.29Å; S256-K260 PolarHBondContact O-N 3.35Å; A257-K260 PolarHBondContact O-N 3.49Å; A258-K260 VanDerWaalsContact C-N 3.28Å; A258-K260 PolarHBondContact O-N 3.34Å; K260-P263 WeakPolarHBondContact O-CD 3.36Å |
| 261 | R | 98.1 | Very high | 97.2 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 21% | 0.211 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -87.6 | -20 | 179.8 | -60.5 | 170.3 | 68.4 | 178.8 | 6.1 | 112.7 | E223 F226 A258 M259 T264 E265 | E223-R261 VanDerWaalsContact CD-NH1 3.34Å; E223-R261 IonicContact OE1-NH1 2.89Å; E223-R261 PolarHBondContact OE1-NH1 2.97Å; E223-R261 VanDerWaalsContact OE1-NH1 3.15Å; E223-R261 IonicContact OE2-CZ 3.34Å; E223-R261 IonicContact OE2-NH1 3.12Å; E223-R261 PolarHBondContact OE2-NH1 2.81Å; F226-R261 HydrophobicContact CD1-CB 4.26Å; F226-R261 HydrophobicContact CE1-CB 3.51Å; F226-R261 HydrophobicContact CZ-CB 3.8Å; A258-R261 WeakPolarHBondContact O-CB 3.5Å; A258-R261 PolarHBondContact O-N 2.9Å; M259-R261 PolarHBondContact O-N 3.42Å; R261-T264 PolarHBondContact O-N 2.89Å; R261-T264 PolarHBondContact O-OG1 3.17Å; R261-E265 WeakPolarHBondContact CG-OE1 3.49Å; R261-E265 IonicContact CZ-OE1 2.74Å; R261-E265 IonicContact CZ-OE2 3.95Å; R261-E265 IonicContact NE-OE1 3.15Å; R261-E265 PolarHBondContact NE-OE1 2.92Å; R261-E265 IonicContact NE-OE2 3.48Å; R261-E265 IonicContact NH2-OE1 3.44Å; R261-E265 PolarHBondContact NH2-OE1 3.3Å; R261-E265 IonicContact NH2-OE2 3.79Å; R261-E265 PolarHBondContact NH2-OE2 3.31Å; R261-E265 WeakPolarHBondContact O-CB 3.45Å; R261-E265 PolarHBondContact O-N 3.36Å |
| 262 | I | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -54.9 | -50 | 178.7 | -61 | -59.7 | 0 | 0 | 0 | 112.7 | F226 L245 M249 L254 A258 M259 T264 V266 V267 L303 | F226-I262 HydrophobicContact CZ-CD1 4.33Å; L245-I262 HydrophobicContact CB-CD1 4.31Å; M249-I262 HydrophobicContact SD-CB 4.36Å; M249-I262 HydrophobicContact SD-CG1 4.07Å; M249-I262 HydrophobicContact SD-CG2 3.76Å; L254-I262 HydrophobicContact CD1-CD1 3.74Å; L254-I262 HydrophobicContact CD1-CG1 4.1Å; A258-I262 PolarHBondContact O-N 2.99Å; M259-I262 PolarHBondContact O-N 3.4Å; I262-T264 VanDerWaalsContact C-N 3.3Å; I262-T264 PolarHBondContact O-N 3.32Å; I262-V266 HydrophobicContact CD1-CB 4.26Å; I262-V266 HydrophobicContact CD1-CG2 3.67Å; I262-V266 HydrophobicContact CG2-CB 4.3Å; I262-V266 WeakPolarHBondContact O-CB 3.3Å; I262-V266 PolarHBondContact O-N 3.42Å; I262-V266 VanDerWaalsContact O-N 3.07Å; I262-V267 PolarHBondContact O-N 2.89Å; I262-L303 HydrophobicContact CG2-CD2 4.42Å |
| 263 | P | 96.9 | Very high | 97 | Very high | 34 Ų | 34 | 44 Ų | 44 | 22% | 0.221 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -70.6 | -25.6 | -176.8 | -8.7 | 23.3 | 0 | 0 | 0 | 113.3 | K260 P268 L303 I306 | K260-P263 WeakPolarHBondContact O-CD 3.36Å; P263-P268 WeakPolarHBondContact O-CD 3.26Å; P263-L303 HydrophobicContact CB-CD2 3.79Å; P263-L303 HydrophobicContact CG-CD2 3.78Å; P263-I306 HydrophobicContact CB-CD1 3.44Å; P263-I306 VanDerWaalsContact CB-CD1 3.44Å; P263-I306 HydrophobicContact CG-CD1 4.48Å |
| 264 | T | 95.8 | Very high | 96.8 | Very high | 98 Ų | 98 | 43.6 Ų | 43.6 | 60% | 0.601 | 23% | 0.232 | S | C | * | . | I | π-helix | trans | -97.5 | -29.1 | -174.8 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | R261 I262 P268 | R261-T264 PolarHBondContact O-N 2.89Å; R261-T264 PolarHBondContact O-OG1 3.17Å; I262-T264 VanDerWaalsContact C-N 3.3Å; I262-T264 PolarHBondContact O-N 3.32Å; T264-P268 WeakPolarHBondContact O-CG 3.42Å |
| 265 | E | 97.6 | Very high | 96.6 | Very high | 65 Ų | 65 | 46.2 Ų | 46.2 | 30% | 0.304 | 25% | 0.246 | S | C | . | . | I | π-helix | trans | -113.3 | -40.3 | -175.5 | -65.8 | 177.8 | -127.5 | 0 | 0 | 112.8 | F226 L229 R261 K269 | F226-E265 HydrophobicContact CD1-CB 4.49Å; L229-E265 HydrophobicContact CD1-CB 4.1Å; R261-E265 WeakPolarHBondContact CG-OE1 3.49Å; R261-E265 IonicContact CZ-OE1 2.74Å; R261-E265 IonicContact CZ-OE2 3.95Å; R261-E265 IonicContact NE-OE1 3.15Å; R261-E265 PolarHBondContact NE-OE1 2.92Å; R261-E265 IonicContact NE-OE2 3.48Å; R261-E265 IonicContact NH2-OE1 3.44Å; R261-E265 PolarHBondContact NH2-OE1 3.3Å; R261-E265 IonicContact NH2-OE2 3.79Å; R261-E265 PolarHBondContact NH2-OE2 3.31Å; R261-E265 WeakPolarHBondContact O-CB 3.45Å; R261-E265 PolarHBondContact O-N 3.36Å; E265-K269 WeakPolarHBondContact O-CB 3.4Å |
| 266 | V | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -86.6 | -52.5 | -173.3 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | F226 L229 A242 L245 V246 I262 K269 L270 | F226-V266 HydrophobicContact CE1-CG2 4.1Å; L229-V266 HydrophobicContact CD1-CG2 3.94Å; A242-V266 HydrophobicContact CB-CG1 4.14Å; L245-V266 HydrophobicContact CB-CG2 4.14Å; L245-V266 HydrophobicContact CD1-CG2 3.75Å; V246-V266 HydrophobicContact CG2-CG1 3.91Å; I262-V266 HydrophobicContact CD1-CB 4.26Å; I262-V266 HydrophobicContact CD1-CG2 3.67Å; I262-V266 HydrophobicContact CG2-CB 4.3Å; I262-V266 WeakPolarHBondContact O-CB 3.3Å; I262-V266 PolarHBondContact O-N 3.42Å; I262-V266 VanDerWaalsContact O-N 3.07Å; V266-K269 WeakPolarHBondContact O-CB 3.44Å; V266-K269 PolarHBondContact O-N 3.27Å; V266-K269 VanDerWaalsContact O-N 3.17Å; V266-L270 HydrophobicContact CG1-CD1 4.13Å; V266-L270 WeakPolarHBondContact O-CG 3.43Å; V266-L270 PolarHBondContact O-N 3.23Å |
| 267 | V | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59 | -49.2 | -179.6 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | I262 K269 L270 I271 L293 L303 I306 A307 | I262-V267 PolarHBondContact O-N 2.89Å; V267-K269 PolarHBondContact O-N 3.28Å; V267-L270 PolarHBondContact O-N 3.42Å; V267-I271 HydrophobicContact CG1-CD1 3.84Å; V267-I271 WeakPolarHBondContact O-CG1 3.47Å; V267-I271 PolarHBondContact O-N 3.12Å; V267-I271 VanDerWaalsContact O-N 3.09Å; V267-L293 HydrophobicContact CG1-CD1 4.03Å; V267-L303 HydrophobicContact CG2-CD2 4.19Å; V267-I306 HydrophobicContact CB-CG2 4.49Å; V267-I306 HydrophobicContact CG1-CG2 3.96Å; V267-A307 HydrophobicContact CG1-CB 4.37Å |
| 268 | P | 95.3 | Very high | 95.5 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 34% | 0.338 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.5 | -30.6 | 178.5 | -24.8 | 38.1 | 0 | 0 | 0 | 112.7 | P263 T264 R272 | P263-P268 WeakPolarHBondContact O-CD 3.26Å; T264-P268 WeakPolarHBondContact O-CG 3.42Å; P268-R272 WeakPolarHBondContact O-CB 3.34Å; P268-R272 PolarHBondContact O-N 2.93Å |
| 269 | K | 96.3 | Very high | 95.1 | Very high | 19 Ų | 19 | 51.6 Ų | 51.6 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.6 | -45.8 | 177.1 | -177.4 | 58.3 | 54 | 156.3 | 0 | 112.1 | L229 Q238 E265 V266 V267 I271 R272 I273 | L229-K269 HydrophobicContact CD2-CG 4.23Å; L229-K269 WeakPolarHBondContact O-CE 3.41Å; L229-K269 PolarHBondContact O-NZ 3.12Å; Q238-K269 HydrophobicContact CB-CD 4.11Å; Q238-K269 HydrophobicContact CB-CG 4.45Å; E265-K269 WeakPolarHBondContact O-CB 3.4Å; V266-K269 WeakPolarHBondContact O-CB 3.44Å; V266-K269 PolarHBondContact O-N 3.27Å; V266-K269 VanDerWaalsContact O-N 3.17Å; V267-K269 PolarHBondContact O-N 3.28Å; K269-I271 VanDerWaalsContact C-N 3.34Å; K269-R272 WeakPolarHBondContact O-CB 3.12Å; K269-R272 PolarHBondContact O-N 3.2Å; K269-I273 HydrophobicContact CD-CD1 4.41Å; K269-I273 HydrophobicContact CG-CD1 4.25Å; K269-I273 WeakPolarHBondContact O-CG1 3.36Å; K269-I273 PolarHBondContact O-N 3.45Å; K269-I273 VanDerWaalsContact O-N 3.08Å |
| 270 | L | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 176 | -68.7 | 171.5 | 0 | 0 | 0 | 110.9 | L239 A242 V246 V266 V267 R272 I273 L274 A289 A292 L293 | L239-L270 HydrophobicContact CD1-CD2 3.93Å; A242-L270 HydrophobicContact CB-CD2 3.74Å; A242-L270 HydrophobicContact CB-CG 4.13Å; V246-L270 HydrophobicContact CG2-CD1 4.24Å; V266-L270 HydrophobicContact CG1-CD1 4.13Å; V266-L270 WeakPolarHBondContact O-CG 3.43Å; V266-L270 PolarHBondContact O-N 3.23Å; V267-L270 PolarHBondContact O-N 3.42Å; L270-R272 VanDerWaalsContact C-N 3.35Å; L270-R272 PolarHBondContact O-N 3.08Å; L270-I273 PolarHBondContact O-N 3.28Å; L270-L274 WeakPolarHBondContact O-CG 3.39Å; L270-L274 PolarHBondContact O-N 3.17Å; L270-A289 HydrophobicContact CD2-CB 4.47Å; L270-A292 HydrophobicContact CD1-CB 4.21Å; L270-A292 HydrophobicContact CD2-CB 3.88Å; L270-L293 HydrophobicContact CB-CB 4.38Å; L270-L293 HydrophobicContact CB-CD1 4.46Å; L270-L293 HydrophobicContact CD1-CB 4.25Å; L270-L293 HydrophobicContact CD1-CD1 4.44Å |
| 271 | I | 96 | Very high | 94.1 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | 177.1 | -61.6 | 167.7 | 0 | 0 | 0 | 111.1 | V267 K269 I273 L274 I275 L293 N310 C313 | V267-I271 HydrophobicContact CG1-CD1 3.84Å; V267-I271 WeakPolarHBondContact O-CG1 3.47Å; V267-I271 PolarHBondContact O-N 3.12Å; V267-I271 VanDerWaalsContact O-N 3.09Å; K269-I271 VanDerWaalsContact C-N 3.34Å; I271-I273 VanDerWaalsContact C-N 3.27Å; I271-I273 PolarHBondContact O-N 3.19Å; I271-L274 WeakPolarHBondContact O-CB 3.26Å; I271-L274 PolarHBondContact O-N 3.31Å; I271-L274 VanDerWaalsContact O-N 3.15Å; I271-I275 PolarHBondContact O-N 2.89Å; I271-L293 HydrophobicContact CG1-CD1 4.46Å; I271-L293 HydrophobicContact CG1-CD2 4.11Å; I271-N310 HydrophobicContact CD1-CB 3.9Å; I271-N310 HydrophobicContact CG2-CB 4.36Å; I271-C313 HydrophobicContact CD1-CB 4.24Å; I271-C313 HydrophobicContact CG1-CB 4.25Å; I271-C313 HydrophobicContact CG2-CB 3.99Å |
| 272 | R | 94.9 | Very high | 93.7 | Very high | 110 Ų | 110 | 52.3 Ų | 52.3 | 42% | 0.415 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.6 | -40 | 175.7 | -178 | 174.8 | 179.2 | 164.6 | 0.1 | 112.2 | P268 K269 L270 L274 I275 L276 | P268-R272 WeakPolarHBondContact O-CB 3.34Å; P268-R272 PolarHBondContact O-N 2.93Å; K269-R272 WeakPolarHBondContact O-CB 3.12Å; K269-R272 PolarHBondContact O-N 3.2Å; L270-R272 VanDerWaalsContact C-N 3.35Å; L270-R272 PolarHBondContact O-N 3.08Å; R272-L274 VanDerWaalsContact C-N 3.35Å; R272-I275 VanDerWaalsContact O-CG1 3.28Å; R272-I275 WeakPolarHBondContact O-CG1 3.19Å; R272-I275 PolarHBondContact O-N 3.42Å; R272-L276 WeakPolarHBondContact O-CG 3.38Å; R272-L276 PolarHBondContact O-N 3.09Å |
| 273 | I | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.6 | -38 | 178.9 | -69.7 | 159.5 | 0 | 0 | 0 | 111.1 | L239 K269 L270 I271 I275 L276 M285 A289 | L239-I273 HydrophobicContact CB-CD1 3.87Å; L239-I273 HydrophobicContact CD1-CD1 4.26Å; K269-I273 HydrophobicContact CD-CD1 4.41Å; K269-I273 HydrophobicContact CG-CD1 4.25Å; K269-I273 WeakPolarHBondContact O-CG1 3.36Å; K269-I273 PolarHBondContact O-N 3.45Å; K269-I273 VanDerWaalsContact O-N 3.08Å; L270-I273 PolarHBondContact O-N 3.28Å; I271-I273 VanDerWaalsContact C-N 3.27Å; I271-I273 PolarHBondContact O-N 3.19Å; I273-I275 VanDerWaalsContact C-N 3.3Å; I273-I275 PolarHBondContact O-N 2.95Å; I273-L276 HydrophobicContact CG2-CD1 4.41Å; I273-L276 WeakPolarHBondContact O-CG 3.31Å; I273-L276 PolarHBondContact O-N 3.41Å; I273-M285 HydrophobicContact CG2-CG 3.67Å; I273-M285 HydrophobicContact CG2-SD 3.87Å; I273-A289 HydrophobicContact CB-CB 4.16Å; I273-A289 HydrophobicContact CG2-CB 3.71Å |
| 274 | L | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 177.5 | -66.3 | 173.2 | 0 | 0 | 0 | 112.2 | L270 I271 R272 K286 A289 C290 L293 V316 M320 | L270-L274 WeakPolarHBondContact O-CG 3.39Å; L270-L274 PolarHBondContact O-N 3.17Å; I271-L274 WeakPolarHBondContact O-CB 3.26Å; I271-L274 PolarHBondContact O-N 3.31Å; I271-L274 VanDerWaalsContact O-N 3.15Å; R272-L274 VanDerWaalsContact C-N 3.35Å; L274-K286 HydrophobicContact CD2-CG 4.46Å; L274-K286 VanDerWaalsContact CD2-O 3.31Å; L274-K286 WeakPolarHBondContact CD2-O 3.31Å; L274-K286 WeakPolarHBondContact O-CE 3.46Å; L274-A289 HydrophobicContact CD2-CB 3.85Å; L274-A289 HydrophobicContact CG-CB 4.18Å; L274-C290 HydrophobicContact CD2-CB 3.83Å; L274-L293 HydrophobicContact CD1-CD2 4.04Å; L274-V316 HydrophobicContact CB-CG1 3.8Å; L274-V316 HydrophobicContact CB-CG2 4.25Å; L274-V316 HydrophobicContact CD1-CG1 4.31Å; L274-V316 WeakPolarHBondContact O-CG2 3.46Å; L274-M320 HydrophobicContact CD2-SD 4.39Å |
| 275 | I | 93.2 | Very high | 92.7 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 8.9 | -175.6 | 67.8 | 171.4 | 0 | 0 | 0 | 114.3 | I271 R272 I273 L312 V316 | I271-I275 PolarHBondContact O-N 2.89Å; R272-I275 VanDerWaalsContact O-CG1 3.28Å; R272-I275 WeakPolarHBondContact O-CG1 3.19Å; R272-I275 PolarHBondContact O-N 3.42Å; I273-I275 VanDerWaalsContact C-N 3.3Å; I273-I275 PolarHBondContact O-N 2.95Å; I275-L312 HydrophobicContact CD1-CD1 3.66Å; I275-L312 HydrophobicContact CG2-CB 4Å; I275-V316 HydrophobicContact CG2-CB 4.14Å; I275-V316 HydrophobicContact CG2-CG1 4.09Å; I275-V316 HydrophobicContact CG2-CG2 4.47Å |
| 276 | L | 93.1 | Very high | 92.5 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 10% | 0.099 | 27% | 0.268 | C | S | . | . | trans | -60.8 | 143.9 | 175.9 | -70.9 | 174 | 0 | 0 | 0 | 111.2 | Y235 R272 I273 W280 M285 | Y235-L276 HydrophobicContact CD1-CD1 3.89Å; Y235-L276 HydrophobicContact CD1-CD2 4.33Å; Y235-L276 HydrophobicContact CD2-CD1 3.68Å; Y235-L276 HydrophobicContact CD2-CD2 4.3Å; Y235-L276 HydrophobicContact CE1-CD1 4.24Å; Y235-L276 HydrophobicContact CE1-CD2 3.82Å; Y235-L276 HydrophobicContact CE2-CD1 4.03Å; Y235-L276 HydrophobicContact CE2-CD2 3.77Å; Y235-L276 HydrophobicContact CG-CD1 3.61Å; R272-L276 WeakPolarHBondContact O-CG 3.38Å; R272-L276 PolarHBondContact O-N 3.09Å; I273-L276 HydrophobicContact CG2-CD1 4.41Å; I273-L276 WeakPolarHBondContact O-CG 3.31Å; I273-L276 PolarHBondContact O-N 3.41Å; L276-W280 HydrophobicContact CB-CB 4.39Å; L276-W280 HydrophobicContact CD1-CB 4.46Å; L276-M285 HydrophobicContact CD1-SD 4.14Å | ||
| 277 | S | 88.7 | Confident | 92.3 | Very high | 64 Ų | 64 | 54.8 Ų | 54.8 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | trans | -58.8 | 148.6 | 170.3 | -53.9 | 0 | 0 | 0 | 0 | 110.6 | E279 W280 | S277-E279 PolarHBondContact O-N 3.33Å; S277-W280 PolarHBondContact O-N 3.32Å | ||
| 278 | P | 85.5 | Confident | 92.3 | Very high | 110 Ų | 110 | 56.1 Ų | 56.1 | 71% | 0.714 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -53.4 | -31.8 | -176.2 | -28.7 | 35.5 | 0 | 0 | 0 | 114.9 | W280 Q281 | P278-W280 VanDerWaalsContact C-N 3.26Å; P278-W280 PolarHBondContact O-N 2.85Å; P278-Q281 PolarHBondContact O-N 3.44Å |
| 279 | E | 88.7 | Confident | 92.4 | Very high | 153 Ų | 153 | 53.7 Ų | 53.7 | 72% | 0.715 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -64.5 | -23.3 | 178.5 | 69 | -155.9 | -155.4 | 0 | 0 | 114.7 | S277 | S277-E279 PolarHBondContact O-N 3.33Š|
| 280 | W | 88.7 | Confident | 92.4 | Very high | 150 Ų | 150 | 52.8 Ų | 52.8 | 57% | 0.568 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -100.9 | 1.8 | 178.1 | -61.4 | 100.8 | 0 | 0 | 0 | 112.8 | Y235 L276 S277 P278 | Y235-W280 HydrophobicContact CD2-CB 4.23Å; Y235-W280 HydrophobicContact CE2-CB 4.06Å; Y235-W280 HydrophobicContact CE2-CD2 4.27Å; Y235-W280 HydrophobicContact CE2-CE3 4.17Å; Y235-W280 HydrophobicContact CE2-CG 4.22Å; L276-W280 HydrophobicContact CB-CB 4.39Å; L276-W280 HydrophobicContact CD1-CB 4.46Å; S277-W280 PolarHBondContact O-N 3.32Å; P278-W280 VanDerWaalsContact C-N 3.26Å; P278-W280 PolarHBondContact O-N 2.85Å |
| 281 | Q | 86.9 | Confident | 92.4 | Very high | 41 Ų | 41 | 54.7 Ų | 54.7 | 19% | 0.192 | 27% | 0.273 | C | S | . | . | trans | -102 | 105.8 | -168.5 | -161.1 | 148.9 | 71.6 | 0 | 0 | 110.1 | P278 K286 | P278-Q281 PolarHBondContact O-N 3.44Å; Q281-K286 VanDerWaalsContact CD-CD 3.45Å; Q281-K286 VanDerWaalsContact CD-CE 3.43Å; Q281-K286 HydrophobicContact CG-CD 4.44Å; Q281-K286 HydrophobicContact CG-CG 4.35Å; Q281-K286 VanDerWaalsContact NE2-CG 3.3Å; Q281-K286 VanDerWaalsContact OE1-CD 3.28Å | ||
| 282 | E | 88.7 | Confident | 92.5 | Very high | 108 Ų | 108 | 54.6 Ų | 54.6 | 51% | 0.505 | 27% | 0.273 | S | S | . | . | trans | -75.8 | 155.3 | 174.1 | -55.4 | 171.6 | -169.5 | 0 | 0 | 110.6 | G284 M285 | E282-G284 PolarHBondContact O-N 3.21Å; E282-M285 HydrophobicContact CB-CB 4.47Å; E282-M285 HydrophobicContact CB-CE 3.83Å; E282-M285 HydrophobicContact CG-CE 3.71Å; E282-M285 WeakPolarHBondContact O-CB 3.14Å; E282-M285 PolarHBondContact O-N 2.88Å | ||
| 283 | K | 86.6 | Confident | 92.7 | Very high | 178 Ų | 178 | 49.4 Ų | 49.4 | 77% | 0.774 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 127 | 179.7 | -174.9 | 173.4 | -175.5 | 177.9 | 0 | 111.2 | M285 E336 | K283-M285 PolarHBondContact O-N 2.98Å; K283-E336 WeakPolarHBondContact CA-OE1 3.42Å |
| 284 | G | 89.6 | Confident | 92.8 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 19% | 0.186 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | -1.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | E282 K286 S288 E336 | E282-G284 PolarHBondContact O-N 3.21Å; G284-K286 VanDerWaalsContact C-N 3.32Å; G284-K286 PolarHBondContact O-N 2.95Å; G284-S288 WeakPolarHBondContact O-CB 3.37Å; G284-S288 PolarHBondContact O-N 3.36Å; G284-E336 PolarHBondContact N-OE1 3.18Å |
| 285 | M | 93.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 178.2 | -173 | -175.6 | -77 | 0 | 0 | 111.7 | L239 I273 L276 E282 K283 S288 A289 | L239-M285 HydrophobicContact CD2-CB 4.48Å; L239-M285 HydrophobicContact CD2-CG 3.7Å; I273-M285 HydrophobicContact CG2-CG 3.67Å; I273-M285 HydrophobicContact CG2-SD 3.87Å; L276-M285 HydrophobicContact CD1-SD 4.14Å; E282-M285 HydrophobicContact CB-CB 4.47Å; E282-M285 HydrophobicContact CB-CE 3.83Å; E282-M285 HydrophobicContact CG-CE 3.71Å; E282-M285 WeakPolarHBondContact O-CB 3.14Å; E282-M285 PolarHBondContact O-N 2.88Å; K283-M285 PolarHBondContact O-N 2.98Å; M285-S288 PolarHBondContact O-N 3.4Å; M285-A289 WeakPolarHBondContact O-CB 3.46Å; M285-A289 PolarHBondContact O-N 3.32Å |
| 286 | K | 93.2 | Very high | 93.2 | Very high | 41 Ų | 41 | 47.8 Ų | 47.8 | 18% | 0.178 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.5 | -58.3 | 176.8 | -101.6 | 174.7 | 167.3 | 155.9 | 0 | 111.9 | L274 Q281 G284 S288 A289 C290 M320 N340 | L274-K286 HydrophobicContact CD2-CG 4.46Å; L274-K286 VanDerWaalsContact CD2-O 3.31Å; L274-K286 WeakPolarHBondContact CD2-O 3.31Å; L274-K286 WeakPolarHBondContact O-CE 3.46Å; Q281-K286 VanDerWaalsContact CD-CD 3.45Å; Q281-K286 VanDerWaalsContact CD-CE 3.43Å; Q281-K286 HydrophobicContact CG-CD 4.44Å; Q281-K286 HydrophobicContact CG-CG 4.35Å; Q281-K286 VanDerWaalsContact NE2-CG 3.3Å; Q281-K286 VanDerWaalsContact OE1-CD 3.28Å; G284-K286 VanDerWaalsContact C-N 3.32Å; G284-K286 PolarHBondContact O-N 2.95Å; K286-S288 VanDerWaalsContact C-N 3.29Å; K286-S288 PolarHBondContact O-N 3.38Å; K286-A289 PolarHBondContact O-N 2.96Å; K286-C290 VanDerWaalsContact O-CB 3.27Å; K286-C290 WeakPolarHBondContact O-CB 3.48Å; K286-C290 PolarHBondContact O-N 3.22Å; K286-M320 HydrophobicContact CB-CE 4.03Å; K286-M320 HydrophobicContact CD-SD 4.31Å; K286-M320 HydrophobicContact CG-SD 4.38Å; K286-N340 VanDerWaalsContact CB-OD1 3.26Å; K286-N340 WeakPolarHBondContact CB-OD1 3.49Å |
| 287 | A | 94.9 | Very high | 93.3 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55 | -45.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | A289 C290 S291 L339 N340 A343 | A287-A289 PolarHBondContact O-N 3.43Å; A287-C290 WeakPolarHBondContact O-CB 2.64Å; A287-C290 PolarHBondContact O-N 3.1Å; A287-C290 VanDerWaalsContact O-N 3.15Å; A287-S291 PolarHBondContact O-N 3.09Å; A287-S291 PolarHBondContact O-OG 2.94Å; A287-L339 HydrophobicContact CB-CD1 4.36Å; A287-L339 HydrophobicContact CB-CD2 3.92Å; A287-L339 HydrophobicContact CB-CG 3.58Å; A287-N340 PolarHBondContact N-OD1 3.49Å; A287-N340 VanDerWaalsContact N-OD1 3.12Å; A287-A343 HydrophobicContact CB-CB 3.92Å |
| 288 | S | 96.5 | Very high | 93.6 | Very high | 28 Ų | 28 | 47.3 Ų | 47.3 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.4 | -36.9 | 179.8 | -179.1 | 0 | 0 | 0 | 0 | 113.3 | R243 G284 M285 K286 C290 A292 | R243-S288 WeakPolarHBondContact CD-OG 3.38Å; R243-S288 PolarHBondContact NH1-OG 3.34Å; G284-S288 WeakPolarHBondContact O-CB 3.37Å; G284-S288 PolarHBondContact O-N 3.36Å; M285-S288 PolarHBondContact O-N 3.4Å; K286-S288 VanDerWaalsContact C-N 3.29Å; K286-S288 PolarHBondContact O-N 3.38Å; S288-C290 VanDerWaalsContact C-N 3.34Å; S288-A292 VanDerWaalsContact O-CB 3.28Å; S288-A292 WeakPolarHBondContact O-CB 3.41Å; S288-A292 PolarHBondContact O-N 3.16Å |
| 289 | A | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.5 | -37.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L239 L270 I273 L274 M285 K286 A287 A292 L293 | L239-A289 HydrophobicContact CD1-CB 3.8Å; L270-A289 HydrophobicContact CD2-CB 4.47Å; I273-A289 HydrophobicContact CB-CB 4.16Å; I273-A289 HydrophobicContact CG2-CB 3.71Å; L274-A289 HydrophobicContact CD2-CB 3.85Å; L274-A289 HydrophobicContact CG-CB 4.18Å; M285-A289 WeakPolarHBondContact O-CB 3.46Å; M285-A289 PolarHBondContact O-N 3.32Å; K286-A289 PolarHBondContact O-N 2.96Å; A287-A289 PolarHBondContact O-N 3.43Å; A289-A292 PolarHBondContact O-N 2.96Å; A289-L293 WeakPolarHBondContact O-CB 3.38Å; A289-L293 PolarHBondContact O-N 3.49Å |
| 290 | C | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.7 | -49.5 | -178.7 | -161.8 | 0 | 0 | 0 | 0 | 111.9 | L274 K286 A287 S288 A292 L293 A294 L317 M320 A343 A347 | L274-C290 HydrophobicContact CD2-CB 3.83Å; K286-C290 VanDerWaalsContact O-CB 3.27Å; K286-C290 WeakPolarHBondContact O-CB 3.48Å; K286-C290 PolarHBondContact O-N 3.22Å; A287-C290 WeakPolarHBondContact O-CB 2.64Å; A287-C290 PolarHBondContact O-N 3.1Å; A287-C290 VanDerWaalsContact O-N 3.15Å; S288-C290 VanDerWaalsContact C-N 3.34Å; C290-A292 VanDerWaalsContact C-N 3.29Å; C290-A292 PolarHBondContact O-N 3.38Å; C290-L293 WeakPolarHBondContact O-CB 3.31Å; C290-L293 PolarHBondContact O-N 3.34Å; C290-L293 VanDerWaalsContact O-N 3.13Å; C290-A294 PolarHBondContact O-N 3.26Å; C290-L317 WeakPolarHBondContact SG-CD2 3.42Å; C290-M320 HydrophobicContact CB-CE 4.19Å; C290-A343 HydrophobicContact CB-CB 3.8Å; C290-A343 PolarHBondContact SG-O 3.09Å; C290-A347 WeakPolarHBondContact SG-CB 3.17Å |
| 291 | S | 97.1 | Very high | 94.3 | Very high | 41 Ų | 41 | 37 Ų | 37 | 29% | 0.287 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.9 | -33.1 | 175 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | A287 A294 Y295 E346 | A287-S291 PolarHBondContact O-N 3.09Å; A287-S291 PolarHBondContact O-OG 2.94Å; S291-A294 PolarHBondContact O-N 2.83Å; S291-Y295 WeakPolarHBondContact O-CB 3.12Å; S291-Y295 PolarHBondContact O-N 3.16Å; S291-E346 WeakPolarHBondContact CB-OE2 3.4Å; S291-E346 PolarHBondContact OG-OE2 3.24Å |
| 292 | A | 98.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.2 | -40.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R243 L270 S288 A289 C290 C296 | R243-A292 HydrophobicContact CG-CB 3.81Å; L270-A292 HydrophobicContact CD1-CB 4.21Å; L270-A292 HydrophobicContact CD2-CB 3.88Å; S288-A292 VanDerWaalsContact O-CB 3.28Å; S288-A292 WeakPolarHBondContact O-CB 3.41Å; S288-A292 PolarHBondContact O-N 3.16Å; A289-A292 PolarHBondContact O-N 2.96Å; C290-A292 VanDerWaalsContact C-N 3.29Å; C290-A292 PolarHBondContact O-N 3.38Å; A292-C296 VanDerWaalsContact O-CB 3.29Å; A292-C296 WeakPolarHBondContact O-CB 3.29Å; A292-C296 PolarHBondContact O-N 3.06Å |
| 293 | L | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.7 | -46 | 174.4 | -178.9 | 64.9 | 0 | 0 | 0 | 110.8 | V267 L270 I271 L274 A289 C290 Y295 C296 I297 A307 | V267-L293 HydrophobicContact CG1-CD1 4.03Å; L270-L293 HydrophobicContact CB-CB 4.38Å; L270-L293 HydrophobicContact CB-CD1 4.46Å; L270-L293 HydrophobicContact CD1-CB 4.25Å; L270-L293 HydrophobicContact CD1-CD1 4.44Å; I271-L293 HydrophobicContact CG1-CD1 4.46Å; I271-L293 HydrophobicContact CG1-CD2 4.11Å; L274-L293 HydrophobicContact CD1-CD2 4.04Å; A289-L293 WeakPolarHBondContact O-CB 3.38Å; A289-L293 PolarHBondContact O-N 3.49Å; C290-L293 WeakPolarHBondContact O-CB 3.31Å; C290-L293 PolarHBondContact O-N 3.34Å; C290-L293 VanDerWaalsContact O-N 3.13Å; L293-Y295 PolarHBondContact O-N 3.38Å; L293-C296 WeakPolarHBondContact O-CB 3.46Å; L293-C296 PolarHBondContact O-N 3.03Å; L293-C296 VanDerWaalsContact O-N 3.11Å; L293-I297 HydrophobicContact CD1-CG2 3.97Å; L293-I297 WeakPolarHBondContact O-CG1 3.28Å; L293-I297 PolarHBondContact O-N 2.83Å; L293-A307 HydrophobicContact CD1-CB 4.32Å |
| 294 | A | 97.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -53.9 | -52.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | C290 S291 C296 I297 E298 E346 A347 A350 | C290-A294 PolarHBondContact O-N 3.26Å; S291-A294 PolarHBondContact O-N 2.83Å; A294-C296 VanDerWaalsContact C-N 3.25Å; A294-C296 PolarHBondContact O-N 3.05Å; A294-I297 PolarHBondContact O-N 2.85Å; A294-E298 WeakPolarHBondContact O-CB 3.46Å; A294-E298 PolarHBondContact O-N 2.86Å; A294-E346 HydrophobicContact CB-CB 4.02Å; A294-A347 HydrophobicContact CB-CB 4.12Å; A294-A350 HydrophobicContact CB-CB 4.36Å |
| 295 | Y | 97.7 | Very high | 95.5 | Very high | 32 Ų | 32 | 27.6 Ų | 27.6 | 13% | 0.125 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.1 | -25.5 | 179.9 | -168.9 | -134.3 | 0 | 0 | 0 | 113.4 | V246 Y247 R250 S291 L293 | V246-Y295 HydrophobicContact CG1-CD1 3.74Å; V246-Y295 HydrophobicContact CG1-CG 4.33Å; Y247-Y295 AromaticContact CD1-CD1 3.62Å; Y247-Y295 HydrophobicContact CD1-CD1 3.62Å; Y247-Y295 AromaticContact CD1-CE1 3.65Å; Y247-Y295 HydrophobicContact CD1-CE1 3.65Å; Y247-Y295 AromaticContact CE1-CD1 3.79Å; Y247-Y295 HydrophobicContact CE1-CD1 3.79Å; Y247-Y295 HydrophobicContact CE1-CE1 4.18Å; R250-Y295 HydrophobicContact CB-CE1 3.68Å; R250-Y295 HydrophobicContact CB-CE2 4.26Å; R250-Y295 WeakPolarHBondContact CB-OH 3.48Å; R250-Y295 VanDerWaalsContact CD-O 3.22Å; R250-Y295 WeakPolarHBondContact CD-O 3.34Å; R250-Y295 HydrophobicContact CG-CD1 3.87Å; R250-Y295 HydrophobicContact CG-CD2 4.31Å; R250-Y295 HydrophobicContact CG-CE1 3.53Å; R250-Y295 HydrophobicContact CG-CE2 4Å; R250-Y295 HydrophobicContact CG-CG 4.24Å; R250-Y295 PolarHBondContact NE-O 3.46Å; S291-Y295 WeakPolarHBondContact O-CB 3.12Å; S291-Y295 PolarHBondContact O-N 3.16Å; L293-Y295 PolarHBondContact O-N 3.38Å |
| 296 | C | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.8 | -48.6 | 175 | -171.5 | 0 | 0 | 0 | 0 | 111.8 | V246 M249 A292 L293 A294 L303 | V246-C296 HydrophobicContact CG1-CB 3.93Å; V246-C296 HydrophobicContact CG2-CB 3.76Å; M249-C296 HydrophobicContact CE-CB 4.33Å; M249-C296 VanDerWaalsContact CE-O 3.29Å; M249-C296 WeakPolarHBondContact CE-O 3.4Å; A292-C296 VanDerWaalsContact O-CB 3.29Å; A292-C296 WeakPolarHBondContact O-CB 3.29Å; A292-C296 PolarHBondContact O-N 3.06Å; L293-C296 WeakPolarHBondContact O-CB 3.46Å; L293-C296 PolarHBondContact O-N 3.03Å; L293-C296 VanDerWaalsContact O-N 3.11Å; A294-C296 VanDerWaalsContact C-N 3.25Å; A294-C296 PolarHBondContact O-N 3.05Å; C296-L303 WeakPolarHBondContact O-CD1 3.43Å |
| 297 | I | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -88.5 | -11 | -172.8 | 73.9 | -177.3 | 0 | 0 | 0 | 113.6 | L293 A294 N299 D300 L303 Q304 A307 A350 M351 | L293-I297 HydrophobicContact CD1-CG2 3.97Å; L293-I297 WeakPolarHBondContact O-CG1 3.28Å; L293-I297 PolarHBondContact O-N 2.83Å; A294-I297 PolarHBondContact O-N 2.85Å; I297-N299 PolarHBondContact O-N 3.25Å; I297-D300 PolarHBondContact O-N 3.18Å; I297-D300 VanDerWaalsContact O-N 3.1Å; I297-L303 HydrophobicContact CB-CB 4.18Å; I297-L303 HydrophobicContact CG2-CB 3.96Å; I297-Q304 HydrophobicContact CB-CG 4.06Å; I297-Q304 HydrophobicContact CD1-CG 4.48Å; I297-Q304 HydrophobicContact CG1-CG 4.26Å; I297-Q304 WeakPolarHBondContact O-CG 3.39Å; I297-Q304 PolarHBondContact O-NE2 3.2Å; I297-A307 HydrophobicContact CD1-CB 4.19Å; I297-A307 HydrophobicContact CG2-CB 4.07Å; I297-A350 HydrophobicContact CD1-CB 4.15Å; I297-A350 HydrophobicContact CG1-CB 3.73Å; I297-M351 HydrophobicContact CD1-CB 4.04Å |
| 298 | E | 93.7 | Very high | 95.3 | Very high | 73 Ų | 73 | 28.3 Ų | 28.3 | 34% | 0.341 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 124.3 | -179.6 | -175.7 | -173.5 | -153.1 | 0 | 0 | 111.6 | R250 A294 D300 A350 | R250-E298 IonicContact CZ-OE2 3.97Å; R250-E298 PolarHBondContact NH1-O 3.15Å; R250-E298 IonicContact NH2-OE2 2.87Å; R250-E298 PolarHBondContact NH2-OE2 3.09Å; A294-E298 WeakPolarHBondContact O-CB 3.46Å; A294-E298 PolarHBondContact O-N 2.86Å; E298-D300 PolarHBondContact O-N 3.28Å; E298-A350 HydrophobicContact CB-CB 4.42Å |
| 299 | N | 91.4 | Very high | 94.9 | Very high | 94 Ų | 94 | 34.7 Ų | 34.7 | 50% | 0.503 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 18.9 | -178.6 | -48.3 | -36.2 | 0 | 0 | 0 | 115.4 | I297 F354 | I297-N299 PolarHBondContact O-N 3.25Å; N299-F354 HydrophobicContact CB-CE2 4.11Å; N299-F354 HydrophobicContact CB-CZ 4.06Å; N299-F354 WeakPolarHBondContact OD1-CE2 3.29Å; N299-F354 WeakPolarHBondContact OD1-CZ 3.45Å |
| 300 | D | 94.5 | Very high | 94.5 | Very high | 51 Ų | 51 | 37.3 Ų | 37.3 | 27% | 0.273 | 19% | 0.191 | S | C | . | . | trans | -124 | 101.7 | 174.4 | -170.6 | -45.1 | 0 | 0 | 0 | 111.7 | I297 E298 N302 L303 Q304 | I297-D300 PolarHBondContact O-N 3.18Å; I297-D300 VanDerWaalsContact O-N 3.1Å; E298-D300 PolarHBondContact O-N 3.28Å; D300-N302 PolarHBondContact O-N 2.84Å; D300-N302 WeakPolarHBondContact OD1-CA 3.27Å; D300-N302 WeakPolarHBondContact OD1-CB 3.37Å; D300-N302 PolarHBondContact OD1-N 3.28Å; D300-L303 HydrophobicContact CB-CB 4.03Å; D300-L303 HydrophobicContact CB-CD1 4.01Å; D300-L303 HydrophobicContact CB-CG 4.12Å; D300-L303 PolarHBondContact O-N 3.32Å; D300-L303 PolarHBondContact OD1-N 3.07Å; D300-Q304 WeakPolarHBondContact O-CB 3.02Å; D300-Q304 WeakPolarHBondContact O-CG 3.46Å; D300-Q304 PolarHBondContact O-N 3.44Å; D300-Q304 PolarHBondContact O-NE2 3.5Å | ||
| 301 | P | 93 | Very high | 93.8 | Very high | 51 Ų | 51 | 42.1 Ų | 42.1 | 33% | 0.331 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.9 | -27.6 | -178.9 | -23.8 | 33.4 | 0 | 0 | 0 | 114.6 | C305 F354 R355 | P301-C305 WeakPolarHBondContact O-CB 3.41Å; P301-C305 PolarHBondContact O-N 3.29Å; P301-C305 VanDerWaalsContact O-N 3.14Å; P301-F354 HydrophobicContact CG-CB 4Å; P301-R355 HydrophobicContact CB-CG 4.09Å |
| 302 | N | 94 | Very high | 93.3 | Very high | 119 Ų | 119 | 44 Ų | 44 | 64% | 0.636 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -76 | -46.5 | 179.8 | -68.6 | -34.9 | 0 | 0 | 0 | 110.2 | D300 Q304 C305 I306 | D300-N302 PolarHBondContact O-N 2.84Å; D300-N302 WeakPolarHBondContact OD1-CA 3.27Å; D300-N302 WeakPolarHBondContact OD1-CB 3.37Å; D300-N302 PolarHBondContact OD1-N 3.28Å; N302-Q304 VanDerWaalsContact C-N 3.34Å; N302-Q304 PolarHBondContact O-N 2.94Å; N302-C305 WeakPolarHBondContact O-CB 2.9Å; N302-C305 PolarHBondContact O-N 3.43Å; N302-I306 WeakPolarHBondContact O-CG1 3.48Å; N302-I306 PolarHBondContact O-N 3.32Å |
| 303 | L | 95.3 | Very high | 93 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.7 | -37 | 176.1 | -65.7 | 179.7 | 0 | 0 | 0 | 112 | M249 I262 P263 V267 C296 I297 D300 C305 I306 A307 | M249-L303 HydrophobicContact CE-CD1 4.34Å; M249-L303 HydrophobicContact SD-CD1 4.3Å; I262-L303 HydrophobicContact CG2-CD2 4.42Å; P263-L303 HydrophobicContact CB-CD2 3.79Å; P263-L303 HydrophobicContact CG-CD2 3.78Å; V267-L303 HydrophobicContact CG2-CD2 4.19Å; C296-L303 WeakPolarHBondContact O-CD1 3.43Å; I297-L303 HydrophobicContact CB-CB 4.18Å; I297-L303 HydrophobicContact CG2-CB 3.96Å; D300-L303 HydrophobicContact CB-CB 4.03Å; D300-L303 HydrophobicContact CB-CD1 4.01Å; D300-L303 HydrophobicContact CB-CG 4.12Å; D300-L303 PolarHBondContact O-N 3.32Å; D300-L303 PolarHBondContact OD1-N 3.07Å; L303-C305 VanDerWaalsContact C-N 3.31Å; L303-C305 PolarHBondContact O-N 2.81Å; L303-I306 PolarHBondContact O-N 3.47Å; L303-A307 PolarHBondContact O-N 3.4Å |
| 304 | Q | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.7 | -43.9 | 171.9 | -71.8 | 160.9 | 18.1 | 0 | 0 | 111.6 | I297 D300 N302 I306 A307 H308 A350 I358 | I297-Q304 HydrophobicContact CB-CG 4.06Å; I297-Q304 HydrophobicContact CD1-CG 4.48Å; I297-Q304 HydrophobicContact CG1-CG 4.26Å; I297-Q304 WeakPolarHBondContact O-CG 3.39Å; I297-Q304 PolarHBondContact O-NE2 3.2Å; D300-Q304 WeakPolarHBondContact O-CB 3.02Å; D300-Q304 WeakPolarHBondContact O-CG 3.46Å; D300-Q304 PolarHBondContact O-N 3.44Å; D300-Q304 PolarHBondContact O-NE2 3.5Å; N302-Q304 VanDerWaalsContact C-N 3.34Å; N302-Q304 PolarHBondContact O-N 2.94Å; Q304-I306 PolarHBondContact O-N 3.22Å; Q304-A307 PolarHBondContact O-N 3.17Å; Q304-H308 WeakPolarHBondContact O-CB 3.32Å; Q304-H308 PolarHBondContact O-N 2.96Å; Q304-A350 VanDerWaalsContact CD-O 3.31Å; Q304-A350 WeakPolarHBondContact CG-O 3.26Å; Q304-A350 PolarHBondContact NE2-O 3.45Å; Q304-I358 HydrophobicContact CB-CD1 4.21Å |
| 305 | C | 92.7 | Very high | 92.3 | Very high | 20 Ų | 20 | 49 Ų | 49 | 14% | 0.135 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 175.8 | -166.3 | 0 | 0 | 0 | 0 | 111.5 | P301 N302 L303 H308 W309 R355 I358 | P301-C305 WeakPolarHBondContact O-CB 3.41Å; P301-C305 PolarHBondContact O-N 3.29Å; P301-C305 VanDerWaalsContact O-N 3.14Å; N302-C305 WeakPolarHBondContact O-CB 2.9Å; N302-C305 PolarHBondContact O-N 3.43Å; L303-C305 VanDerWaalsContact C-N 3.31Å; L303-C305 PolarHBondContact O-N 2.81Å; C305-H308 PolarHBondContact O-N 2.97Å; C305-W309 WeakPolarHBondContact O-CB 3.35Å; C305-W309 PolarHBondContact O-N 3.23Å; C305-W309 VanDerWaalsContact SG-CD1 3.51Å; C305-W309 PolarHBondContact SG-NE1 2.95Å; C305-R355 PolarHBondContact SG-NH1 3.12Å; C305-R355 PolarHBondContact SG-NH2 2.83Å; C305-R355 VanDerWaalsContact SG-NH2 3.41Å; C305-I358 HydrophobicContact CB-CD1 3.92Å |
| 306 | I | 93.2 | Very high | 92.1 | Very high | 66 Ų | 66 | 48.2 Ų | 48.2 | 34% | 0.338 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.5 | -42.2 | -179.6 | -68.5 | 168.2 | 0 | 0 | 0 | 111.2 | P263 V267 N302 L303 Q304 | P263-I306 HydrophobicContact CB-CD1 3.44Å; P263-I306 VanDerWaalsContact CB-CD1 3.44Å; P263-I306 HydrophobicContact CG-CD1 4.48Å; V267-I306 HydrophobicContact CB-CG2 4.49Å; V267-I306 HydrophobicContact CG1-CG2 3.96Å; N302-I306 WeakPolarHBondContact O-CG1 3.48Å; N302-I306 PolarHBondContact O-N 3.32Å; L303-I306 PolarHBondContact O-N 3.47Å; Q304-I306 PolarHBondContact O-N 3.22Å |
| 307 | A | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V267 L293 I297 L303 Q304 C313 M351 | V267-A307 HydrophobicContact CG1-CB 4.37Å; L293-A307 HydrophobicContact CD1-CB 4.32Å; I297-A307 HydrophobicContact CD1-CB 4.19Å; I297-A307 HydrophobicContact CG2-CB 4.07Å; L303-A307 PolarHBondContact O-N 3.4Å; Q304-A307 PolarHBondContact O-N 3.17Å; A307-C313 WeakPolarHBondContact O-CB 3.4Å; A307-M351 HydrophobicContact CB-CE 4.24Å |
| 308 | H | 91 | Very high | 91.7 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 179.8 | 174.8 | 60.5 | 0 | 0 | 0 | 113.3 | Q304 C305 N310 M351 I358 R361 D365 | Q304-H308 WeakPolarHBondContact O-CB 3.32Å; Q304-H308 PolarHBondContact O-N 2.96Å; C305-H308 PolarHBondContact O-N 2.97Å; H308-N310 CarbonylContact O-C 3.39Å; H308-N310 VanDerWaalsContact O-C 3.32Å; H308-N310 PolarHBondContact O-N 3.19Å; H308-N310 VanDerWaalsContact O-N 3.11Å; H308-M351 HydrophobicContact CB-CG 4.29Å; H308-M351 HydrophobicContact CB-SD 3.91Å; H308-I358 HydrophobicContact CB-CG2 3.88Å; H308-R361 WeakPolarHBondContact CE1-CB 3.49Å; H308-R361 WeakPolarHBondContact NE2-CB 3.49Å; H308-R361 WeakPolarHBondContact NE2-CD 3.42Å; H308-D365 IonicContact CE1-OD2 3.53Å; H308-D365 PolarHBondContact CE1-OD2 3.46Å |
| 309 | W | 89.1 | Confident | 91.6 | Very high | 162 Ų | 162 | 49.8 Ų | 49.8 | 61% | 0.614 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -66.2 | -14.7 | -177.6 | -81.9 | 50.7 | 0 | 0 | 0 | 113.5 | C305 N311 | C305-W309 WeakPolarHBondContact O-CB 3.35Å; C305-W309 PolarHBondContact O-N 3.23Å; C305-W309 VanDerWaalsContact SG-CD1 3.51Å; C305-W309 PolarHBondContact SG-NE1 2.95Å; W309-N311 VanDerWaalsContact C-N 3.35Å; W309-N311 PolarHBondContact O-N 2.91Å |
| 310 | N | 87.8 | Confident | 91.6 | Very high | 55 Ų | 55 | 46 Ų | 46 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -77.9 | 90.5 | 158.1 | -167.1 | -41.8 | 0 | 0 | 0 | 108.5 | I271 H308 L312 C313 P314 | I271-N310 HydrophobicContact CD1-CB 3.9Å; I271-N310 HydrophobicContact CG2-CB 4.36Å; H308-N310 CarbonylContact O-C 3.39Å; H308-N310 VanDerWaalsContact O-C 3.32Å; H308-N310 PolarHBondContact O-N 3.19Å; H308-N310 VanDerWaalsContact O-N 3.11Å; N310-L312 PolarHBondContact O-N 3.29Å; N310-L312 WeakPolarHBondContact OD1-CB 3.46Å; N310-L312 PolarHBondContact OD1-N 3.04Å; N310-C313 VanDerWaalsContact O-CB 3.31Å; N310-C313 WeakPolarHBondContact O-CB 3.4Å; N310-C313 PolarHBondContact O-N 3.45Å; N310-P314 WeakPolarHBondContact O-CD 3.4Å |
| 311 | N | 82.2 | Confident | 91.3 | Very high | 100 Ų | 100 | 44.6 Ų | 44.6 | 54% | 0.535 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -19.9 | -175.7 | -62.8 | -14.3 | 0 | 0 | 0 | 114.3 | W309 C313 Q315 | W309-N311 VanDerWaalsContact C-N 3.35Å; W309-N311 PolarHBondContact O-N 2.91Å; N311-C313 VanDerWaalsContact C-N 3.3Å; N311-Q315 WeakPolarHBondContact O-CG 3.43Å |
| 312 | L | 87.1 | Confident | 90.8 | Very high | 80 Ų | 80 | 44.1 Ų | 44.1 | 42% | 0.419 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -72.9 | -23.4 | 175.4 | -57.1 | 174 | 0 | 0 | 0 | 112.6 | I275 N310 V316 | I275-L312 HydrophobicContact CD1-CD1 3.66Å; I275-L312 HydrophobicContact CG2-CB 4Å; N310-L312 PolarHBondContact O-N 3.29Å; N310-L312 WeakPolarHBondContact OD1-CB 3.46Å; N310-L312 PolarHBondContact OD1-N 3.04Å; L312-V316 WeakPolarHBondContact O-CG1 3.41Å; L312-V316 PolarHBondContact O-N 3.31Å |
| 313 | C | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.5 | -55 | -178.8 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | I271 A307 N310 N311 Q315 V316 L317 | I271-C313 HydrophobicContact CD1-CB 4.24Å; I271-C313 HydrophobicContact CG1-CB 4.25Å; I271-C313 HydrophobicContact CG2-CB 3.99Å; A307-C313 WeakPolarHBondContact O-CB 3.4Å; N310-C313 VanDerWaalsContact O-CB 3.31Å; N310-C313 WeakPolarHBondContact O-CB 3.4Å; N310-C313 PolarHBondContact O-N 3.45Å; N311-C313 VanDerWaalsContact C-N 3.3Å; C313-Q315 VanDerWaalsContact C-N 3.26Å; C313-Q315 PolarHBondContact O-N 3.09Å; C313-V316 VanDerWaalsContact O-CG1 3.27Å; C313-V316 WeakPolarHBondContact O-CG1 3.42Å; C313-V316 PolarHBondContact O-N 2.92Å; C313-L317 VanDerWaalsContact O-CG 3.23Å; C313-L317 WeakPolarHBondContact O-CG 3.22Å; C313-L317 PolarHBondContact O-N 3.16Å |
| 314 | P | 90.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.5 | -39.3 | 173.8 | -25.8 | 34.9 | 0 | 0 | 0 | 113.3 | N310 L317 G318 M351 D365 I366 | N310-P314 WeakPolarHBondContact O-CD 3.4Å; P314-L317 PolarHBondContact O-N 3.27Å; P314-G318 PolarHBondContact O-N 3.13Å; P314-M351 HydrophobicContact CG-SD 4.39Å; P314-D365 HydrophobicContact CB-CB 3.74Å; P314-I366 HydrophobicContact CB-CD1 4.47Å; P314-I366 HydrophobicContact CB-CG1 4.42Å; P314-I366 WeakPolarHBondContact O-CD1 3.49Å; P314-I366 WeakPolarHBondContact O-CG1 3.43Å |
| 315 | Q | 90.6 | Very high | 87.3 | Confident | 115 Ų | 115 | 50.4 Ų | 50.4 | 54% | 0.537 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 179.4 | -67.8 | 175.3 | 13.6 | 0 | 0 | 112.5 | N311 C313 G318 S319 | N311-Q315 WeakPolarHBondContact O-CG 3.43Å; C313-Q315 VanDerWaalsContact C-N 3.26Å; C313-Q315 PolarHBondContact O-N 3.09Å; Q315-G318 PolarHBondContact O-N 3.19Å; Q315-S319 PolarHBondContact O-N 3.26Å |
| 316 | V | 93 | Very high | 85.7 | Confident | 14 Ų | 14 | 53.8 Ų | 53.8 | 9% | 0.085 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.5 | -37.4 | 179.1 | 71.5 | 0 | 0 | 0 | 0 | 111.7 | L274 I275 L312 C313 G318 S319 M320 | L274-V316 HydrophobicContact CB-CG1 3.8Å; L274-V316 HydrophobicContact CB-CG2 4.25Å; L274-V316 HydrophobicContact CD1-CG1 4.31Å; L274-V316 WeakPolarHBondContact O-CG2 3.46Å; I275-V316 HydrophobicContact CG2-CB 4.14Å; I275-V316 HydrophobicContact CG2-CG1 4.09Å; I275-V316 HydrophobicContact CG2-CG2 4.47Å; L312-V316 WeakPolarHBondContact O-CG1 3.41Å; L312-V316 PolarHBondContact O-N 3.31Å; C313-V316 VanDerWaalsContact O-CG1 3.27Å; C313-V316 WeakPolarHBondContact O-CG1 3.42Å; C313-V316 PolarHBondContact O-N 2.92Å; V316-G318 PolarHBondContact O-N 3.16Å; V316-S319 PolarHBondContact O-N 3.48Å; V316-S319 PolarHBondContact O-OG 3.14Å; V316-M320 HydrophobicContact CG2-SD 4.43Å; V316-M320 VanDerWaalsContact O-CG 3.32Å; V316-M320 WeakPolarHBondContact O-CG 3.5Å; V316-M320 PolarHBondContact O-N 2.83Å; V316-M320 VanDerWaalsContact O-N 3.16Å |
| 317 | L | 94.6 | Very high | 84 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 173.4 | -65.5 | 176.8 | 0 | 0 | 0 | 111.1 | C290 C313 P314 S319 M320 A344 A347 I348 M351 I366 | C290-L317 WeakPolarHBondContact SG-CD2 3.42Å; C313-L317 VanDerWaalsContact O-CG 3.23Å; C313-L317 WeakPolarHBondContact O-CG 3.22Å; C313-L317 PolarHBondContact O-N 3.16Å; P314-L317 PolarHBondContact O-N 3.27Å; L317-S319 VanDerWaalsContact C-N 3.33Å; L317-S319 PolarHBondContact O-N 2.9Å; L317-M320 WeakPolarHBondContact O-CB 3.01Å; L317-M320 PolarHBondContact O-N 3.42Å; L317-M320 VanDerWaalsContact O-N 3.13Å; L317-A344 HydrophobicContact CD2-CB 4.27Å; L317-A347 HydrophobicContact CD1-CB 4.09Å; L317-A347 HydrophobicContact CD2-CB 3.85Å; L317-I348 HydrophobicContact CB-CD1 4.28Å; L317-I348 HydrophobicContact CB-CG1 4.2Å; L317-I348 HydrophobicContact CD1-CG1 4.02Å; L317-M351 HydrophobicContact CD1-CE 3.72Å; L317-I366 HydrophobicContact CB-CD1 4.15Å |
| 318 | G | 92 | Very high | 82.4 | Confident | 19 Ų | 19 | 63.7 Ų | 63.7 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P314 Q315 V316 M320 M321 | P314-G318 PolarHBondContact O-N 3.13Å; Q315-G318 PolarHBondContact O-N 3.19Å; V316-G318 PolarHBondContact O-N 3.16Å; G318-M320 PolarHBondContact O-N 3.31Å; G318-M321 WeakPolarHBondContact O-CB 3.31Å; G318-M321 PolarHBondContact O-N 3.41Å; G318-M321 VanDerWaalsContact O-N 3.16Å |
| 319 | S | 90.7 | Very high | 80.7 | Confident | 87 Ų | 87 | 67.4 Ų | 67.4 | 61% | 0.608 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -67.6 | -18.5 | 176.9 | 77 | 0 | 0 | 0 | 0 | 114.6 | Q315 V316 L317 M321 | Q315-S319 PolarHBondContact O-N 3.26Å; V316-S319 PolarHBondContact O-N 3.48Å; V316-S319 PolarHBondContact O-OG 3.14Å; L317-S319 VanDerWaalsContact C-N 3.33Å; L317-S319 PolarHBondContact O-N 2.9Å; S319-M321 VanDerWaalsContact C-N 3.31Å |
| 320 | M | 91.8 | Very high | 79.1 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 7% | 0.069 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -7.4 | 177.1 | -70.9 | 170.1 | 62.6 | 0 | 0 | 112.1 | L274 K286 C290 V316 L317 G318 N340 F341 A344 | L274-M320 HydrophobicContact CD2-SD 4.39Å; K286-M320 HydrophobicContact CB-CE 4.03Å; K286-M320 HydrophobicContact CD-SD 4.31Å; K286-M320 HydrophobicContact CG-SD 4.38Å; C290-M320 HydrophobicContact CB-CE 4.19Å; V316-M320 HydrophobicContact CG2-SD 4.43Å; V316-M320 VanDerWaalsContact O-CG 3.32Å; V316-M320 WeakPolarHBondContact O-CG 3.5Å; V316-M320 PolarHBondContact O-N 2.83Å; V316-M320 VanDerWaalsContact O-N 3.16Å; L317-M320 WeakPolarHBondContact O-CB 3.01Å; L317-M320 PolarHBondContact O-N 3.42Å; L317-M320 VanDerWaalsContact O-N 3.13Å; G318-M320 PolarHBondContact O-N 3.31Å; M320-N340 HydrophobicContact CB-CB 4.44Å; M320-N340 HydrophobicContact CE-CB 3.74Å; M320-N340 VanDerWaalsContact CE-O 3.29Å; M320-N340 WeakPolarHBondContact CE-O 3.23Å; M320-F341 WeakPolarHBondContact O-CA 3.36Å; M320-A344 HydrophobicContact CB-CB 3.83Å; M320-A344 HydrophobicContact CE-CB 4.4Å |
| 321 | M | 87.9 | Confident | 78 | Confident | 21 Ų | 21 | 65.8 Ų | 65.8 | 10% | 0.103 | 38% | 0.378 | C | S | . | . | trans | -81.2 | 144 | -179.7 | -62.9 | 177.9 | 62.2 | 0 | 0 | 111.9 | G318 S319 F341 L345 I348 I366 L369 C372 | G318-M321 WeakPolarHBondContact O-CB 3.31Å; G318-M321 PolarHBondContact O-N 3.41Å; G318-M321 VanDerWaalsContact O-N 3.16Å; S319-M321 VanDerWaalsContact C-N 3.31Å; M321-F341 HydrophobicContact CB-CD2 3.97Å; M321-F341 HydrophobicContact CB-CE2 3.81Å; M321-F341 HydrophobicContact CE-CE2 3.97Å; M321-F341 HydrophobicContact CG-CD2 3.9Å; M321-F341 HydrophobicContact CG-CE2 3.76Å; M321-L345 HydrophobicContact CE-CD2 4.47Å; M321-I348 HydrophobicContact SD-CD1 3.95Å; M321-I366 HydrophobicContact SD-CG2 3.48Å; M321-I366 WeakPolarHBondContact SD-CG2 3.38Å; M321-L369 HydrophobicContact CE-CB 4.44Å; M321-L369 HydrophobicContact CE-CD1 3.72Å; M321-L369 HydrophobicContact SD-CD1 4.32Å; M321-C372 HydrophobicContact CE-CB 3.24Å; M321-C372 WeakPolarHBondContact CE-SG 3.26Å | ||
| 322 | L | 82.2 | Confident | 76.8 | Confident | 42 Ų | 42 | 67.1 Ų | 67.1 | 22% | 0.22 | 39% | 0.392 | C | S | . | . | trans | -90.2 | 141.8 | 175.1 | -67.4 | 178 | 0 | 0 | 0 | 111.2 | C324 L334 M337 E338 F341 C372 | L322-C324 PolarHBondContact O-N 3.44Å; L322-C324 PolarHBondContact O-SG 2.91Å; L322-L334 HydrophobicContact CD1-CD1 4.47Å; L322-M337 HydrophobicContact CD1-CB 4.43Å; L322-M337 HydrophobicContact CD2-CB 3.94Å; L322-M337 HydrophobicContact CD2-SD 4.36Å; L322-E338 HydrophobicContact CD1-CG 4.23Å; L322-F341 HydrophobicContact CB-CD1 3.67Å; L322-F341 HydrophobicContact CB-CE1 3.88Å; L322-F341 HydrophobicContact CB-CG 4.38Å; L322-F341 HydrophobicContact CD1-CB 4.49Å; L322-F341 HydrophobicContact CD1-CD1 3.94Å; L322-F341 HydrophobicContact CG-CB 4.25Å; L322-F341 HydrophobicContact CG-CD1 3.82Å; L322-F341 HydrophobicContact CG-CG 4.29Å; L322-C372 PolarHBondContact O-SG 2.83Å | ||
| 323 | D | 75 | Confident | 76.2 | Confident | 120 Ų | 120 | 68.1 Ų | 68.1 | 64% | 0.642 | 40% | 0.398 | S | S | * | . | trans | -72.6 | 107.8 | 165.2 | -169 | -10.9 | 0 | 0 | 0 | 108.6 | S325 | D323-S325 PolarHBondContact O-N 2.78Å; D323-S325 WeakPolarHBondContact OD1-CB 3.47Å; D323-S325 PolarHBondContact OD1-N 3.18Å; D323-S325 PolarHBondContact OD1-OG 3.4Å | ||
| 324 | C | 70.2 | Confident | 75.5 | Confident | 44 Ų | 44 | 70.3 Ų | 70.3 | 30% | 0.297 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 11.3 | -177.5 | -60.4 | 0 | 0 | 0 | 0 | 112.6 | L322 D326 | L322-C324 PolarHBondContact O-N 3.44Å; L322-C324 PolarHBondContact O-SG 2.91Å; C324-D326 VanDerWaalsContact C-N 3.35Å |
| 325 | S | 65.3 | Low | 75.2 | Confident | 94 Ų | 94 | 74.6 Ų | 74.6 | 66% | 0.657 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -23.1 | 180 | -48.3 | 0 | 0 | 0 | 0 | 113 | D323 | D323-S325 PolarHBondContact O-N 2.78Å; D323-S325 WeakPolarHBondContact OD1-CB 3.47Å; D323-S325 PolarHBondContact OD1-N 3.18Å; D323-S325 PolarHBondContact OD1-OG 3.4Å |
| 326 | D | 59.8 | Low | 74.9 | Confident | 91 Ų | 91 | 71.7 Ų | 71.7 | 49% | 0.487 | 42% | 0.424 | S | S | . | . | trans | -124.1 | 98.8 | -179.4 | -167.3 | -12.8 | 0 | 0 | 0 | 111.6 | C324 E328 T329 | C324-D326 VanDerWaalsContact C-N 3.35Å; D326-E328 PolarHBondContact O-N 3.24Å; D326-E328 PolarHBondContact OD1-N 2.99Å; D326-E328 VanDerWaalsContact OD1-N 3.16Å; D326-T329 PolarHBondContact O-OG1 2.73Å; D326-T329 VanDerWaalsContact O-OG1 3.11Å | ||
| 327 | P | 57.3 | Low | 74.6 | Confident | 101 Ų | 101 | 74 Ų | 74 | 66% | 0.656 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -7 | -177 | 28.8 | -32.9 | 0 | 0 | 0 | 114.3 | ||
| 328 | E | 59.1 | Low | 74.3 | Confident | 173 Ų | 173 | 76 Ų | 76 | 81% | 0.808 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -3.5 | -173.7 | -65.5 | -168.5 | 170.2 | 0 | 0 | 114.2 | D326 V330 | D326-E328 PolarHBondContact O-N 3.24Å; D326-E328 PolarHBondContact OD1-N 2.99Å; D326-E328 VanDerWaalsContact OD1-N 3.16Å; E328-V330 PolarHBondContact O-N 3.42Å |
| 329 | T | 55.6 | Low | 74.2 | Confident | 83 Ų | 83 | 79.4 Ų | 79.4 | 51% | 0.509 | 46% | 0.457 | S | S | . | . | trans | -75.8 | 79.9 | -177.8 | 3.9 | 0 | 0 | 0 | 0 | 113.6 | D326 T331 | D326-T329 PolarHBondContact O-OG1 2.73Å; D326-T329 VanDerWaalsContact O-OG1 3.11Å; T329-T331 PolarHBondContact O-N 3.5Å | ||
| 330 | V | 56 | Low | 74.3 | Confident | 130 Ų | 130 | 76.2 Ų | 76.2 | 79% | 0.788 | 43% | 0.433 | S | S | * | . | trans | -75.9 | 105.8 | 168.7 | -176 | 0 | 0 | 0 | 0 | 109.4 | E328 | E328-V330 PolarHBondContact O-N 3.42Š| ||
| 331 | T | 63.5 | Low | 74.3 | Confident | 52 Ų | 52 | 75.5 Ų | 75.5 | 32% | 0.319 | 43% | 0.43 | S | S | . | . | trans | -106.2 | 150.7 | 173.2 | 57.5 | 0 | 0 | 0 | 0 | 110.3 | T329 N333 L334 M337 | T329-T331 PolarHBondContact O-N 3.5Å; T331-N333 PolarHBondContact O-N 3.31Å; T331-L334 WeakPolarHBondContact O-CB 3.49Å; T331-L334 PolarHBondContact O-N 2.92Å; T331-M337 WeakPolarHBondContact OG1-CE 3.38Å | ||
| 332 | P | 57.6 | Low | 74.6 | Confident | 128 Ų | 128 | 75.1 Ų | 75.1 | 83% | 0.831 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -18.8 | -178.8 | 22.1 | -32.5 | 0 | 0 | 0 | 114.1 | ||
| 333 | N | 74.5 | Confident | 75.2 | Confident | 101 Ų | 101 | 73.2 Ų | 73.2 | 54% | 0.54 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 8.3 | -179.6 | -66.2 | -17.4 | 0 | 0 | 0 | 113.6 | T331 P335 E336 M337 | T331-N333 PolarHBondContact O-N 3.31Å; N333-P335 VanDerWaalsContact C-CD 3.46Å; N333-P335 VanDerWaalsContact C-N 3.35Å; N333-E336 PolarHBondContact O-N 3.47Å; N333-E336 VanDerWaalsContact O-N 3.09Å; N333-M337 HydrophobicContact CB-CE 4.37Å; N333-M337 WeakPolarHBondContact O-CG 3.39Å; N333-M337 PolarHBondContact O-N 3.11Å; N333-M337 VanDerWaalsContact O-N 3.09Å |
| 334 | L | 78.3 | Confident | 76.2 | Confident | 46 Ų | 46 | 67.5 Ų | 67.5 | 24% | 0.241 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -50.2 | -45.7 | -174.8 | -174 | 66.8 | 0 | 0 | 0 | 113.5 | L322 T331 E336 M337 E338 | L322-L334 HydrophobicContact CD1-CD1 4.47Å; T331-L334 WeakPolarHBondContact O-CB 3.49Å; T331-L334 PolarHBondContact O-N 2.92Å; L334-E336 VanDerWaalsContact C-N 3.31Å; L334-E336 PolarHBondContact O-N 3.11Å; L334-M337 HydrophobicContact CD1-CE 4.47Å; L334-M337 PolarHBondContact O-N 3.41Å; L334-M337 VanDerWaalsContact O-N 3.11Å; L334-E338 HydrophobicContact CD1-CG 4.22Å; L334-E338 HydrophobicContact CG-CG 4.23Å; L334-E338 WeakPolarHBondContact CG-OE1 3.44Å; L334-E338 WeakPolarHBondContact O-CG 3.35Å; L334-E338 PolarHBondContact O-N 3.04Å |
| 335 | P | 83.6 | Confident | 77.4 | Confident | 90 Ų | 90 | 65.4 Ų | 65.4 | 58% | 0.584 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.6 | -34 | -179.1 | -24.1 | 34.9 | 0 | 0 | 0 | 114.4 | N333 L339 | N333-P335 VanDerWaalsContact C-CD 3.46Å; N333-P335 VanDerWaalsContact C-N 3.35Å; P335-L339 WeakPolarHBondContact O-CB 3.46Å; P335-L339 PolarHBondContact O-N 3.03Å; P335-L339 VanDerWaalsContact O-N 3.13Å |
| 336 | E | 85.5 | Confident | 78.9 | Confident | 54 Ų | 54 | 64.3 Ų | 64.3 | 25% | 0.252 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -76 | -35.9 | 176.9 | 178 | 164.4 | -159.2 | 0 | 0 | 111.4 | K283 G284 N333 L334 L339 N340 | K283-E336 WeakPolarHBondContact CA-OE1 3.42Å; G284-E336 PolarHBondContact N-OE1 3.18Å; N333-E336 PolarHBondContact O-N 3.47Å; N333-E336 VanDerWaalsContact O-N 3.09Å; L334-E336 VanDerWaalsContact C-N 3.31Å; L334-E336 PolarHBondContact O-N 3.11Å; E336-L339 PolarHBondContact O-N 2.96Å; E336-N340 WeakPolarHBondContact O-CB 3.3Å; E336-N340 VanDerWaalsContact O-CG 3.27Å; E336-N340 PolarHBondContact O-N 3.31Å; E336-N340 PolarHBondContact O-ND2 3.26Å; E336-N340 VanDerWaalsContact O-ND2 3.16Å |
| 337 | M | 87.2 | Confident | 80.6 | Confident | 64 Ų | 64 | 60 Ų | 60 | 32% | 0.315 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.6 | -39.9 | 175.8 | -63.2 | -170.4 | -67.1 | 0 | 0 | 111.8 | L322 T331 N333 L334 N340 F341 | L322-M337 HydrophobicContact CD1-CB 4.43Å; L322-M337 HydrophobicContact CD2-CB 3.94Å; L322-M337 HydrophobicContact CD2-SD 4.36Å; T331-M337 WeakPolarHBondContact OG1-CE 3.38Å; N333-M337 HydrophobicContact CB-CE 4.37Å; N333-M337 WeakPolarHBondContact O-CG 3.39Å; N333-M337 PolarHBondContact O-N 3.11Å; N333-M337 VanDerWaalsContact O-N 3.09Å; L334-M337 HydrophobicContact CD1-CE 4.47Å; L334-M337 PolarHBondContact O-N 3.41Å; L334-M337 VanDerWaalsContact O-N 3.11Å; M337-N340 PolarHBondContact O-N 3.27Å; M337-F341 VanDerWaalsContact O-CB 3.31Å; M337-F341 WeakPolarHBondContact O-CB 3.31Å; M337-F341 PolarHBondContact O-N 2.75Å |
| 338 | E | 87.3 | Confident | 82.5 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 172.5 | -72.7 | 171.1 | 164.5 | 0 | 0 | 111.6 | L322 L334 N340 F341 S342 | L322-E338 HydrophobicContact CD1-CG 4.23Å; L334-E338 HydrophobicContact CD1-CG 4.22Å; L334-E338 HydrophobicContact CG-CG 4.23Å; L334-E338 WeakPolarHBondContact CG-OE1 3.44Å; L334-E338 WeakPolarHBondContact O-CG 3.35Å; L334-E338 PolarHBondContact O-N 3.04Å; E338-N340 VanDerWaalsContact C-N 3.34Å; E338-N340 PolarHBondContact O-N 3.41Å; E338-F341 PolarHBondContact O-N 2.97Å; E338-S342 WeakPolarHBondContact O-CB 3.35Å; E338-S342 PolarHBondContact O-N 3.5Å |
| 339 | L | 90.1 | Very high | 84.3 | Confident | 91 Ų | 91 | 47.3 Ų | 47.3 | 48% | 0.476 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 176.2 | -177.6 | 66.8 | 0 | 0 | 0 | 111.7 | A287 P335 E336 A343 | A287-L339 HydrophobicContact CB-CD1 4.36Å; A287-L339 HydrophobicContact CB-CD2 3.92Å; A287-L339 HydrophobicContact CB-CG 3.58Å; P335-L339 WeakPolarHBondContact O-CB 3.46Å; P335-L339 PolarHBondContact O-N 3.03Å; P335-L339 VanDerWaalsContact O-N 3.13Å; E336-L339 PolarHBondContact O-N 2.96Å; L339-A343 WeakPolarHBondContact O-CB 3.49Å; L339-A343 PolarHBondContact O-N 2.85Å; L339-A343 VanDerWaalsContact O-N 3.12Å |
| 340 | N | 92.2 | Very high | 86.2 | Confident | 19 Ų | 19 | 43.9 Ų | 43.9 | 10% | 0.102 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.3 | -42.1 | 175.3 | -75 | -32.4 | 0 | 0 | 0 | 111.5 | K286 A287 M320 E336 M337 E338 A343 A344 | K286-N340 VanDerWaalsContact CB-OD1 3.26Å; K286-N340 WeakPolarHBondContact CB-OD1 3.49Å; A287-N340 PolarHBondContact N-OD1 3.49Å; A287-N340 VanDerWaalsContact N-OD1 3.12Å; M320-N340 HydrophobicContact CB-CB 4.44Å; M320-N340 HydrophobicContact CE-CB 3.74Å; M320-N340 VanDerWaalsContact CE-O 3.29Å; M320-N340 WeakPolarHBondContact CE-O 3.23Å; E336-N340 WeakPolarHBondContact O-CB 3.3Å; E336-N340 VanDerWaalsContact O-CG 3.27Å; E336-N340 PolarHBondContact O-N 3.31Å; E336-N340 PolarHBondContact O-ND2 3.26Å; E336-N340 VanDerWaalsContact O-ND2 3.16Å; M337-N340 PolarHBondContact O-N 3.27Å; E338-N340 VanDerWaalsContact C-N 3.34Å; E338-N340 PolarHBondContact O-N 3.41Å; N340-A343 PolarHBondContact O-N 2.88Å; N340-A344 WeakPolarHBondContact O-CB 3.35Å; N340-A344 PolarHBondContact O-N 3.33Å |
| 341 | F | 92.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.4 | -45.6 | 179.5 | -176.1 | -161.2 | 0 | 0 | 0 | 111.7 | M320 M321 L322 M337 E338 A343 A344 L345 C372 V376 L386 | M320-F341 WeakPolarHBondContact O-CA 3.36Å; M321-F341 HydrophobicContact CB-CD2 3.97Å; M321-F341 HydrophobicContact CB-CE2 3.81Å; M321-F341 HydrophobicContact CE-CE2 3.97Å; M321-F341 HydrophobicContact CG-CD2 3.9Å; M321-F341 HydrophobicContact CG-CE2 3.76Å; L322-F341 HydrophobicContact CB-CD1 3.67Å; L322-F341 HydrophobicContact CB-CE1 3.88Å; L322-F341 HydrophobicContact CB-CG 4.38Å; L322-F341 HydrophobicContact CD1-CB 4.49Å; L322-F341 HydrophobicContact CD1-CD1 3.94Å; L322-F341 HydrophobicContact CG-CB 4.25Å; L322-F341 HydrophobicContact CG-CD1 3.82Å; L322-F341 HydrophobicContact CG-CG 4.29Å; M337-F341 VanDerWaalsContact O-CB 3.31Å; M337-F341 WeakPolarHBondContact O-CB 3.31Å; M337-F341 PolarHBondContact O-N 2.75Å; E338-F341 PolarHBondContact O-N 2.97Å; F341-A343 VanDerWaalsContact C-N 3.34Å; F341-A343 PolarHBondContact O-N 2.84Å; F341-A344 WeakPolarHBondContact O-CB 3.36Å; F341-A344 PolarHBondContact O-N 2.77Å; F341-L345 HydrophobicContact CD2-CD1 4.02Å; F341-L345 HydrophobicContact CD2-CD2 4.5Å; F341-L345 HydrophobicContact CD2-CG 3.88Å; F341-L345 HydrophobicContact CE2-CD1 3.66Å; F341-L345 HydrophobicContact CE2-CD2 3.82Å; F341-L345 HydrophobicContact CE2-CG 3.62Å; F341-L345 HydrophobicContact CZ-CD1 4.03Å; F341-L345 HydrophobicContact CZ-CG 4.45Å; F341-L345 WeakPolarHBondContact O-CG 3.16Å; F341-L345 PolarHBondContact O-N 2.88Å; F341-C372 HydrophobicContact CZ-CB 4.09Å; F341-V376 HydrophobicContact CE1-CG2 3.86Å; F341-V376 HydrophobicContact CZ-CG2 3.91Å; F341-L386 HydrophobicContact CB-CD2 4.11Å; F341-L386 HydrophobicContact CD1-CD1 3.96Å; F341-L386 HydrophobicContact CD1-CD2 3.8Å; F341-L386 HydrophobicContact CE1-CD1 4.23Å; F341-L386 HydrophobicContact CE1-CD2 4.48Å; F341-L386 HydrophobicContact CG-CD2 4.03Å |
| 342 | S | 93 | Very high | 89.5 | Confident | 13 Ų | 13 | 35.2 Ų | 35.2 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -52.6 | -52.5 | 173.3 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | E338 A344 L345 E346 N385 P389 | E338-S342 WeakPolarHBondContact O-CB 3.35Å; E338-S342 PolarHBondContact O-N 3.5Å; S342-A344 VanDerWaalsContact C-N 3.31Å; S342-A344 PolarHBondContact O-N 2.77Å; S342-L345 PolarHBondContact O-N 2.9Å; S342-E346 WeakPolarHBondContact O-CG 3.37Å; S342-E346 PolarHBondContact O-N 2.9Å; S342-N385 PolarHBondContact OG-O 3.44Å; S342-P389 WeakPolarHBondContact OG-CG 3.29Å |
| 343 | A | 95.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 2% | 0.017 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.4 | -34 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A287 C290 L339 N340 F341 E346 A347 | A287-A343 HydrophobicContact CB-CB 3.92Å; C290-A343 HydrophobicContact CB-CB 3.8Å; C290-A343 PolarHBondContact SG-O 3.09Å; L339-A343 WeakPolarHBondContact O-CB 3.49Å; L339-A343 PolarHBondContact O-N 2.85Å; L339-A343 VanDerWaalsContact O-N 3.12Å; N340-A343 PolarHBondContact O-N 2.88Å; F341-A343 VanDerWaalsContact C-N 3.34Å; F341-A343 PolarHBondContact O-N 2.84Å; A343-E346 WeakPolarHBondContact O-CB 2.9Å; A343-E346 PolarHBondContact O-N 3.25Å; A343-A347 PolarHBondContact O-N 3.09Å |
| 344 | A | 96 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L317 M320 N340 F341 S342 E346 A347 I348 | L317-A344 HydrophobicContact CD2-CB 4.27Å; M320-A344 HydrophobicContact CB-CB 3.83Å; M320-A344 HydrophobicContact CE-CB 4.4Å; N340-A344 WeakPolarHBondContact O-CB 3.35Å; N340-A344 PolarHBondContact O-N 3.33Å; F341-A344 WeakPolarHBondContact O-CB 3.36Å; F341-A344 PolarHBondContact O-N 2.77Å; S342-A344 VanDerWaalsContact C-N 3.31Å; S342-A344 PolarHBondContact O-N 2.77Å; A344-E346 VanDerWaalsContact C-N 3.35Å; A344-E346 PolarHBondContact O-N 3.11Å; A344-A347 PolarHBondContact O-N 2.85Å; A344-I348 WeakPolarHBondContact O-CB 3.34Å; A344-I348 VanDerWaalsContact O-CG1 3.23Å; A344-I348 WeakPolarHBondContact O-CG1 3.35Å; A344-I348 PolarHBondContact O-N 3.13Å |
| 345 | L | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.8 | -42.6 | 174.5 | -70.1 | 174.9 | 0 | 0 | 0 | 111.5 | M321 F341 S342 A347 I348 A349 L369 L373 P389 A390 C393 | M321-L345 HydrophobicContact CE-CD2 4.47Å; F341-L345 HydrophobicContact CD2-CD1 4.02Å; F341-L345 HydrophobicContact CD2-CD2 4.5Å; F341-L345 HydrophobicContact CD2-CG 3.88Å; F341-L345 HydrophobicContact CE2-CD1 3.66Å; F341-L345 HydrophobicContact CE2-CD2 3.82Å; F341-L345 HydrophobicContact CE2-CG 3.62Å; F341-L345 HydrophobicContact CZ-CD1 4.03Å; F341-L345 HydrophobicContact CZ-CG 4.45Å; F341-L345 WeakPolarHBondContact O-CG 3.16Å; F341-L345 PolarHBondContact O-N 2.88Å; S342-L345 PolarHBondContact O-N 2.9Å; L345-A347 VanDerWaalsContact C-N 3.34Å; L345-A347 PolarHBondContact O-N 3.34Å; L345-I348 PolarHBondContact O-N 2.98Å; L345-A349 VanDerWaalsContact O-CB 3.31Å; L345-A349 WeakPolarHBondContact O-CB 3.41Å; L345-A349 PolarHBondContact O-N 3.26Å; L345-L369 HydrophobicContact CD2-CD1 4.13Å; L345-L373 HydrophobicContact CD2-CD2 3.94Å; L345-P389 HydrophobicContact CB-CB 3.48Å; L345-P389 VanDerWaalsContact CB-CB 3.48Å; L345-P389 HydrophobicContact CD1-CB 4.2Å; L345-A390 HydrophobicContact CD1-CB 4.13Å; L345-C393 PolarHBondContact O-SG 3.01Å |
| 346 | E | 96 | Very high | 92.5 | Very high | 70 Ų | 70 | 29 Ų | 29 | 33% | 0.327 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -56.8 | -46.8 | 174.5 | -70 | 173.8 | -175.7 | 0 | 0 | 112 | S291 A294 S342 A343 A344 A349 A350 P389 | S291-E346 WeakPolarHBondContact CB-OE2 3.4Å; S291-E346 PolarHBondContact OG-OE2 3.24Å; A294-E346 HydrophobicContact CB-CB 4.02Å; S342-E346 WeakPolarHBondContact O-CG 3.37Å; S342-E346 PolarHBondContact O-N 2.9Å; A343-E346 WeakPolarHBondContact O-CB 2.9Å; A343-E346 PolarHBondContact O-N 3.25Å; A344-E346 VanDerWaalsContact C-N 3.35Å; A344-E346 PolarHBondContact O-N 3.11Å; E346-A349 PolarHBondContact O-N 3.09Å; E346-A350 PolarHBondContact O-N 2.73Å; E346-P389 HydrophobicContact CG-CB 4.04Å; E346-P389 HydrophobicContact CG-CG 3.98Å |
| 347 | A | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.5 | -40 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C290 A294 L317 A343 A344 L345 A350 M351 | C290-A347 WeakPolarHBondContact SG-CB 3.17Å; A294-A347 HydrophobicContact CB-CB 4.12Å; L317-A347 HydrophobicContact CD1-CB 4.09Å; L317-A347 HydrophobicContact CD2-CB 3.85Å; A343-A347 PolarHBondContact O-N 3.09Å; A344-A347 PolarHBondContact O-N 2.85Å; L345-A347 VanDerWaalsContact C-N 3.34Å; L345-A347 PolarHBondContact O-N 3.34Å; A347-A350 PolarHBondContact O-N 3.16Å; A347-M351 VanDerWaalsContact O-CB 3.29Å; A347-M351 WeakPolarHBondContact O-CB 3.41Å; A347-M351 PolarHBondContact O-N 2.8Å |
| 348 | I | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 175 | -68.6 | 166.6 | 0 | 0 | 0 | 110.1 | L317 M321 A344 L345 A350 M351 I352 V362 I366 L369 | L317-I348 HydrophobicContact CB-CD1 4.28Å; L317-I348 HydrophobicContact CB-CG1 4.2Å; L317-I348 HydrophobicContact CD1-CG1 4.02Å; M321-I348 HydrophobicContact SD-CD1 3.95Å; A344-I348 WeakPolarHBondContact O-CB 3.34Å; A344-I348 VanDerWaalsContact O-CG1 3.23Å; A344-I348 WeakPolarHBondContact O-CG1 3.35Å; A344-I348 PolarHBondContact O-N 3.13Å; L345-I348 PolarHBondContact O-N 2.98Å; I348-A350 VanDerWaalsContact C-N 3.29Å; I348-A350 PolarHBondContact O-N 2.95Å; I348-M351 PolarHBondContact O-N 3.12Å; I348-M351 VanDerWaalsContact O-N 3.11Å; I348-I352 HydrophobicContact CG2-CD1 4.15Å; I348-I352 HydrophobicContact CG2-CG2 4.36Å; I348-I352 WeakPolarHBondContact O-CG1 3.48Å; I348-I352 PolarHBondContact O-N 3.45Å; I348-V362 HydrophobicContact CG2-CG1 4.32Å; I348-I366 HydrophobicContact CD1-CD1 3.66Å; I348-I366 HydrophobicContact CG1-CD1 3.93Å; I348-L369 HydrophobicContact CD1-CD1 4.24Å; I348-L369 HydrophobicContact CG2-CD1 4.22Å; I348-L369 HydrophobicContact CG2-CD2 3.69Å |
| 349 | A | 96.3 | Very high | 93 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 7% | 0.066 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.5 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L345 E346 C393 S396 | L345-A349 VanDerWaalsContact O-CB 3.31Å; L345-A349 WeakPolarHBondContact O-CB 3.41Å; L345-A349 PolarHBondContact O-N 3.26Å; E346-A349 PolarHBondContact O-N 3.09Å; A349-C393 HydrophobicContact CB-CB 4.43Å; A349-S396 PolarHBondContact O-OG 3.28Å |
| 350 | A | 96.1 | Very high | 93 | Very high | 12 Ų | 12 | 22.3 Ų | 22.3 | 10% | 0.099 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.2 | -38.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | A294 I297 E298 Q304 E346 A347 I348 | A294-A350 HydrophobicContact CB-CB 4.36Å; I297-A350 HydrophobicContact CD1-CB 4.15Å; I297-A350 HydrophobicContact CG1-CB 3.73Å; E298-A350 HydrophobicContact CB-CB 4.42Å; Q304-A350 VanDerWaalsContact CD-O 3.31Å; Q304-A350 WeakPolarHBondContact CG-O 3.26Å; Q304-A350 PolarHBondContact NE2-O 3.45Å; E346-A350 PolarHBondContact O-N 2.73Å; A347-A350 PolarHBondContact O-N 3.16Å; I348-A350 VanDerWaalsContact C-N 3.29Å; I348-A350 PolarHBondContact O-N 2.95Å |
| 351 | M | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.3 | -40.9 | -177 | -166.9 | 178.5 | -60.1 | 0 | 0 | 113.4 | I297 A307 H308 P314 L317 A347 I348 G353 I358 V362 | I297-M351 HydrophobicContact CD1-CB 4.04Å; A307-M351 HydrophobicContact CB-CE 4.24Å; H308-M351 HydrophobicContact CB-CG 4.29Å; H308-M351 HydrophobicContact CB-SD 3.91Å; P314-M351 HydrophobicContact CG-SD 4.39Å; L317-M351 HydrophobicContact CD1-CE 3.72Å; A347-M351 VanDerWaalsContact O-CB 3.29Å; A347-M351 WeakPolarHBondContact O-CB 3.41Å; A347-M351 PolarHBondContact O-N 2.8Å; I348-M351 PolarHBondContact O-N 3.12Å; I348-M351 VanDerWaalsContact O-N 3.11Å; M351-G353 VanDerWaalsContact C-N 3.32Å; M351-G353 PolarHBondContact O-N 3.23Å; M351-I358 HydrophobicContact CG-CG2 4.05Å; M351-V362 HydrophobicContact CG-CG2 4.01Å; M351-V362 HydrophobicContact SD-CG2 3.51Å; M351-V362 VanDerWaalsContact SD-CG2 3.51Å |
| 352 | I | 93.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 2.5 | -174.5 | 72.1 | -169.9 | 0 | 0 | 0 | 114 | I348 C359 V362 L397 W400 | I348-I352 HydrophobicContact CG2-CD1 4.15Å; I348-I352 HydrophobicContact CG2-CG2 4.36Å; I348-I352 WeakPolarHBondContact O-CG1 3.48Å; I348-I352 PolarHBondContact O-N 3.45Å; I352-C359 HydrophobicContact CB-CB 4.04Å; I352-V362 HydrophobicContact CG2-CB 3.72Å; I352-V362 HydrophobicContact CG2-CG1 3.64Å; I352-V362 HydrophobicContact CG2-CG2 4.05Å; I352-L397 HydrophobicContact CD1-CD2 3.76Å; I352-L397 HydrophobicContact CD1-CG 3.76Å; I352-W400 PolarHBondContact O-NE1 3.02Å; I352-W400 VanDerWaalsContact O-NE1 3.09Å |
| 353 | G | 90.5 | Very high | 92.7 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -76 | -31.2 | -163 | 0 | 0 | 0 | 0 | 0 | 116.5 | M351 R399 | M351-G353 VanDerWaalsContact C-N 3.32Å; M351-G353 PolarHBondContact O-N 3.23Å; G353-R399 VanDerWaalsContact CA-NH2 3.27Å; G353-R399 PolarHBondContact O-NH1 3.45Å; G353-R399 PolarHBondContact O-NH2 3.25Å |
| 354 | F | 89.8 | Confident | 92.5 | Very high | 87 Ų | 87 | 32.5 Ų | 32.5 | 38% | 0.382 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -129 | -6.5 | -167.7 | -68.2 | -94.9 | 0 | 0 | 0 | 115.8 | N299 P301 | N299-F354 HydrophobicContact CB-CE2 4.11Å; N299-F354 HydrophobicContact CB-CZ 4.06Å; N299-F354 WeakPolarHBondContact OD1-CE2 3.29Å; N299-F354 WeakPolarHBondContact OD1-CZ 3.45Å; P301-F354 HydrophobicContact CG-CB 4Å |
| 355 | R | 88.8 | Confident | 92.2 | Very high | 63 Ų | 63 | 36.1 Ų | 36.1 | 24% | 0.238 | 17% | 0.173 | C | C | . | . | trans | -132.1 | 128.5 | 170 | -48.3 | -144.3 | -43.3 | -131.7 | 1.7 | 113.4 | P301 C305 D357 I358 C359 W400 | P301-R355 HydrophobicContact CB-CG 4.09Å; C305-R355 PolarHBondContact SG-NH1 3.12Å; C305-R355 PolarHBondContact SG-NH2 2.83Å; C305-R355 VanDerWaalsContact SG-NH2 3.41Å; R355-D357 WeakPolarHBondContact CB-OD1 3.46Å; R355-D357 IonicContact CZ-OD1 3.28Å; R355-D357 IonicContact CZ-OD2 2.75Å; R355-D357 IonicContact NE-OD1 2.76Å; R355-D357 PolarHBondContact NE-OD1 3.39Å; R355-D357 IonicContact NE-OD2 3.96Å; R355-D357 IonicContact NH2-OD1 3.9Å; R355-D357 PolarHBondContact NH2-OD1 3.27Å; R355-D357 IonicContact NH2-OD2 3.49Å; R355-D357 PolarHBondContact NH2-OD2 3.05Å; R355-D357 PolarHBondContact O-N 3.4Å; R355-I358 HydrophobicContact CB-CB 4.25Å; R355-I358 HydrophobicContact CB-CD1 4.02Å; R355-I358 HydrophobicContact CB-CG1 4.06Å; R355-I358 HydrophobicContact CG-CD1 4.04Å; R355-I358 PolarHBondContact O-N 3.15Å; R355-C359 WeakPolarHBondContact O-CB 3.26Å; R355-C359 PolarHBondContact O-N 3.12Å; R355-W400 VanDerWaalsContact C-CH2 3.47Å | ||
| 356 | E | 88.1 | Confident | 92 | Very high | 82 Ų | 82 | 36.3 Ų | 36.3 | 38% | 0.383 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.5 | -40.6 | -179.1 | -164.2 | 165.3 | -154.1 | 0 | 0 | 111.8 | I358 C359 Q360 W400 | E356-I358 VanDerWaalsContact C-N 3.33Å; E356-I358 PolarHBondContact O-N 2.84Å; E356-C359 WeakPolarHBondContact O-CB 3.31Å; E356-C359 PolarHBondContact O-N 2.89Å; E356-Q360 WeakPolarHBondContact O-CG 3.27Å; E356-Q360 PolarHBondContact O-N 3.03Å; E356-W400 HydrophobicContact CB-CD2 4.14Å; E356-W400 HydrophobicContact CB-CE3 3.55Å; E356-W400 HydrophobicContact CB-CH2 4.06Å; E356-W400 HydrophobicContact CB-CZ3 3.52Å; E356-W400 HydrophobicContact CG-CD2 4.16Å; E356-W400 HydrophobicContact CG-CE3 3.72Å; E356-W400 HydrophobicContact CG-CZ3 4.22Å |
| 357 | D | 89.8 | Confident | 91.7 | Very high | 71 Ų | 71 | 43.5 Ų | 43.5 | 38% | 0.38 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.2 | -38.9 | 179.1 | 70.6 | -53 | 0 | 0 | 0 | 112.1 | R355 R361 | R355-D357 WeakPolarHBondContact CB-OD1 3.46Å; R355-D357 IonicContact CZ-OD1 3.28Å; R355-D357 IonicContact CZ-OD2 2.75Å; R355-D357 IonicContact NE-OD1 2.76Å; R355-D357 PolarHBondContact NE-OD1 3.39Å; R355-D357 IonicContact NE-OD2 3.96Å; R355-D357 IonicContact NH2-OD1 3.9Å; R355-D357 PolarHBondContact NH2-OD1 3.27Å; R355-D357 IonicContact NH2-OD2 3.49Å; R355-D357 PolarHBondContact NH2-OD2 3.05Å; R355-D357 PolarHBondContact O-N 3.4Å; D357-R361 VanDerWaalsContact O-CG 3.26Å; D357-R361 WeakPolarHBondContact O-CG 3.32Å; D357-R361 PolarHBondContact O-N 3.35Å |
| 358 | I | 89.6 | Confident | 91.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.6 | -47.2 | 174.2 | -63 | 176.8 | 0 | 0 | 0 | 110 | Q304 C305 H308 M351 R355 E356 Q360 R361 V362 | Q304-I358 HydrophobicContact CB-CD1 4.21Å; C305-I358 HydrophobicContact CB-CD1 3.92Å; H308-I358 HydrophobicContact CB-CG2 3.88Å; M351-I358 HydrophobicContact CG-CG2 4.05Å; R355-I358 HydrophobicContact CB-CB 4.25Å; R355-I358 HydrophobicContact CB-CD1 4.02Å; R355-I358 HydrophobicContact CB-CG1 4.06Å; R355-I358 HydrophobicContact CG-CD1 4.04Å; R355-I358 PolarHBondContact O-N 3.15Å; E356-I358 VanDerWaalsContact C-N 3.33Å; E356-I358 PolarHBondContact O-N 2.84Å; I358-Q360 VanDerWaalsContact C-N 3.3Å; I358-Q360 PolarHBondContact O-N 3.06Å; I358-R361 PolarHBondContact O-N 3.41Å; I358-R361 VanDerWaalsContact O-N 3.15Å; I358-V362 HydrophobicContact CG2-CG2 4.1Å; I358-V362 WeakPolarHBondContact O-CG2 3.38Å; I358-V362 PolarHBondContact O-N 3.22Å |
| 359 | C | 91.7 | Very high | 91 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -51.9 | -50 | 177.9 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | I352 R355 E356 R361 V362 L363 | I352-C359 HydrophobicContact CB-CB 4.04Å; R355-C359 WeakPolarHBondContact O-CB 3.26Å; R355-C359 PolarHBondContact O-N 3.12Å; E356-C359 WeakPolarHBondContact O-CB 3.31Å; E356-C359 PolarHBondContact O-N 2.89Å; C359-R361 PolarHBondContact O-N 2.92Å; C359-V362 PolarHBondContact O-N 2.95Å; C359-L363 WeakPolarHBondContact O-CG 3.47Å; C359-L363 PolarHBondContact O-N 3.49Å |
| 360 | Q | 90.5 | Very high | 90.7 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.7 | -41.9 | 178.5 | -75.2 | -62.3 | -10.6 | 0 | 0 | 113.3 | E356 I358 L363 N364 E402 | E356-Q360 WeakPolarHBondContact O-CG 3.27Å; E356-Q360 PolarHBondContact O-N 3.03Å; I358-Q360 VanDerWaalsContact C-N 3.3Å; I358-Q360 PolarHBondContact O-N 3.06Å; Q360-L363 PolarHBondContact O-N 3.38Å; Q360-N364 PolarHBondContact O-N 3.1Å; Q360-N364 PolarHBondContact O-ND2 2.99Å; Q360-E402 PolarHBondContact NE2-OE1 3.06Å; Q360-E402 PolarHBondContact NE2-OE2 3.05Å |
| 361 | R | 90 | Very high | 90.3 | Very high | 120 Ų | 120 | 49.9 Ų | 49.9 | 45% | 0.453 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.2 | -44 | 177.6 | -70.1 | 174.2 | -176.9 | -147.5 | 1.5 | 112 | H308 D357 I358 C359 L363 N364 D365 | H308-R361 WeakPolarHBondContact CE1-CB 3.49Å; H308-R361 WeakPolarHBondContact NE2-CB 3.49Å; H308-R361 WeakPolarHBondContact NE2-CD 3.42Å; D357-R361 VanDerWaalsContact O-CG 3.26Å; D357-R361 WeakPolarHBondContact O-CG 3.32Å; D357-R361 PolarHBondContact O-N 3.35Å; I358-R361 PolarHBondContact O-N 3.41Å; I358-R361 VanDerWaalsContact O-N 3.15Å; C359-R361 PolarHBondContact O-N 2.92Å; R361-L363 VanDerWaalsContact C-N 3.3Å; R361-L363 PolarHBondContact O-N 3.26Å; R361-N364 WeakPolarHBondContact O-CB 3.38Å; R361-N364 PolarHBondContact O-N 2.79Å; R361-N364 VanDerWaalsContact O-N 3.09Å; R361-D365 VanDerWaalsContact O-CG 3.3Å; R361-D365 PolarHBondContact O-N 3.41Å |
| 362 | V | 91 | Very high | 90.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60 | -41.3 | 176.6 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | I348 M351 I352 I358 C359 N364 D365 I366 | I348-V362 HydrophobicContact CG2-CG1 4.32Å; M351-V362 HydrophobicContact CG-CG2 4.01Å; M351-V362 HydrophobicContact SD-CG2 3.51Å; M351-V362 VanDerWaalsContact SD-CG2 3.51Å; I352-V362 HydrophobicContact CG2-CB 3.72Å; I352-V362 HydrophobicContact CG2-CG1 3.64Å; I352-V362 HydrophobicContact CG2-CG2 4.05Å; I358-V362 HydrophobicContact CG2-CG2 4.1Å; I358-V362 WeakPolarHBondContact O-CG2 3.38Å; I358-V362 PolarHBondContact O-N 3.22Å; C359-V362 PolarHBondContact O-N 2.95Å; V362-N364 VanDerWaalsContact C-N 3.31Å; V362-N364 PolarHBondContact O-N 3.37Å; V362-D365 PolarHBondContact O-N 2.91Å; V362-I366 HydrophobicContact CG1-CD1 4.05Å; V362-I366 PolarHBondContact O-N 3.22Å |
| 363 | L | 90.5 | Very high | 90 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 14% | 0.141 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -35.3 | 175.6 | -71.5 | 169.1 | 0 | 0 | 0 | 112.8 | C359 Q360 R361 I366 L369 L397 Q403 | C359-L363 WeakPolarHBondContact O-CG 3.47Å; C359-L363 PolarHBondContact O-N 3.49Å; Q360-L363 PolarHBondContact O-N 3.38Å; R361-L363 VanDerWaalsContact C-N 3.3Å; R361-L363 PolarHBondContact O-N 3.26Å; L363-I366 CarbonylContact O-C 3.56Å; L363-L369 HydrophobicContact CD2-CD2 3.81Å; L363-L397 HydrophobicContact CD1-CD2 3.94Å; L363-L397 HydrophobicContact CD2-CD2 4.08Å; L363-L397 HydrophobicContact CG-CD2 4.36Å; L363-Q403 HydrophobicContact CD1-CG 4.26Å; L363-Q403 VanDerWaalsContact CD1-NE2 3.26Å |
| 364 | N | 90.5 | Very high | 90 | Very high | 101 Ų | 101 | 51 Ų | 51 | 54% | 0.54 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.6 | -35.3 | 175.1 | -74.5 | -44.9 | 0 | 0 | 0 | 112.9 | Q360 R361 V362 R367 | Q360-N364 PolarHBondContact O-N 3.1Å; Q360-N364 PolarHBondContact O-ND2 2.99Å; R361-N364 WeakPolarHBondContact O-CB 3.38Å; R361-N364 PolarHBondContact O-N 2.79Å; R361-N364 VanDerWaalsContact O-N 3.09Å; V362-N364 VanDerWaalsContact C-N 3.31Å; V362-N364 PolarHBondContact O-N 3.37Å; N364-R367 VanDerWaalsContact O-CG 3.32Å; N364-R367 WeakPolarHBondContact O-CG 3.49Å; N364-R367 PolarHBondContact O-NE 3.14Å |
| 365 | D | 90.4 | Very high | 89.8 | Confident | 76 Ų | 76 | 47.8 Ų | 47.8 | 41% | 0.406 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -75.1 | -36.1 | 177.8 | -68.5 | -25.9 | 0 | 0 | 0 | 111.7 | H308 P314 R361 V362 | H308-D365 IonicContact CE1-OD2 3.53Å; H308-D365 PolarHBondContact CE1-OD2 3.46Å; P314-D365 HydrophobicContact CB-CB 3.74Å; R361-D365 VanDerWaalsContact O-CG 3.3Å; R361-D365 PolarHBondContact O-N 3.41Å; V362-D365 PolarHBondContact O-N 2.91Å |
| 366 | I | 91.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | trans | -115.4 | 69 | -178 | -47.3 | 179 | 0 | 0 | 0 | 109.7 | P314 L317 M321 I348 V362 L363 S368 L369 | P314-I366 HydrophobicContact CB-CD1 4.47Å; P314-I366 HydrophobicContact CB-CG1 4.42Å; P314-I366 WeakPolarHBondContact O-CD1 3.49Å; P314-I366 WeakPolarHBondContact O-CG1 3.43Å; L317-I366 HydrophobicContact CB-CD1 4.15Å; M321-I366 HydrophobicContact SD-CG2 3.48Å; M321-I366 WeakPolarHBondContact SD-CG2 3.38Å; I348-I366 HydrophobicContact CD1-CD1 3.66Å; I348-I366 HydrophobicContact CG1-CD1 3.93Å; V362-I366 HydrophobicContact CG1-CD1 4.05Å; V362-I366 PolarHBondContact O-N 3.22Å; L363-I366 CarbonylContact O-C 3.56Å; I366-S368 PolarHBondContact O-N 3.49Å; I366-S368 VanDerWaalsContact O-N 3.11Å; I366-L369 HydrophobicContact CB-CB 4.47Å; I366-L369 HydrophobicContact CG2-CB 4.07Å; I366-L369 VanDerWaalsContact O-CB 3.29Å; I366-L369 WeakPolarHBondContact O-CB 3.5Å; I366-L369 PolarHBondContact O-N 3.24Å | ||
| 367 | R | 88.5 | Confident | 90 | Very high | 220 Ų | 220 | 41.6 Ų | 41.6 | 83% | 0.83 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -24.3 | -175.1 | -60.7 | -175.1 | -177.3 | -172.6 | -1.5 | 114.3 | N364 L369 | N364-R367 VanDerWaalsContact O-CG 3.32Å; N364-R367 WeakPolarHBondContact O-CG 3.49Å; N364-R367 PolarHBondContact O-NE 3.14Å; R367-L369 VanDerWaalsContact C-N 3.29Å |
| 368 | S | 88.5 | Confident | 89.9 | Confident | 49 Ų | 49 | 41.4 Ų | 41.4 | 34% | 0.343 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -6.5 | 177.2 | 53 | 0 | 0 | 0 | 0 | 113.8 | I366 G370 S371 C372 | I366-S368 PolarHBondContact O-N 3.49Å; I366-S368 VanDerWaalsContact O-N 3.11Å; S368-G370 VanDerWaalsContact C-N 3.33Å; S368-G370 PolarHBondContact O-N 3.5Å; S368-S371 PolarHBondContact O-N 3.23Å; S368-S371 PolarHBondContact O-OG 3.33Å; S368-C372 WeakPolarHBondContact O-CB 3.04Å; S368-C372 PolarHBondContact O-N 3.37Å; S368-C372 PolarHBondContact O-SG 2.95Å; S368-C372 VanDerWaalsContact O-SG 3.32Å |
| 369 | L | 91.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.7 | -46.2 | -174.1 | -177.7 | 59.3 | 0 | 0 | 0 | 112.3 | M321 L345 I348 L363 I366 R367 C372 L373 | M321-L369 HydrophobicContact CE-CB 4.44Å; M321-L369 HydrophobicContact CE-CD1 3.72Å; M321-L369 HydrophobicContact SD-CD1 4.32Å; L345-L369 HydrophobicContact CD2-CD1 4.13Å; I348-L369 HydrophobicContact CD1-CD1 4.24Å; I348-L369 HydrophobicContact CG2-CD1 4.22Å; I348-L369 HydrophobicContact CG2-CD2 3.69Å; L363-L369 HydrophobicContact CD2-CD2 3.81Å; I366-L369 HydrophobicContact CB-CB 4.47Å; I366-L369 HydrophobicContact CG2-CB 4.07Å; I366-L369 VanDerWaalsContact O-CB 3.29Å; I366-L369 WeakPolarHBondContact O-CB 3.5Å; I366-L369 PolarHBondContact O-N 3.24Å; R367-L369 VanDerWaalsContact C-N 3.29Å; L369-C372 PolarHBondContact O-N 2.89Å; L369-L373 HydrophobicContact CD1-CD1 3.95Å; L369-L373 HydrophobicContact CD1-CD2 4.37Å; L369-L373 HydrophobicContact CD1-CG 3.92Å; L369-L373 HydrophobicContact CG-CD1 3.87Å; L369-L373 HydrophobicContact CG-CG 4.28Å; L369-L373 WeakPolarHBondContact O-CB 3.29Å; L369-L373 VanDerWaalsContact O-CG 3.23Å; L369-L373 WeakPolarHBondContact O-CG 3.32Å; L369-L373 PolarHBondContact O-N 2.91Å |
| 370 | G | 89.6 | Confident | 87.7 | Confident | 30 Ų | 30 | 54.8 Ų | 54.8 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.3 | -47.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S368 L373 L374 | S368-G370 VanDerWaalsContact C-N 3.33Å; S368-G370 PolarHBondContact O-N 3.5Å; G370-L373 PolarHBondContact O-N 3.02Å; G370-L374 PolarHBondContact O-N 3.22Å |
| 371 | S | 87.6 | Confident | 85.8 | Confident | 74 Ų | 74 | 58.8 Ų | 58.8 | 52% | 0.517 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.5 | -38 | 179.8 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | S368 L374 G375 | S368-S371 PolarHBondContact O-N 3.23Å; S368-S371 PolarHBondContact O-OG 3.33Å; S371-L374 PolarHBondContact O-N 2.91Å; S371-G375 PolarHBondContact O-N 2.74Å |
| 372 | C | 89.7 | Confident | 84.1 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.034 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -45.6 | 174.5 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | M321 L322 F341 S368 L369 L374 G375 V376 | M321-C372 HydrophobicContact CE-CB 3.24Å; M321-C372 WeakPolarHBondContact CE-SG 3.26Å; L322-C372 PolarHBondContact O-SG 2.83Å; F341-C372 HydrophobicContact CZ-CB 4.09Å; S368-C372 WeakPolarHBondContact O-CB 3.04Å; S368-C372 PolarHBondContact O-N 3.37Å; S368-C372 PolarHBondContact O-SG 2.95Å; S368-C372 VanDerWaalsContact O-SG 3.32Å; L369-C372 PolarHBondContact O-N 2.89Å; C372-L374 VanDerWaalsContact C-N 3.35Å; C372-L374 PolarHBondContact O-N 3.27Å; C372-G375 PolarHBondContact O-N 2.88Å; C372-V376 WeakPolarHBondContact O-CG2 3.46Å; C372-V376 PolarHBondContact O-N 3.33Å |
| 373 | L | 91.7 | Very high | 82.2 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 176.5 | -70.8 | 174.1 | 0 | 0 | 0 | 111.2 | L345 L369 G370 G375 V376 I377 A390 C393 L394 L397 | L345-L373 HydrophobicContact CD2-CD2 3.94Å; L369-L373 HydrophobicContact CD1-CD1 3.95Å; L369-L373 HydrophobicContact CD1-CD2 4.37Å; L369-L373 HydrophobicContact CD1-CG 3.92Å; L369-L373 HydrophobicContact CG-CD1 3.87Å; L369-L373 HydrophobicContact CG-CG 4.28Å; L369-L373 WeakPolarHBondContact O-CB 3.29Å; L369-L373 VanDerWaalsContact O-CG 3.23Å; L369-L373 WeakPolarHBondContact O-CG 3.32Å; L369-L373 PolarHBondContact O-N 2.91Å; G370-L373 PolarHBondContact O-N 3.02Å; L373-G375 VanDerWaalsContact C-N 3.32Å; L373-G375 PolarHBondContact O-N 3.18Å; L373-V376 PolarHBondContact O-N 3.42Å; L373-I377 WeakPolarHBondContact O-CG1 3.06Å; L373-I377 PolarHBondContact O-N 2.94Å; L373-A390 HydrophobicContact CD2-CB 3.79Å; L373-C393 HydrophobicContact CD1-CB 4.02Å; L373-C393 HydrophobicContact CD2-CB 3.72Å; L373-L394 HydrophobicContact CB-CD2 4.37Å; L373-L394 HydrophobicContact CD1-CD2 3.95Å; L373-L394 HydrophobicContact CD1-CG 4.22Å; L373-L397 HydrophobicContact CD1-CD1 3.85Å |
| 374 | L | 90.1 | Very high | 80.5 | Confident | 21 Ų | 21 | 66 Ų | 66 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.5 | -44 | 175.6 | 178 | 62.5 | 0 | 0 | 0 | 111.6 | G370 S371 C372 I377 S378 R412 I413 | G370-L374 PolarHBondContact O-N 3.22Å; S371-L374 PolarHBondContact O-N 2.91Å; C372-L374 VanDerWaalsContact C-N 3.35Å; C372-L374 PolarHBondContact O-N 3.27Å; L374-I377 HydrophobicContact CD1-CD1 4.44Å; L374-I377 HydrophobicContact CD1-CG1 4.46Å; L374-I377 WeakPolarHBondContact O-CG1 3.28Å; L374-I377 PolarHBondContact O-N 3.43Å; L374-S378 VanDerWaalsContact CD1-OG 3.26Å; L374-S378 WeakPolarHBondContact CD1-OG 3.21Å; L374-S378 WeakPolarHBondContact O-CB 3.06Å; L374-S378 PolarHBondContact O-N 3.47Å; L374-S378 PolarHBondContact O-OG 3.15Å; L374-R412 HydrophobicContact CD1-CB 3.69Å; L374-R412 HydrophobicContact CD2-CB 4.12Å; L374-I413 HydrophobicContact CB-CG1 4.48Å; L374-I413 HydrophobicContact CD1-CG1 3.92Å |
| 375 | G | 87.2 | Confident | 79.9 | Confident | 18 Ų | 18 | 67.8 Ų | 67.8 | 19% | 0.186 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S371 C372 L373 S378 S379 | S371-G375 PolarHBondContact O-N 2.74Å; C372-G375 PolarHBondContact O-N 2.88Å; L373-G375 VanDerWaalsContact C-N 3.32Å; L373-G375 PolarHBondContact O-N 3.18Å; G375-S378 PolarHBondContact O-N 2.99Å; G375-S379 VanDerWaalsContact O-CB 3.28Å; G375-S379 WeakPolarHBondContact O-CB 3.42Å; G375-S379 PolarHBondContact O-N 3.42Å |
| 376 | V | 89.6 | Confident | 79.8 | Confident | 10 Ų | 10 | 65 Ų | 65 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.3 | -49.9 | 178.4 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | F341 C372 L373 S378 S379 L386 A390 | F341-V376 HydrophobicContact CE1-CG2 3.86Å; F341-V376 HydrophobicContact CZ-CG2 3.91Å; C372-V376 WeakPolarHBondContact O-CG2 3.46Å; C372-V376 PolarHBondContact O-N 3.33Å; L373-V376 PolarHBondContact O-N 3.42Å; V376-S378 VanDerWaalsContact C-N 3.34Å; V376-S378 PolarHBondContact O-N 2.88Å; V376-S379 PolarHBondContact O-N 3.48Å; V376-S379 PolarHBondContact O-OG 3.38Å; V376-L386 HydrophobicContact CG1-CB 3.91Å; V376-A390 HydrophobicContact CB-CB 4.08Å; V376-A390 HydrophobicContact CG1-CB 3.61Å |
| 377 | I | 90.7 | Very high | 79.8 | Confident | 6 Ų | 6 | 65.4 Ų | 65.4 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -74.4 | -22.2 | -176.5 | 68.7 | -179.1 | 0 | 0 | 0 | 113.9 | L373 L374 L387 L391 L394 I413 A416 L417 I420 | L373-I377 WeakPolarHBondContact O-CG1 3.06Å; L373-I377 PolarHBondContact O-N 2.94Å; L374-I377 HydrophobicContact CD1-CD1 4.44Å; L374-I377 HydrophobicContact CD1-CG1 4.46Å; L374-I377 WeakPolarHBondContact O-CG1 3.28Å; L374-I377 PolarHBondContact O-N 3.43Å; I377-L387 HydrophobicContact CG2-CD1 4.35Å; I377-L391 HydrophobicContact CG2-CD2 4.48Å; I377-L394 HydrophobicContact CD1-CD1 4.04Å; I377-L394 HydrophobicContact CG2-CD1 3.77Å; I377-I413 HydrophobicContact CD1-CB 4.44Å; I377-I413 HydrophobicContact CD1-CG2 4Å; I377-A416 HydrophobicContact CB-CB 4.4Å; I377-A416 HydrophobicContact CD1-CB 3.88Å; I377-A416 HydrophobicContact CG1-CB 3.78Å; I377-L417 HydrophobicContact CD1-CG 4.38Å; I377-I420 HydrophobicContact CB-CD1 3.87Å; I377-I420 HydrophobicContact CG2-CD1 4.3Å |
| 378 | S | 86.9 | Confident | 80 | Confident | 67 Ų | 67 | 57.4 Ų | 57.4 | 47% | 0.469 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -92 | -16 | 178.1 | -52.8 | 0 | 0 | 0 | 0 | 112.5 | L374 G375 V376 | L374-S378 VanDerWaalsContact CD1-OG 3.26Å; L374-S378 WeakPolarHBondContact CD1-OG 3.21Å; L374-S378 WeakPolarHBondContact O-CB 3.06Å; L374-S378 PolarHBondContact O-N 3.47Å; L374-S378 PolarHBondContact O-OG 3.15Å; G375-S378 PolarHBondContact O-N 2.99Å; V376-S378 VanDerWaalsContact C-N 3.34Å; V376-S378 PolarHBondContact O-N 2.88Å |
| 379 | S | 77.1 | Confident | 80.3 | Confident | 40 Ų | 40 | 55.4 Ų | 55.4 | 28% | 0.28 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -67.5 | 149.1 | 176.1 | 78.1 | 0 | 0 | 0 | 0 | 110.6 | G375 V376 Y381 | G375-S379 VanDerWaalsContact O-CB 3.28Å; G375-S379 WeakPolarHBondContact O-CB 3.42Å; G375-S379 PolarHBondContact O-N 3.42Å; V376-S379 PolarHBondContact O-N 3.48Å; V376-S379 PolarHBondContact O-OG 3.38Å; S379-Y381 PolarHBondContact O-N 2.84Å; S379-Y381 VanDerWaalsContact O-N 3.09Å; S379-Y381 PolarHBondContact OG-N 3.47Å |
| 380 | R | 58 | Low | 80.5 | Confident | 241 Ų | 241 | 55.4 Ų | 55.4 | 91% | 0.909 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -72.7 | 7.2 | 172.4 | -62.2 | -170.9 | -170.9 | -152.4 | 3.3 | 112.7 | H382 | R380-H382 PolarHBondContact O-N 3.2Š|
| 381 | Y | 51 | Low | 80.7 | Confident | 122 Ų | 122 | 54 Ų | 54 | 48% | 0.478 | 27% | 0.272 | S | S | . | . | trans | -99.1 | 59.1 | -172.4 | -66.3 | -72.2 | 0 | 0 | 0 | 112.9 | S379 E383 M384 | S379-Y381 PolarHBondContact O-N 2.84Å; S379-Y381 VanDerWaalsContact O-N 3.09Å; S379-Y381 PolarHBondContact OG-N 3.47Å; Y381-E383 PolarHBondContact O-N 3Å; Y381-M384 HydrophobicContact CD1-CG 4.02Å; Y381-M384 HydrophobicContact CG-CG 4.11Å; Y381-M384 PolarHBondContact O-N 3.13Å | ||
| 382 | H | 54.4 | Low | 81.1 | Confident | 74 Ų | 74 | 52.7 Ų | 52.7 | 34% | 0.343 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -17.8 | 159.8 | -73.1 | -106.7 | 0 | 0 | 0 | 112.2 | R380 L387 | R380-H382 PolarHBondContact O-N 3.2Å; H382-L387 HydrophobicContact CB-CD2 4.27Å; H382-L387 WeakPolarHBondContact ND1-CD2 3.23Å |
| 383 | E | 51.6 | Low | 81.4 | Confident | 157 Ų | 157 | 52.4 Ų | 52.4 | 73% | 0.734 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -13.7 | -174.9 | -62.1 | -177.6 | 168.2 | 0 | 0 | 115.2 | Y381 N385 | Y381-E383 PolarHBondContact O-N 3Å; E383-N385 PolarHBondContact O-N 3.31Å |
| 384 | M | 55.3 | Low | 81.6 | Confident | 67 Ų | 67 | 52.3 Ų | 52.3 | 33% | 0.33 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -95.8 | 21.9 | -163.2 | -70.5 | -72.1 | 118.5 | 0 | 0 | 116.2 | Y381 L386 | Y381-M384 HydrophobicContact CD1-CG 4.02Å; Y381-M384 HydrophobicContact CG-CG 4.11Å; Y381-M384 PolarHBondContact O-N 3.13Å; M384-L386 HydrophobicContact CB-CD1 4.4Å; M384-L386 HydrophobicContact CB-CG 4.47Å; M384-L386 WeakPolarHBondContact O-CG 3.27Å; M384-L386 PolarHBondContact O-N 3Å |
| 385 | N | 77.9 | Confident | 81.9 | Confident | 140 Ų | 140 | 53.7 Ų | 53.7 | 75% | 0.749 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 55.5 | 3 | -175.2 | -63.6 | -41.6 | 0 | 0 | 0 | 115.8 | S342 E383 P389 | S342-N385 PolarHBondContact OG-O 3.44Å; E383-N385 PolarHBondContact O-N 3.31Å; N385-P389 WeakPolarHBondContact O-CD 3.37Å |
| 386 | L | 88.4 | Confident | 82.3 | Confident | 18 Ų | 18 | 53.1 Ų | 53.1 | 9% | 0.094 | 26% | 0.261 | C | S | . | . | trans | -89.2 | -23.8 | -178.2 | -67.2 | 174 | 0 | 0 | 0 | 113.6 | F341 V376 M384 P389 A390 | F341-L386 HydrophobicContact CB-CD2 4.11Å; F341-L386 HydrophobicContact CD1-CD1 3.96Å; F341-L386 HydrophobicContact CD1-CD2 3.8Å; F341-L386 HydrophobicContact CE1-CD1 4.23Å; F341-L386 HydrophobicContact CE1-CD2 4.48Å; F341-L386 HydrophobicContact CG-CD2 4.03Å; V376-L386 HydrophobicContact CG1-CB 3.91Å; M384-L386 HydrophobicContact CB-CD1 4.4Å; M384-L386 HydrophobicContact CB-CG 4.47Å; M384-L386 WeakPolarHBondContact O-CG 3.27Å; M384-L386 PolarHBondContact O-N 3Å; L386-P389 WeakPolarHBondContact O-CD 3.47Å; L386-A390 WeakPolarHBondContact O-CB 3.37Å; L386-A390 PolarHBondContact O-N 3.34Å | ||
| 387 | L | 91.2 | Very high | 82.6 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.6 | -47.4 | -171.1 | -179.9 | 62.3 | 0 | 0 | 0 | 112.6 | I377 H382 A390 L391 I420 V429 | I377-L387 HydrophobicContact CG2-CD1 4.35Å; H382-L387 HydrophobicContact CB-CD2 4.27Å; H382-L387 WeakPolarHBondContact ND1-CD2 3.23Å; L387-A390 PolarHBondContact O-N 3.3Å; L387-L391 HydrophobicContact CD1-CD1 3.99Å; L387-L391 HydrophobicContact CD1-CD2 4.4Å; L387-L391 HydrophobicContact CD1-CG 3.93Å; L387-L391 HydrophobicContact CD2-CD1 4.45Å; L387-L391 HydrophobicContact CG-CD1 3.84Å; L387-L391 HydrophobicContact CG-CG 4.2Å; L387-L391 WeakPolarHBondContact O-CB 3.46Å; L387-L391 VanDerWaalsContact O-CG 3.27Å; L387-L391 WeakPolarHBondContact O-CG 3.4Å; L387-L391 PolarHBondContact O-N 2.81Å; L387-I420 HydrophobicContact CD1-CD1 4.08Å; L387-V429 HydrophobicContact CD2-CG1 3.91Å; L387-V429 HydrophobicContact CD2-CG2 3.92Å |
| 388 | L | 93.1 | Very high | 82.8 | Confident | 53 Ų | 53 | 52.5 Ų | 52.5 | 28% | 0.277 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | -178.9 | -76.5 | 170.3 | 0 | 0 | 0 | 112.6 | A390 L391 S392 E428 V429 | L388-A390 PolarHBondContact O-N 2.77Å; L388-L391 PolarHBondContact O-N 3.04Å; L388-S392 WeakPolarHBondContact O-CB 3.46Å; L388-S392 PolarHBondContact O-N 3.2Å; L388-S392 PolarHBondContact O-OG 3.31Å; L388-E428 HydrophobicContact CD1-CB 4.25Å; L388-E428 VanDerWaalsContact CD1-OE2 3.26Å; L388-E428 WeakPolarHBondContact CD1-OE2 3.41Å; L388-E428 HydrophobicContact CD2-CB 3.88Å; L388-V429 HydrophobicContact CD2-CG2 3.96Å; L388-V429 HydrophobicContact CG-CG2 4.3Å |
| 389 | P | 94.2 | Very high | 83.1 | Confident | 7 Ų | 7 | 54 Ų | 54 | 5% | 0.045 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.1 | -43.9 | 170.7 | -26.7 | 32.9 | 0 | 0 | 0 | 113.5 | S342 L345 E346 N385 L386 S392 C393 | S342-P389 WeakPolarHBondContact OG-CG 3.29Å; L345-P389 HydrophobicContact CB-CB 3.48Å; L345-P389 VanDerWaalsContact CB-CB 3.48Å; L345-P389 HydrophobicContact CD1-CB 4.2Å; E346-P389 HydrophobicContact CG-CB 4.04Å; E346-P389 HydrophobicContact CG-CG 3.98Å; N385-P389 WeakPolarHBondContact O-CD 3.37Å; L386-P389 WeakPolarHBondContact O-CD 3.47Å; P389-S392 WeakPolarHBondContact O-CB 3.17Å; P389-S392 PolarHBondContact O-N 2.98Å; P389-C393 PolarHBondContact O-N 3.15Å |
| 390 | A | 94.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L345 L373 V376 L386 L387 L388 S392 C393 L394 | L345-A390 HydrophobicContact CD1-CB 4.13Å; L373-A390 HydrophobicContact CD2-CB 3.79Å; V376-A390 HydrophobicContact CB-CB 4.08Å; V376-A390 HydrophobicContact CG1-CB 3.61Å; L386-A390 WeakPolarHBondContact O-CB 3.37Å; L386-A390 PolarHBondContact O-N 3.34Å; L387-A390 PolarHBondContact O-N 3.3Å; L388-A390 PolarHBondContact O-N 2.77Å; A390-S392 VanDerWaalsContact C-N 3.27Å; A390-S392 PolarHBondContact O-N 3.17Å; A390-C393 WeakPolarHBondContact O-CB 3.31Å; A390-C393 PolarHBondContact O-N 3.41Å; A390-L394 WeakPolarHBondContact O-CG 3.37Å; A390-L394 PolarHBondContact O-N 3.41Å |
| 391 | L | 95.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.2 | -35.5 | 173.9 | -69.1 | 176.4 | 0 | 0 | 0 | 111.4 | I377 L387 L388 L394 L395 L417 V429 I436 | I377-L391 HydrophobicContact CG2-CD2 4.48Å; L387-L391 HydrophobicContact CD1-CD1 3.99Å; L387-L391 HydrophobicContact CD1-CD2 4.4Å; L387-L391 HydrophobicContact CD1-CG 3.93Å; L387-L391 HydrophobicContact CD2-CD1 4.45Å; L387-L391 HydrophobicContact CG-CD1 3.84Å; L387-L391 HydrophobicContact CG-CG 4.2Å; L387-L391 WeakPolarHBondContact O-CB 3.46Å; L387-L391 VanDerWaalsContact O-CG 3.27Å; L387-L391 WeakPolarHBondContact O-CG 3.4Å; L387-L391 PolarHBondContact O-N 2.81Å; L388-L391 PolarHBondContact O-N 3.04Å; L391-L394 HydrophobicContact CD2-CD1 4.49Å; L391-L394 PolarHBondContact O-N 3.11Å; L391-L395 VanDerWaalsContact O-CB 3.29Å; L391-L395 WeakPolarHBondContact O-CB 3.45Å; L391-L395 PolarHBondContact O-N 3.43Å; L391-L417 HydrophobicContact CD2-CD2 3.59Å; L391-V429 HydrophobicContact CD1-CG1 3.91Å; L391-I436 HydrophobicContact CB-CD1 4.3Å; L391-I436 HydrophobicContact CD2-CD1 3.85Å |
| 392 | S | 95.7 | Very high | 87.1 | Confident | 47 Ų | 47 | 43.9 Ų | 43.9 | 33% | 0.329 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64 | -41 | 174 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | L388 P389 A390 L395 S396 | L388-S392 WeakPolarHBondContact O-CB 3.46Å; L388-S392 PolarHBondContact O-N 3.2Å; L388-S392 PolarHBondContact O-OG 3.31Å; P389-S392 WeakPolarHBondContact O-CB 3.17Å; P389-S392 PolarHBondContact O-N 2.98Å; A390-S392 VanDerWaalsContact C-N 3.27Å; A390-S392 PolarHBondContact O-N 3.17Å; S392-L395 PolarHBondContact O-N 3.25Å; S392-S396 PolarHBondContact O-N 2.91Å; S392-S396 PolarHBondContact O-OG 3.45Å |
| 393 | C | 95.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.8 | -49.5 | 171.8 | -69.1 | 0 | 0 | 0 | 0 | 111.5 | L345 A349 L373 P389 A390 L395 S396 L397 | L345-C393 PolarHBondContact O-SG 3.01Å; A349-C393 HydrophobicContact CB-CB 4.43Å; L373-C393 HydrophobicContact CD1-CB 4.02Å; L373-C393 HydrophobicContact CD2-CB 3.72Å; P389-C393 PolarHBondContact O-N 3.15Å; A390-C393 WeakPolarHBondContact O-CB 3.31Å; A390-C393 PolarHBondContact O-N 3.41Å; C393-L395 VanDerWaalsContact C-N 3.32Å; C393-L395 PolarHBondContact O-N 3.32Å; C393-S396 WeakPolarHBondContact O-CA 3.42Å; C393-S396 WeakPolarHBondContact O-CB 3.36Å; C393-S396 PolarHBondContact O-N 3.19Å; C393-S396 VanDerWaalsContact O-N 3.12Å; C393-L397 WeakPolarHBondContact O-CG 3.33Å; C393-L397 PolarHBondContact O-N 3.09Å |
| 394 | L | 96.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.6 | -39.4 | 179.9 | -70.6 | 168.7 | 0 | 0 | 0 | 111.6 | L373 I377 A390 L391 S396 L397 S398 F408 I413 L417 I436 | L373-L394 HydrophobicContact CB-CD2 4.37Å; L373-L394 HydrophobicContact CD1-CD2 3.95Å; L373-L394 HydrophobicContact CD1-CG 4.22Å; I377-L394 HydrophobicContact CD1-CD1 4.04Å; I377-L394 HydrophobicContact CG2-CD1 3.77Å; A390-L394 WeakPolarHBondContact O-CG 3.37Å; A390-L394 PolarHBondContact O-N 3.41Å; L391-L394 HydrophobicContact CD2-CD1 4.49Å; L391-L394 PolarHBondContact O-N 3.11Å; L394-S396 VanDerWaalsContact C-N 3.34Å; L394-S396 PolarHBondContact O-N 3.01Å; L394-L397 PolarHBondContact O-N 3.33Å; L394-S398 VanDerWaalsContact O-CB 3.31Å; L394-S398 WeakPolarHBondContact O-CB 3.36Å; L394-S398 PolarHBondContact O-N 3.42Å; L394-S398 PolarHBondContact O-OG 2.99Å; L394-F408 HydrophobicContact CB-CE1 4.47Å; L394-F408 HydrophobicContact CB-CZ 4.17Å; L394-F408 HydrophobicContact CD2-CE1 3.94Å; L394-F408 HydrophobicContact CD2-CZ 3.89Å; L394-F408 WeakPolarHBondContact O-CZ 3.39Å; L394-I413 HydrophobicContact CD2-CG2 4.36Å; L394-L417 HydrophobicContact CD1-CD2 4.03Å; L394-I436 HydrophobicContact CB-CD1 3.85Å |
| 395 | L | 96.4 | Very high | 91.9 | Very high | 49 Ų | 49 | 37.2 Ų | 37.2 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 172.8 | 179.4 | 58.7 | 0 | 0 | 0 | 110.7 | L391 S392 C393 L397 S398 A435 I436 | L391-L395 VanDerWaalsContact O-CB 3.29Å; L391-L395 WeakPolarHBondContact O-CB 3.45Å; L391-L395 PolarHBondContact O-N 3.43Å; S392-L395 PolarHBondContact O-N 3.25Å; C393-L395 VanDerWaalsContact C-N 3.32Å; C393-L395 PolarHBondContact O-N 3.32Å; L395-L397 VanDerWaalsContact C-N 3.34Å; L395-L397 PolarHBondContact O-N 3.26Å; L395-S398 PolarHBondContact O-N 2.92Å; L395-S398 PolarHBondContact O-OG 3.33Å; L395-A435 HydrophobicContact CD1-CB 3.68Å; L395-A435 HydrophobicContact CD2-CB 4.19Å; L395-I436 HydrophobicContact CB-CD1 4.42Å; L395-I436 HydrophobicContact CB-CG1 3.82Å; L395-I436 HydrophobicContact CD1-CG1 4.13Å |
| 396 | S | 95.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 34 Ų | 34 | 5% | 0.049 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.5 | -43.1 | 175 | -67.7 | 0 | 0 | 0 | 0 | 113.1 | A349 S392 C393 L394 R399 W400 | A349-S396 PolarHBondContact O-OG 3.28Å; S392-S396 PolarHBondContact O-N 2.91Å; S392-S396 PolarHBondContact O-OG 3.45Å; C393-S396 WeakPolarHBondContact O-CA 3.42Å; C393-S396 WeakPolarHBondContact O-CB 3.36Å; C393-S396 PolarHBondContact O-N 3.19Å; C393-S396 VanDerWaalsContact O-N 3.12Å; L394-S396 VanDerWaalsContact C-N 3.34Å; L394-S396 PolarHBondContact O-N 3.01Å; S396-R399 PolarHBondContact OG-NH2 2.91Å; S396-W400 PolarHBondContact O-NE1 3.08Å |
| 397 | L | 95.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.7 | -69.7 | 169.7 | 0 | 0 | 0 | 112.4 | I352 L363 L373 C393 L394 L395 R399 W400 Q403 T407 F408 | I352-L397 HydrophobicContact CD1-CD2 3.76Å; I352-L397 HydrophobicContact CD1-CG 3.76Å; L363-L397 HydrophobicContact CD1-CD2 3.94Å; L363-L397 HydrophobicContact CD2-CD2 4.08Å; L363-L397 HydrophobicContact CG-CD2 4.36Å; L373-L397 HydrophobicContact CD1-CD1 3.85Å; C393-L397 WeakPolarHBondContact O-CG 3.33Å; C393-L397 PolarHBondContact O-N 3.09Å; L394-L397 PolarHBondContact O-N 3.33Å; L395-L397 VanDerWaalsContact C-N 3.34Å; L395-L397 PolarHBondContact O-N 3.26Å; L397-R399 PolarHBondContact O-N 3.25Å; L397-W400 PolarHBondContact O-N 3.05Å; L397-Q403 HydrophobicContact CB-CB 4.43Å; L397-Q403 HydrophobicContact CD2-CG 4.1Å; L397-Q403 WeakPolarHBondContact O-CB 3.42Å; L397-T407 HydrophobicContact CD1-CG2 4.28Å; L397-F408 HydrophobicContact CB-CE2 3.87Å; L397-F408 HydrophobicContact CB-CZ 4.31Å |
| 398 | S | 94.8 | Very high | 92 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.3 | -15.7 | -175.3 | 70.6 | 0 | 0 | 0 | 0 | 114 | L394 L395 W400 N439 | L394-S398 VanDerWaalsContact O-CB 3.31Å; L394-S398 WeakPolarHBondContact O-CB 3.36Å; L394-S398 PolarHBondContact O-N 3.42Å; L394-S398 PolarHBondContact O-OG 2.99Å; L395-S398 PolarHBondContact O-N 2.92Å; L395-S398 PolarHBondContact O-OG 3.33Å; S398-W400 VanDerWaalsContact C-N 3.27Å; S398-W400 PolarHBondContact O-N 3.25Å; S398-N439 WeakPolarHBondContact O-CB 3.48Å; S398-N439 PolarHBondContact OG-ND2 3.37Å |
| 399 | R | 92.8 | Very high | 91.7 | Very high | 99 Ų | 99 | 38.2 Ų | 38.2 | 37% | 0.374 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -19.8 | 175.5 | -68.8 | -178.8 | -86.8 | -175.6 | -10.4 | 113.2 | G353 S396 L397 | G353-R399 VanDerWaalsContact CA-NH2 3.27Å; G353-R399 PolarHBondContact O-NH1 3.45Å; G353-R399 PolarHBondContact O-NH2 3.25Å; S396-R399 PolarHBondContact OG-NH2 2.91Å; L397-R399 PolarHBondContact O-N 3.25Å |
| 400 | W | 92.7 | Very high | 91.4 | Very high | 39 Ų | 39 | 39.9 Ų | 39.9 | 15% | 0.148 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -100.2 | 126.6 | -174.7 | -53.9 | 110.8 | 0 | 0 | 0 | 111.5 | I352 R355 E356 S396 L397 S398 E402 Q403 L404 | I352-W400 PolarHBondContact O-NE1 3.02Å; I352-W400 VanDerWaalsContact O-NE1 3.09Å; R355-W400 VanDerWaalsContact C-CH2 3.47Å; E356-W400 HydrophobicContact CB-CD2 4.14Å; E356-W400 HydrophobicContact CB-CE3 3.55Å; E356-W400 HydrophobicContact CB-CH2 4.06Å; E356-W400 HydrophobicContact CB-CZ3 3.52Å; E356-W400 HydrophobicContact CG-CD2 4.16Å; E356-W400 HydrophobicContact CG-CE3 3.72Å; E356-W400 HydrophobicContact CG-CZ3 4.22Å; S396-W400 PolarHBondContact O-NE1 3.08Å; L397-W400 PolarHBondContact O-N 3.05Å; S398-W400 VanDerWaalsContact C-N 3.27Å; S398-W400 PolarHBondContact O-N 3.25Å; W400-E402 VanDerWaalsContact C-N 3.28Å; W400-E402 PolarHBondContact O-N 3.14Å; W400-Q403 HydrophobicContact CB-CB 4.07Å; W400-Q403 HydrophobicContact CB-CG 3.83Å; W400-Q403 HydrophobicContact CG-CG 4.46Å; W400-Q403 PolarHBondContact O-N 3.02Å; W400-L404 PolarHBondContact O-N 3.07Å; W400-L404 VanDerWaalsContact O-N 3.08Å |
| 401 | V | 89.4 | Confident | 91.1 | Very high | 61 Ų | 61 | 43.1 Ų | 43.1 | 37% | 0.37 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59 | -40 | -178.4 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | Q403 L404 R405 F444 | V401-Q403 VanDerWaalsContact C-N 3.29Å; V401-Q403 PolarHBondContact O-N 3.17Å; V401-L404 PolarHBondContact O-N 3.37Å; V401-R405 PolarHBondContact O-N 2.81Å; V401-F444 HydrophobicContact CB-CE2 4.42Å; V401-F444 HydrophobicContact CG1-CD2 4.06Å; V401-F444 HydrophobicContact CG1-CE2 4.16Å; V401-F444 HydrophobicContact CG2-CD2 4.47Å; V401-F444 HydrophobicContact CG2-CE2 3.78Å; V401-F444 HydrophobicContact CG2-CZ 4.08Å |
| 402 | E | 88.9 | Confident | 90.9 | Very high | 91 Ų | 91 | 50 Ų | 50 | 43% | 0.425 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.2 | -37.2 | 177.8 | -165.9 | -179.1 | 158.3 | 0 | 0 | 112 | Q360 W400 R405 T406 | Q360-E402 PolarHBondContact NE2-OE1 3.06Å; Q360-E402 PolarHBondContact NE2-OE2 3.05Å; W400-E402 VanDerWaalsContact C-N 3.28Å; W400-E402 PolarHBondContact O-N 3.14Å; E402-R405 CarbonylContact O-C 3.59Å; E402-R405 PolarHBondContact O-N 3.27Å; E402-R405 VanDerWaalsContact O-N 3.13Å; E402-T406 WeakPolarHBondContact O-CG2 3.31Å; E402-T406 PolarHBondContact O-N 3.47Å; E402-T406 VanDerWaalsContact O-N 3.09Å; E402-T406 PolarHBondContact O-OG1 3.18Å |
| 403 | Q | 89.2 | Confident | 90.7 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -74.2 | -31.7 | -179.8 | -62.3 | -53.5 | -44.1 | 0 | 0 | 112.6 | L363 L397 W400 V401 R405 T406 T407 F408 | L363-Q403 HydrophobicContact CD1-CG 4.26Å; L363-Q403 VanDerWaalsContact CD1-NE2 3.26Å; L397-Q403 HydrophobicContact CB-CB 4.43Å; L397-Q403 HydrophobicContact CD2-CG 4.1Å; L397-Q403 WeakPolarHBondContact O-CB 3.42Å; W400-Q403 HydrophobicContact CB-CB 4.07Å; W400-Q403 HydrophobicContact CB-CG 3.83Å; W400-Q403 HydrophobicContact CG-CG 4.46Å; W400-Q403 PolarHBondContact O-N 3.02Å; V401-Q403 VanDerWaalsContact C-N 3.29Å; V401-Q403 PolarHBondContact O-N 3.17Å; Q403-R405 PolarHBondContact O-N 2.89Å; Q403-T406 WeakPolarHBondContact CA-OG1 3.27Å; Q403-T406 PolarHBondContact O-N 2.89Å; Q403-T406 PolarHBondContact OE1-OG1 3.49Å; Q403-T407 PolarHBondContact O-N 3.4Å; Q403-T407 PolarHBondContact OE1-OG1 3.15Å; Q403-F408 WeakPolarHBondContact O-CD2 3.4Å; Q403-F408 PolarHBondContact O-N 3.32Å |
| 404 | L | 86.1 | Confident | 90.4 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.4 | -29.6 | 168.6 | -64.8 | 175.7 | 0 | 0 | 0 | 112.3 | W400 V401 F408 L440 F444 P446 | W400-L404 PolarHBondContact O-N 3.07Å; W400-L404 VanDerWaalsContact O-N 3.08Å; V401-L404 PolarHBondContact O-N 3.37Å; L404-F408 HydrophobicContact CD2-CD2 4.07Å; L404-F408 HydrophobicContact CD2-CG 4.47Å; L404-L440 HydrophobicContact CD2-CD2 3.45Å; L404-L440 VanDerWaalsContact CD2-CD2 3.45Å; L404-F444 HydrophobicContact CD1-CD2 4.23Å; L404-F444 HydrophobicContact CD1-CE2 3.68Å; L404-P446 VanDerWaalsContact O-CD 3.31Å; L404-P446 WeakPolarHBondContact O-CD 3.45Å; L404-P446 WeakPolarHBondContact O-CG 3.37Å |
| 405 | R | 86.7 | Confident | 90.3 | Very high | 151 Ų | 151 | 54.7 Ų | 54.7 | 57% | 0.57 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -95.1 | -8.2 | -178.7 | -66.4 | 178.8 | 176.6 | 176 | -0.6 | 114.7 | V401 E402 Q403 F409 | V401-R405 PolarHBondContact O-N 2.81Å; E402-R405 CarbonylContact O-C 3.59Å; E402-R405 PolarHBondContact O-N 3.27Å; E402-R405 VanDerWaalsContact O-N 3.13Å; Q403-R405 PolarHBondContact O-N 2.89Å; R405-F409 WeakPolarHBondContact O-CB 3.4Å |
| 406 | T | 86.7 | Confident | 90.1 | Very high | 72 Ų | 72 | 52.9 Ų | 52.9 | 44% | 0.442 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -77.1 | -177.1 | 50.7 | 0 | 0 | 0 | 0 | 109.6 | E402 Q403 F408 F409 | E402-T406 WeakPolarHBondContact O-CG2 3.31Å; E402-T406 PolarHBondContact O-N 3.47Å; E402-T406 VanDerWaalsContact O-N 3.09Å; E402-T406 PolarHBondContact O-OG1 3.18Å; Q403-T406 WeakPolarHBondContact CA-OG1 3.27Å; Q403-T406 PolarHBondContact O-N 2.89Å; Q403-T406 PolarHBondContact OE1-OG1 3.49Å; T406-F408 PolarHBondContact O-N 3.41Å; T406-F409 WeakPolarHBondContact O-CB 3.47Å; T406-F409 PolarHBondContact O-N 3.23Å |
| 407 | T | 85 | Confident | 90.1 | Very high | 25 Ų | 25 | 52.6 Ų | 52.6 | 15% | 0.153 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -55.4 | -53.6 | 179 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | L397 Q403 F409 I413 | L397-T407 HydrophobicContact CD1-CG2 4.28Å; Q403-T407 PolarHBondContact O-N 3.4Å; Q403-T407 PolarHBondContact OE1-OG1 3.15Å; T407-F409 PolarHBondContact O-N 3.44Å; T407-I413 HydrophobicContact CG2-CD1 3.99Å; T407-I413 VanDerWaalsContact O-CD1 3.28Å; T407-I413 WeakPolarHBondContact O-CD1 3.46Å |
| 408 | F | 88.7 | Confident | 90.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -81.6 | 1.3 | -176.9 | -65.1 | -82.5 | 0 | 0 | 0 | 114.7 | L394 L397 Q403 L404 T406 I413 L417 I436 L440 | L394-F408 HydrophobicContact CB-CE1 4.47Å; L394-F408 HydrophobicContact CB-CZ 4.17Å; L394-F408 HydrophobicContact CD2-CE1 3.94Å; L394-F408 HydrophobicContact CD2-CZ 3.89Å; L394-F408 WeakPolarHBondContact O-CZ 3.39Å; L397-F408 HydrophobicContact CB-CE2 3.87Å; L397-F408 HydrophobicContact CB-CZ 4.31Å; Q403-F408 WeakPolarHBondContact O-CD2 3.4Å; Q403-F408 PolarHBondContact O-N 3.32Å; L404-F408 HydrophobicContact CD2-CD2 4.07Å; L404-F408 HydrophobicContact CD2-CG 4.47Å; T406-F408 PolarHBondContact O-N 3.41Å; F408-I413 HydrophobicContact CD1-CG2 3.81Å; F408-I413 HydrophobicContact CE1-CG2 4Å; F408-L417 HydrophobicContact CE1-CD1 4.09Å; F408-I436 HydrophobicContact CE1-CG2 4.22Å; F408-L440 HydrophobicContact CB-CD2 4.04Å; F408-L440 HydrophobicContact CD1-CD1 4.02Å; F408-L440 HydrophobicContact CD1-CD2 3.48Å; F408-L440 VanDerWaalsContact CD1-CD2 3.48Å; F408-L440 HydrophobicContact CD1-CG 4.39Å; F408-L440 HydrophobicContact CD2-CD2 4.12Å; F408-L440 HydrophobicContact CE1-CD1 4.33Å; F408-L440 HydrophobicContact CE1-CD2 3.89Å; F408-L440 HydrophobicContact CE2-CD2 4.49Å; F408-L440 HydrophobicContact CG-CD2 3.61Å; F408-L440 HydrophobicContact CZ-CD2 4.39Å |
| 409 | F | 86.6 | Confident | 90 | Very high | 146 Ų | 146 | 60.2 Ų | 60.2 | 64% | 0.64 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -71.8 | -23.7 | 172.8 | -170.8 | -98.4 | 0 | 0 | 0 | 111.9 | R405 T406 T407 D411 P446 | R405-F409 WeakPolarHBondContact O-CB 3.4Å; T406-F409 WeakPolarHBondContact O-CB 3.47Å; T406-F409 PolarHBondContact O-N 3.23Å; T407-F409 PolarHBondContact O-N 3.44Å; F409-D411 PolarHBondContact O-N 2.83Å; F409-P446 HydrophobicContact CD2-CB 3.92Å; F409-P446 HydrophobicContact CD2-CG 3.95Å; F409-P446 HydrophobicContact CE2-CB 4.26Å |
| 410 | D | 86.5 | Confident | 90.1 | Very high | 41 Ų | 41 | 55.5 Ų | 55.5 | 22% | 0.219 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -66.7 | 112.7 | 171.8 | -171.7 | -18 | 0 | 0 | 0 | 110.5 | R412 I413 | D410-R412 PolarHBondContact O-N 2.88Å; D410-R412 VanDerWaalsContact O-N 3.15Å; D410-R412 VanDerWaalsContact OD1-CB 3.27Å; D410-R412 WeakPolarHBondContact OD1-CB 3.45Å; D410-R412 WeakPolarHBondContact OD1-CG 3.33Å; D410-R412 IonicContact OD1-CZ 3.29Å; D410-R412 PolarHBondContact OD1-N 3.48Å; D410-R412 VanDerWaalsContact OD1-N 3.1Å; D410-R412 IonicContact OD1-NE 3.73Å; D410-R412 PolarHBondContact OD1-NE 3.06Å; D410-R412 IonicContact OD1-NH2 2.66Å; D410-R412 IonicContact OD2-CZ 3.97Å; D410-R412 VanDerWaalsContact OD2-CZ 3.29Å; D410-R412 IonicContact OD2-NE 2.86Å; D410-R412 PolarHBondContact OD2-NE 3.32Å; D410-R412 VanDerWaalsContact OD2-NE 3.15Å; D410-R412 IonicContact OD2-NH2 3.72Å; D410-R412 PolarHBondContact OD2-NH2 3.29Å; D410-I413 HydrophobicContact CB-CD1 4.29Å; D410-I413 HydrophobicContact CB-CG1 4.19Å; D410-I413 WeakPolarHBondContact O-CB 3.22Å; D410-I413 PolarHBondContact O-N 2.83Å |
| 411 | D | 88.6 | Confident | 90.2 | Very high | 68 Ų | 68 | 53.7 Ų | 53.7 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.4 | -24.4 | -174.4 | 74 | -34.8 | 0 | 0 | 0 | 113.1 | F409 I413 F414 K415 | F409-D411 PolarHBondContact O-N 2.83Å; D411-I413 PolarHBondContact O-N 3.17Å; D411-F414 HydrophobicContact CB-CD1 4.19Å; D411-F414 HydrophobicContact CB-CE1 3.44Å; D411-F414 VanDerWaalsContact CB-CE1 3.44Å; D411-F414 HydrophobicContact CB-CZ 3.96Å; D411-K415 VanDerWaalsContact O-CB 3.32Å; D411-K415 WeakPolarHBondContact O-CB 3.4Å; D411-K415 WeakPolarHBondContact O-CD 3.34Å; D411-K415 WeakPolarHBondContact O-CG 3.49Å; D411-K415 PolarHBondContact O-N 2.88Å; D411-K415 WeakPolarHBondContact OD2-CE 3.29Å; D411-K415 IonicContact OD2-NZ 2.67Å; D411-K415 PolarHBondContact OD2-NZ 3.38Å |
| 412 | R | 91.4 | Very high | 90.4 | Very high | 144 Ų | 144 | 52.6 Ų | 52.6 | 54% | 0.543 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.1 | -34.5 | 175.3 | -58 | 174.8 | -69.2 | -179.2 | 0.2 | 111.4 | L374 D410 A416 | L374-R412 HydrophobicContact CD1-CB 3.69Å; L374-R412 HydrophobicContact CD2-CB 4.12Å; D410-R412 PolarHBondContact O-N 2.88Å; D410-R412 VanDerWaalsContact O-N 3.15Å; D410-R412 VanDerWaalsContact OD1-CB 3.27Å; D410-R412 WeakPolarHBondContact OD1-CB 3.45Å; D410-R412 WeakPolarHBondContact OD1-CG 3.33Å; D410-R412 IonicContact OD1-CZ 3.29Å; D410-R412 PolarHBondContact OD1-N 3.48Å; D410-R412 VanDerWaalsContact OD1-N 3.1Å; D410-R412 IonicContact OD1-NE 3.73Å; D410-R412 PolarHBondContact OD1-NE 3.06Å; D410-R412 IonicContact OD1-NH2 2.66Å; D410-R412 IonicContact OD2-CZ 3.97Å; D410-R412 VanDerWaalsContact OD2-CZ 3.29Å; D410-R412 IonicContact OD2-NE 2.86Å; D410-R412 PolarHBondContact OD2-NE 3.32Å; D410-R412 VanDerWaalsContact OD2-NE 3.15Å; D410-R412 IonicContact OD2-NH2 3.72Å; D410-R412 PolarHBondContact OD2-NH2 3.29Å; R412-A416 VanDerWaalsContact O-CB 3.26Å; R412-A416 WeakPolarHBondContact O-CB 3.43Å; R412-A416 PolarHBondContact O-N 2.93Å |
| 413 | I | 92 | Very high | 90.5 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.5 | -53.1 | -179.4 | -63.4 | -173.8 | 0 | 0 | 0 | 110.6 | L374 I377 L394 T407 F408 D410 D411 K415 A416 L417 | L374-I413 HydrophobicContact CB-CG1 4.48Å; L374-I413 HydrophobicContact CD1-CG1 3.92Å; I377-I413 HydrophobicContact CD1-CB 4.44Å; I377-I413 HydrophobicContact CD1-CG2 4Å; L394-I413 HydrophobicContact CD2-CG2 4.36Å; T407-I413 HydrophobicContact CG2-CD1 3.99Å; T407-I413 VanDerWaalsContact O-CD1 3.28Å; T407-I413 WeakPolarHBondContact O-CD1 3.46Å; F408-I413 HydrophobicContact CD1-CG2 3.81Å; F408-I413 HydrophobicContact CE1-CG2 4Å; D410-I413 HydrophobicContact CB-CD1 4.29Å; D410-I413 HydrophobicContact CB-CG1 4.19Å; D410-I413 WeakPolarHBondContact O-CB 3.22Å; D410-I413 PolarHBondContact O-N 2.83Å; D411-I413 PolarHBondContact O-N 3.17Å; I413-K415 VanDerWaalsContact C-N 3.3Å; I413-K415 PolarHBondContact O-N 3.35Å; I413-A416 PolarHBondContact O-N 3.28Å; I413-L417 HydrophobicContact CG2-CD1 3.82Å; I413-L417 HydrophobicContact CG2-CG 4.44Å; I413-L417 VanDerWaalsContact O-CG 3.31Å; I413-L417 WeakPolarHBondContact O-CG 3.46Å; I413-L417 PolarHBondContact O-N 3.33Å |
| 414 | F | 89.9 | Confident | 90.5 | Very high | 26 Ų | 26 | 52.1 Ų | 52.1 | 11% | 0.114 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.2 | -32.8 | -178 | 79.5 | -107.9 | 0 | 0 | 0 | 111.7 | D411 L417 Y418 L440 C447 L451 | D411-F414 HydrophobicContact CB-CD1 4.19Å; D411-F414 HydrophobicContact CB-CE1 3.44Å; D411-F414 VanDerWaalsContact CB-CE1 3.44Å; D411-F414 HydrophobicContact CB-CZ 3.96Å; F414-L417 PolarHBondContact O-N 3.25Å; F414-Y418 WeakPolarHBondContact O-CB 3.5Å; F414-Y418 PolarHBondContact O-N 3.17Å; F414-L440 HydrophobicContact CB-CD1 4.46Å; F414-C447 HydrophobicContact CB-CB 4.29Å; F414-C447 HydrophobicContact CD1-CB 3.72Å; F414-C447 HydrophobicContact CE1-CB 4.26Å; F414-C447 HydrophobicContact CG-CB 4.11Å; F414-L451 HydrophobicContact CB-CD2 4.22Å; F414-L451 HydrophobicContact CB-CG 4.45Å; F414-L451 HydrophobicContact CD2-CD2 3.86Å; F414-L451 HydrophobicContact CD2-CG 4.09Å; F414-L451 HydrophobicContact CG-CD2 4.42Å; F414-L451 HydrophobicContact CG-CG 4.47Å |
| 415 | K | 93.2 | Very high | 90.7 | Very high | 116 Ų | 116 | 60.6 Ų | 60.6 | 50% | 0.504 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 173.9 | -74.4 | 172 | 179.5 | 171.1 | 0 | 111.7 | D411 I413 Y418 H419 | D411-K415 VanDerWaalsContact O-CB 3.32Å; D411-K415 WeakPolarHBondContact O-CB 3.4Å; D411-K415 WeakPolarHBondContact O-CD 3.34Å; D411-K415 WeakPolarHBondContact O-CG 3.49Å; D411-K415 PolarHBondContact O-N 2.88Å; D411-K415 WeakPolarHBondContact OD2-CE 3.29Å; D411-K415 IonicContact OD2-NZ 2.67Å; D411-K415 PolarHBondContact OD2-NZ 3.38Å; I413-K415 VanDerWaalsContact C-N 3.3Å; I413-K415 PolarHBondContact O-N 3.35Å; K415-Y418 PolarHBondContact O-N 3.19Å; K415-H419 PolarHBondContact O-N 3.08Å |
| 416 | A | 93.2 | Very high | 90.9 | Very high | 12 Ų | 12 | 57.4 Ų | 57.4 | 10% | 0.099 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63 | -44.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I377 R412 I413 Y418 H419 I420 | I377-A416 HydrophobicContact CB-CB 4.4Å; I377-A416 HydrophobicContact CD1-CB 3.88Å; I377-A416 HydrophobicContact CG1-CB 3.78Å; R412-A416 VanDerWaalsContact O-CB 3.26Å; R412-A416 WeakPolarHBondContact O-CB 3.43Å; R412-A416 PolarHBondContact O-N 2.93Å; I413-A416 PolarHBondContact O-N 3.28Å; A416-Y418 VanDerWaalsContact C-N 3.34Å; A416-Y418 PolarHBondContact O-N 3.47Å; A416-H419 WeakPolarHBondContact O-CB 3.38Å; A416-H419 PolarHBondContact O-N 3.19Å; A416-I420 VanDerWaalsContact O-CG1 3.31Å; A416-I420 WeakPolarHBondContact O-CG1 3.36Å; A416-I420 PolarHBondContact O-N 2.8Å |
| 417 | L | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 176.4 | -68.2 | 167.5 | 0 | 0 | 0 | 112.3 | I377 L391 L394 F408 I413 F414 I420 L421 V433 I436 M437 L440 | I377-L417 HydrophobicContact CD1-CG 4.38Å; L391-L417 HydrophobicContact CD2-CD2 3.59Å; L394-L417 HydrophobicContact CD1-CD2 4.03Å; F408-L417 HydrophobicContact CE1-CD1 4.09Å; I413-L417 HydrophobicContact CG2-CD1 3.82Å; I413-L417 HydrophobicContact CG2-CG 4.44Å; I413-L417 VanDerWaalsContact O-CG 3.31Å; I413-L417 WeakPolarHBondContact O-CG 3.46Å; I413-L417 PolarHBondContact O-N 3.33Å; F414-L417 PolarHBondContact O-N 3.25Å; L417-I420 PolarHBondContact O-N 3.43Å; L417-L421 WeakPolarHBondContact O-CB 3.29Å; L417-L421 PolarHBondContact O-N 2.92Å; L417-V433 HydrophobicContact CB-CG2 4.23Å; L417-V433 HydrophobicContact CD2-CG2 4.11Å; L417-V433 WeakPolarHBondContact O-CG2 3.38Å; L417-I436 HydrophobicContact CD1-CG2 3.87Å; L417-I436 HydrophobicContact CD2-CD1 4.12Å; L417-M437 HydrophobicContact CB-CE 3.51Å; L417-M437 WeakPolarHBondContact O-CE 3.28Å; L417-L440 HydrophobicContact CD1-CD1 3.99Å |
| 418 | Y | 95 | Very high | 91.7 | Very high | 55 Ų | 55 | 62 Ų | 62 | 22% | 0.216 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 174.9 | -177.6 | -95.1 | 0 | 0 | 0 | 111.3 | F414 K415 A416 L421 A422 A454 G455 L456 | F414-Y418 WeakPolarHBondContact O-CB 3.5Å; F414-Y418 PolarHBondContact O-N 3.17Å; K415-Y418 PolarHBondContact O-N 3.19Å; A416-Y418 VanDerWaalsContact C-N 3.34Å; A416-Y418 PolarHBondContact O-N 3.47Å; Y418-L421 HydrophobicContact CD2-CD2 4.43Å; Y418-L421 WeakPolarHBondContact O-CB 3.39Å; Y418-L421 PolarHBondContact O-N 3.17Å; Y418-A422 WeakPolarHBondContact O-CB 3.16Å; Y418-A422 PolarHBondContact O-N 3.2Å; Y418-A454 HydrophobicContact CD1-CB 4.34Å; Y418-A454 HydrophobicContact CD2-CB 4.41Å; Y418-A454 HydrophobicContact CE1-CB 4.35Å; Y418-A454 HydrophobicContact CE2-CB 4.41Å; Y418-A454 HydrophobicContact CG-CB 4.39Å; Y418-A454 PolarHBondContact OH-O 3.37Å; Y418-G455 PolarHBondContact OH-O 3.21Å; Y418-L456 HydrophobicContact CD2-CD1 4.3Å; Y418-L456 HydrophobicContact CE2-CB 4.36Å; Y418-L456 HydrophobicContact CE2-CD1 4.44Å |
| 419 | H | 93.6 | Very high | 91.9 | Very high | 108 Ų | 108 | 62.4 Ų | 62.4 | 50% | 0.5 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 173.9 | -177.1 | 70.2 | 0 | 0 | 0 | 111.4 | K415 A416 L421 A422 T423 | K415-H419 PolarHBondContact O-N 3.08Å; A416-H419 WeakPolarHBondContact O-CB 3.38Å; A416-H419 PolarHBondContact O-N 3.19Å; H419-L421 VanDerWaalsContact C-N 3.33Å; H419-L421 PolarHBondContact O-N 3.23Å; H419-A422 WeakPolarHBondContact O-CB 3.38Å; H419-A422 PolarHBondContact O-N 3.5Å; H419-T423 PolarHBondContact O-N 3.02Å; H419-T423 PolarHBondContact O-OG1 3.35Å |
| 420 | I | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.2 | -46.1 | 175.9 | -66.9 | 164.2 | 0 | 0 | 0 | 111.1 | I377 L387 A416 L417 A422 T423 S424 V429 V433 | I377-I420 HydrophobicContact CB-CD1 3.87Å; I377-I420 HydrophobicContact CG2-CD1 4.3Å; L387-I420 HydrophobicContact CD1-CD1 4.08Å; A416-I420 VanDerWaalsContact O-CG1 3.31Å; A416-I420 WeakPolarHBondContact O-CG1 3.36Å; A416-I420 PolarHBondContact O-N 2.8Å; L417-I420 PolarHBondContact O-N 3.43Å; I420-A422 VanDerWaalsContact C-N 3.25Å; I420-A422 PolarHBondContact O-N 3.08Å; I420-T423 PolarHBondContact O-N 3Å; I420-S424 WeakPolarHBondContact O-CB 3.13Å; I420-S424 PolarHBondContact O-N 2.77Å; I420-V429 HydrophobicContact CG2-CG1 3.63Å; I420-V433 HydrophobicContact CG2-CB 4.4Å; I420-V433 HydrophobicContact CG2-CG2 4.33Å |
| 421 | L | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.9 | -36.2 | 176.3 | 176.2 | 70.8 | 0 | 0 | 0 | 112.1 | L417 Y418 H419 L430 V433 T434 M437 L456 R459 M460 L463 | L417-L421 WeakPolarHBondContact O-CB 3.29Å; L417-L421 PolarHBondContact O-N 2.92Å; Y418-L421 HydrophobicContact CD2-CD2 4.43Å; Y418-L421 WeakPolarHBondContact O-CB 3.39Å; Y418-L421 PolarHBondContact O-N 3.17Å; H419-L421 VanDerWaalsContact C-N 3.33Å; H419-L421 PolarHBondContact O-N 3.23Å; L421-L430 HydrophobicContact CD1-CD2 4.36Å; L421-V433 HydrophobicContact CB-CG1 4.1Å; L421-V433 HydrophobicContact CB-CG2 4.24Å; L421-V433 HydrophobicContact CD1-CG1 3.86Å; L421-T434 HydrophobicContact CD1-CG2 3.66Å; L421-M437 HydrophobicContact CD2-CE 4.42Å; L421-M437 HydrophobicContact CD2-CG 4.32Å; L421-L456 HydrophobicContact CD2-CD1 3.47Å; L421-L456 VanDerWaalsContact CD2-CD1 3.47Å; L421-R459 HydrophobicContact CD2-CG 3.8Å; L421-R459 HydrophobicContact CG-CG 3.91Å; L421-R459 VanDerWaalsContact O-CZ 3.29Å; L421-R459 PolarHBondContact O-NE 2.74Å; L421-R459 VanDerWaalsContact O-NE 3.13Å; L421-R459 PolarHBondContact O-NH2 3.48Å; L421-M460 HydrophobicContact CD1-CE 4.49Å; L421-M460 HydrophobicContact CD2-CE 3.99Å; L421-L463 HydrophobicContact CD1-CD1 3.74Å |
| 422 | A | 93.4 | Very high | 93.2 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -77.8 | -31.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y418 H419 I420 R459 | Y418-A422 WeakPolarHBondContact O-CB 3.16Å; Y418-A422 PolarHBondContact O-N 3.2Å; H419-A422 WeakPolarHBondContact O-CB 3.38Å; H419-A422 PolarHBondContact O-N 3.5Å; I420-A422 VanDerWaalsContact C-N 3.25Å; I420-A422 PolarHBondContact O-N 3.08Å; A422-R459 PolarHBondContact O-NH2 3.44Å |
| 423 | T | 91.3 | Very high | 93.4 | Very high | 73 Ų | 73 | 45.6 Ų | 45.6 | 45% | 0.448 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -109.1 | -21.2 | -170.8 | 59.3 | 0 | 0 | 0 | 0 | 115.3 | H419 I420 | H419-T423 PolarHBondContact O-N 3.02Å; H419-T423 PolarHBondContact O-OG1 3.35Å; I420-T423 PolarHBondContact O-N 3Å |
| 424 | S | 90.3 | Very high | 93.7 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | trans | -75.1 | 134.8 | -176.9 | -177.8 | 0 | 0 | 0 | 0 | 112.8 | I420 N426 V429 | I420-S424 WeakPolarHBondContact O-CB 3.13Å; I420-S424 PolarHBondContact O-N 2.77Å; S424-N426 PolarHBondContact OG-N 3.1Å; S424-V429 WeakPolarHBondContact OG-CG1 3.37Å | ||
| 425 | E | 89.3 | Confident | 94.1 | Very high | 180 Ų | 180 | 45 Ų | 45 | 84% | 0.841 | 24% | 0.236 | S | C | * | . | trans | -103.9 | -7.9 | 168.6 | -61.8 | -174.4 | 168 | 0 | 0 | 112.7 | N427 | E425-N427 PolarHBondContact O-N 2.85Š| ||
| 426 | N | 91.3 | Very high | 94.3 | Very high | 83 Ų | 83 | 39.5 Ų | 39.5 | 44% | 0.444 | 21% | 0.212 | S | C | . | . | trans | -75.2 | 122.4 | 179.1 | -179.6 | -58.1 | 0 | 0 | 0 | 110.6 | S424 E428 V429 L430 | S424-N426 PolarHBondContact OG-N 3.1Å; N426-E428 PolarHBondContact O-N 3.35Å; N426-E428 WeakPolarHBondContact OD1-CA 3.25Å; N426-E428 WeakPolarHBondContact OD1-CB 3.38Å; N426-E428 PolarHBondContact OD1-N 3.34Å; N426-V429 HydrophobicContact CB-CB 4.11Å; N426-V429 HydrophobicContact CB-CG2 3.99Å; N426-V429 PolarHBondContact O-N 3.21Å; N426-V429 PolarHBondContact OD1-N 2.74Å; N426-V429 VanDerWaalsContact OD1-N 3.09Å; N426-L430 WeakPolarHBondContact O-CB 3.28Å; N426-L430 WeakPolarHBondContact O-CG 3.32Å; N426-L430 PolarHBondContact O-N 3.18Å | ||
| 427 | N | 94.3 | Very high | 94.5 | Very high | 68 Ų | 68 | 38.9 Ų | 38.9 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.5 | -38.7 | -177.4 | -71 | -9.2 | 0 | 0 | 0 | 113.7 | E425 L430 A431 H466 | E425-N427 PolarHBondContact O-N 2.85Å; N427-L430 PolarHBondContact O-N 3.45Å; N427-A431 VanDerWaalsContact O-CB 3.28Å; N427-A431 WeakPolarHBondContact O-CB 3.48Å; N427-A431 PolarHBondContact O-N 2.88Å; N427-H466 PolarHBondContact OD1-CE1 3.47Å; N427-H466 VanDerWaalsContact OD1-CE1 3.28Å |
| 428 | E | 93.5 | Very high | 94.5 | Very high | 125 Ų | 125 | 39 Ų | 39 | 58% | 0.584 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -66.8 | -44.3 | 179 | -62.8 | -174.8 | 175.6 | 0 | 0 | 110.4 | L388 N426 A431 S432 | L388-E428 HydrophobicContact CD1-CB 4.25Å; L388-E428 VanDerWaalsContact CD1-OE2 3.26Å; L388-E428 WeakPolarHBondContact CD1-OE2 3.41Å; L388-E428 HydrophobicContact CD2-CB 3.88Å; N426-E428 PolarHBondContact O-N 3.35Å; N426-E428 WeakPolarHBondContact OD1-CA 3.25Å; N426-E428 WeakPolarHBondContact OD1-CB 3.38Å; N426-E428 PolarHBondContact OD1-N 3.34Å; E428-A431 PolarHBondContact O-N 3.23Å; E428-S432 PolarHBondContact O-N 3.36Å; E428-S432 PolarHBondContact O-OG 2.75Å |
| 429 | V | 94 | Very high | 94.5 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 6% | 0.055 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.1 | -45.4 | 175.7 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | L387 L388 L391 I420 S424 N426 S432 V433 | L387-V429 HydrophobicContact CD2-CG1 3.91Å; L387-V429 HydrophobicContact CD2-CG2 3.92Å; L388-V429 HydrophobicContact CD2-CG2 3.96Å; L388-V429 HydrophobicContact CG-CG2 4.3Å; L391-V429 HydrophobicContact CD1-CG1 3.91Å; I420-V429 HydrophobicContact CG2-CG1 3.63Å; S424-V429 WeakPolarHBondContact OG-CG1 3.37Å; N426-V429 HydrophobicContact CB-CB 4.11Å; N426-V429 HydrophobicContact CB-CG2 3.99Å; N426-V429 PolarHBondContact O-N 3.21Å; N426-V429 PolarHBondContact OD1-N 2.74Å; N426-V429 VanDerWaalsContact OD1-N 3.09Å; V429-S432 PolarHBondContact O-N 3.37Å; V429-V433 WeakPolarHBondContact O-CG1 3.35Å; V429-V433 PolarHBondContact O-N 3.42Å |
| 430 | L | 95.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 177.1 | -76.8 | 176 | 0 | 0 | 0 | 112 | L421 N426 N427 V433 T434 I471 | L421-L430 HydrophobicContact CD1-CD2 4.36Å; N426-L430 WeakPolarHBondContact O-CB 3.28Å; N426-L430 WeakPolarHBondContact O-CG 3.32Å; N426-L430 PolarHBondContact O-N 3.18Å; N427-L430 PolarHBondContact O-N 3.45Å; L430-V433 HydrophobicContact CD2-CG1 4.48Å; L430-T434 VanDerWaalsContact O-CB 3.31Å; L430-T434 WeakPolarHBondContact O-CB 3.39Å; L430-T434 WeakPolarHBondContact O-CG2 3.16Å; L430-T434 PolarHBondContact O-N 3.25Å; L430-T434 PolarHBondContact O-OG1 3.22Å; L430-I471 HydrophobicContact CB-CD1 3.55Å; L430-I471 HydrophobicContact CB-CG1 4.24Å; L430-I471 HydrophobicContact CD1-CD1 4.33Å |
| 431 | A | 96.7 | Very high | 94.7 | Very high | 20 Ų | 20 | 32.5 Ų | 32.5 | 17% | 0.165 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N427 E428 T434 A435 I471 N474 | N427-A431 VanDerWaalsContact O-CB 3.28Å; N427-A431 WeakPolarHBondContact O-CB 3.48Å; N427-A431 PolarHBondContact O-N 2.88Å; E428-A431 PolarHBondContact O-N 3.23Å; A431-T434 PolarHBondContact O-OG1 3.12Å; A431-T434 VanDerWaalsContact O-OG1 3.09Å; A431-A435 WeakPolarHBondContact O-CB 3.35Å; A431-A435 PolarHBondContact O-N 3.41Å; A431-A435 VanDerWaalsContact O-N 3.17Å; A431-I471 HydrophobicContact CB-CG1 4.08Å; A431-N474 PolarHBondContact O-ND2 2.99Å |
| 432 | S | 95.9 | Very high | 94.7 | Very high | 21 Ų | 21 | 34.5 Ų | 34.5 | 15% | 0.147 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.1 | -49.4 | 177 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | E428 V429 T434 A435 I436 | E428-S432 PolarHBondContact O-N 3.36Å; E428-S432 PolarHBondContact O-OG 2.75Å; V429-S432 PolarHBondContact O-N 3.37Å; S432-T434 PolarHBondContact O-N 3.33Å; S432-A435 PolarHBondContact O-N 2.88Å; S432-I436 WeakPolarHBondContact O-CG1 3.5Å; S432-I436 PolarHBondContact O-N 3.44Å; S432-I436 VanDerWaalsContact O-N 3.08Å |
| 433 | V | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.5 | -37.9 | -176.3 | 74.8 | 0 | 0 | 0 | 0 | 111.8 | L417 I420 L421 V429 L430 A435 I436 M437 | L417-V433 HydrophobicContact CB-CG2 4.23Å; L417-V433 HydrophobicContact CD2-CG2 4.11Å; L417-V433 WeakPolarHBondContact O-CG2 3.38Å; I420-V433 HydrophobicContact CG2-CB 4.4Å; I420-V433 HydrophobicContact CG2-CG2 4.33Å; L421-V433 HydrophobicContact CB-CG1 4.1Å; L421-V433 HydrophobicContact CB-CG2 4.24Å; L421-V433 HydrophobicContact CD1-CG1 3.86Å; V429-V433 WeakPolarHBondContact O-CG1 3.35Å; V429-V433 PolarHBondContact O-N 3.42Å; L430-V433 HydrophobicContact CD2-CG1 4.48Å; V433-A435 VanDerWaalsContact C-N 3.34Å; V433-A435 PolarHBondContact O-N 3.26Å; V433-I436 PolarHBondContact O-N 3.29Å; V433-M437 HydrophobicContact CG2-CE 4.22Å; V433-M437 VanDerWaalsContact O-CG 3.27Å; V433-M437 WeakPolarHBondContact O-CG 3.42Å; V433-M437 PolarHBondContact O-N 3.26Å |
| 434 | T | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -38.7 | 174.9 | 53.3 | 0 | 0 | 0 | 0 | 112 | L421 L430 A431 S432 I436 M437 C438 M460 L463 I471 N474 | L421-T434 HydrophobicContact CD1-CG2 3.66Å; L430-T434 VanDerWaalsContact O-CB 3.31Å; L430-T434 WeakPolarHBondContact O-CB 3.39Å; L430-T434 WeakPolarHBondContact O-CG2 3.16Å; L430-T434 PolarHBondContact O-N 3.25Å; L430-T434 PolarHBondContact O-OG1 3.22Å; A431-T434 PolarHBondContact O-OG1 3.12Å; A431-T434 VanDerWaalsContact O-OG1 3.09Å; S432-T434 PolarHBondContact O-N 3.33Å; T434-I436 VanDerWaalsContact C-N 3.34Å; T434-I436 PolarHBondContact O-N 3.17Å; T434-M437 PolarHBondContact O-N 3.38Å; T434-C438 PolarHBondContact O-N 3.44Å; T434-C438 PolarHBondContact O-SG 3.47Å; T434-M460 HydrophobicContact CG2-CE 4.2Å; T434-M460 HydrophobicContact CG2-SD 4.28Å; T434-L463 HydrophobicContact CG2-CD1 3.75Å; T434-I471 HydrophobicContact CG2-CG2 4.44Å; T434-N474 WeakPolarHBondContact OG1-CB 3.43Å; T434-N474 PolarHBondContact OG1-ND2 3.25Å; T434-N474 VanDerWaalsContact OG1-ND2 3.11Å |
| 435 | A | 97.7 | Very high | 94.2 | Very high | 17 Ų | 17 | 36.5 Ų | 36.5 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.8 | -38.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L395 A431 S432 V433 C438 N474 | L395-A435 HydrophobicContact CD1-CB 3.68Å; L395-A435 HydrophobicContact CD2-CB 4.19Å; A431-A435 WeakPolarHBondContact O-CB 3.35Å; A431-A435 PolarHBondContact O-N 3.41Å; A431-A435 VanDerWaalsContact O-N 3.17Å; S432-A435 PolarHBondContact O-N 2.88Å; V433-A435 VanDerWaalsContact C-N 3.34Å; V433-A435 PolarHBondContact O-N 3.26Å; A435-C438 WeakPolarHBondContact O-CB 3.34Å; A435-C438 PolarHBondContact O-N 3.25Å; A435-N474 PolarHBondContact N-ND2 3.07Å |
| 436 | I | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.1 | -48.7 | 173.7 | -63.9 | 163.3 | 0 | 0 | 0 | 109.7 | L391 L394 L395 F408 L417 S432 V433 T434 C438 N439 L440 | L391-I436 HydrophobicContact CB-CD1 4.3Å; L391-I436 HydrophobicContact CD2-CD1 3.85Å; L394-I436 HydrophobicContact CB-CD1 3.85Å; L395-I436 HydrophobicContact CB-CD1 4.42Å; L395-I436 HydrophobicContact CB-CG1 3.82Å; L395-I436 HydrophobicContact CD1-CG1 4.13Å; F408-I436 HydrophobicContact CE1-CG2 4.22Å; L417-I436 HydrophobicContact CD1-CG2 3.87Å; L417-I436 HydrophobicContact CD2-CD1 4.12Å; S432-I436 WeakPolarHBondContact O-CG1 3.5Å; S432-I436 PolarHBondContact O-N 3.44Å; S432-I436 VanDerWaalsContact O-N 3.08Å; V433-I436 PolarHBondContact O-N 3.29Å; T434-I436 VanDerWaalsContact C-N 3.34Å; T434-I436 PolarHBondContact O-N 3.17Å; I436-C438 VanDerWaalsContact C-N 3.26Å; I436-C438 PolarHBondContact O-N 3.43Å; I436-N439 WeakPolarHBondContact O-CB 3.33Å; I436-N439 PolarHBondContact O-N 3.42Å; I436-L440 HydrophobicContact CG2-CD1 3.92Å; I436-L440 HydrophobicContact CG2-CD2 4.47Å; I436-L440 HydrophobicContact CG2-CG 3.97Å; I436-L440 WeakPolarHBondContact O-CG 3.47Å; I436-L440 PolarHBondContact O-N 3.08Å; I436-L440 VanDerWaalsContact O-N 3.08Å |
| 437 | M | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.5 | -36.3 | -179.1 | -68.3 | -61.2 | 179.4 | 0 | 0 | 112.9 | L417 L421 V433 T434 N439 L440 V441 L451 L456 M460 | L417-M437 HydrophobicContact CB-CE 3.51Å; L417-M437 WeakPolarHBondContact O-CE 3.28Å; L421-M437 HydrophobicContact CD2-CE 4.42Å; L421-M437 HydrophobicContact CD2-CG 4.32Å; V433-M437 HydrophobicContact CG2-CE 4.22Å; V433-M437 VanDerWaalsContact O-CG 3.27Å; V433-M437 WeakPolarHBondContact O-CG 3.42Å; V433-M437 PolarHBondContact O-N 3.26Å; T434-M437 PolarHBondContact O-N 3.38Å; M437-N439 PolarHBondContact O-N 3.23Å; M437-L440 PolarHBondContact O-N 2.95Å; M437-L440 VanDerWaalsContact O-N 3.15Å; M437-L440 HydrophobicContact SD-CD1 4.26Å; M437-V441 WeakPolarHBondContact O-CG2 3.45Å; M437-V441 PolarHBondContact O-N 2.94Å; M437-L451 HydrophobicContact CE-CD2 4.28Å; M437-L451 HydrophobicContact SD-CD1 4.16Å; M437-L451 HydrophobicContact SD-CD2 3.92Å; M437-L456 HydrophobicContact CB-CD1 4.49Å; M437-L456 HydrophobicContact CG-CD1 4.22Å; M437-L456 HydrophobicContact SD-CD1 4.25Å; M437-L456 HydrophobicContact SD-CD2 4.38Å; M437-M460 HydrophobicContact CB-CE 3.31Å; M437-M460 HydrophobicContact CG-CE 3.77Å |
| 438 | C | 96.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -51.4 | -42.5 | 172.9 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | T434 A435 I436 N474 N481 | T434-C438 PolarHBondContact O-N 3.44Å; T434-C438 PolarHBondContact O-SG 3.47Å; A435-C438 WeakPolarHBondContact O-CB 3.34Å; A435-C438 PolarHBondContact O-N 3.25Å; I436-C438 VanDerWaalsContact C-N 3.26Å; I436-C438 PolarHBondContact O-N 3.43Å; C438-N474 PolarHBondContact SG-O 3.34Å; C438-N481 PolarHBondContact O-ND2 3.23Å |
| 439 | N | 95.3 | Very high | 94.2 | Very high | 26 Ų | 26 | 23.2 Ų | 23.2 | 14% | 0.139 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -78.6 | -35.3 | -178.7 | -63.9 | -23.5 | 0 | 0 | 0 | 111.7 | S398 I436 M437 V441 L442 | S398-N439 WeakPolarHBondContact O-CB 3.48Å; S398-N439 PolarHBondContact OG-ND2 3.37Å; I436-N439 WeakPolarHBondContact O-CB 3.33Å; I436-N439 PolarHBondContact O-N 3.42Å; M437-N439 PolarHBondContact O-N 3.23Å; N439-V441 VanDerWaalsContact C-N 3.26Å; N439-V441 PolarHBondContact O-N 3Å; N439-L442 WeakPolarHBondContact O-CD1 3.48Å; N439-L442 WeakPolarHBondContact O-CG 3.3Å; N439-L442 PolarHBondContact O-N 3.23Å |
| 440 | L | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.4 | -19.2 | -179.2 | -62.7 | -166.8 | 0 | 0 | 0 | 114.1 | L404 F408 F414 L417 I436 M437 S445 C447 L451 | L404-L440 HydrophobicContact CD2-CD2 3.45Å; L404-L440 VanDerWaalsContact CD2-CD2 3.45Å; F408-L440 HydrophobicContact CB-CD2 4.04Å; F408-L440 HydrophobicContact CD1-CD1 4.02Å; F408-L440 HydrophobicContact CD1-CD2 3.48Å; F408-L440 VanDerWaalsContact CD1-CD2 3.48Å; F408-L440 HydrophobicContact CD1-CG 4.39Å; F408-L440 HydrophobicContact CD2-CD2 4.12Å; F408-L440 HydrophobicContact CE1-CD1 4.33Å; F408-L440 HydrophobicContact CE1-CD2 3.89Å; F408-L440 HydrophobicContact CE2-CD2 4.49Å; F408-L440 HydrophobicContact CG-CD2 3.61Å; F408-L440 HydrophobicContact CZ-CD2 4.39Å; F414-L440 HydrophobicContact CB-CD1 4.46Å; L417-L440 HydrophobicContact CD1-CD1 3.99Å; I436-L440 HydrophobicContact CG2-CD1 3.92Å; I436-L440 HydrophobicContact CG2-CD2 4.47Å; I436-L440 HydrophobicContact CG2-CG 3.97Å; I436-L440 WeakPolarHBondContact O-CG 3.47Å; I436-L440 PolarHBondContact O-N 3.08Å; I436-L440 VanDerWaalsContact O-N 3.08Å; M437-L440 PolarHBondContact O-N 2.95Å; M437-L440 VanDerWaalsContact O-N 3.15Å; M437-L440 HydrophobicContact SD-CD1 4.26Å; L440-S445 WeakPolarHBondContact O-CB 3.36Å; L440-S445 PolarHBondContact O-OG 3.16Å; L440-C447 PolarHBondContact O-SG 3.33Å; L440-L451 HydrophobicContact CB-CD1 3.69Å; L440-L451 HydrophobicContact CD1-CD1 4.31Å |
| 441 | V | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 11 | 179 | -59.4 | 0 | 0 | 0 | 0 | 114.4 | M437 N439 K448 L451 L456 A478 N481 | M437-V441 WeakPolarHBondContact O-CG2 3.45Å; M437-V441 PolarHBondContact O-N 2.94Å; N439-V441 VanDerWaalsContact C-N 3.26Å; N439-V441 PolarHBondContact O-N 3Å; V441-K448 WeakPolarHBondContact O-CD 3.37Å; V441-L451 HydrophobicContact CG1-CD1 4.11Å; V441-L456 HydrophobicContact CG1-CD2 3.27Å; V441-A478 HydrophobicContact CG2-CB 4.29Å; V441-A478 WeakPolarHBondContact CG2-O 3.28Å; V441-N481 HydrophobicContact CG2-CB 3.74Å |
| 442 | L | 93.5 | Very high | 94 | Very high | 43 Ų | 43 | 23.6 Ų | 23.6 | 23% | 0.225 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -60.6 | 148 | 171 | -69.3 | 170.2 | 0 | 0 | 0 | 110.6 | N439 F444 S445 N481 | N439-L442 WeakPolarHBondContact O-CD1 3.48Å; N439-L442 WeakPolarHBondContact O-CG 3.3Å; N439-L442 PolarHBondContact O-N 3.23Å; L442-F444 HydrophobicContact CB-CE1 4.17Å; L442-F444 HydrophobicContact CB-CE2 4.09Å; L442-F444 HydrophobicContact CB-CZ 3.93Å; L442-F444 HydrophobicContact CD1-CE1 4.47Å; L442-F444 HydrophobicContact CD1-CE2 4.08Å; L442-F444 HydrophobicContact CD1-CZ 3.67Å; L442-F444 HydrophobicContact CG-CZ 4.35Å; L442-F444 PolarHBondContact O-N 2.98Å; L442-S445 VanDerWaalsContact O-CB 3.23Å; L442-S445 WeakPolarHBondContact O-CB 3.43Å; L442-S445 PolarHBondContact O-N 3.25Å; L442-N481 HydrophobicContact CD2-CB 4.29Å |
| 443 | G | 87.5 | Confident | 93.9 | Very high | 60 Ų | 60 | 30.4 Ų | 30.4 | 62% | 0.619 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -14 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 444 | F | 87.5 | Confident | 93.7 | Very high | 97 Ų | 97 | 32.5 Ų | 32.5 | 43% | 0.425 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 3.4 | 176.2 | 50.9 | -103.3 | 0 | 0 | 0 | 113.7 | V401 L404 L442 | V401-F444 HydrophobicContact CB-CE2 4.42Å; V401-F444 HydrophobicContact CG1-CD2 4.06Å; V401-F444 HydrophobicContact CG1-CE2 4.16Å; V401-F444 HydrophobicContact CG2-CD2 4.47Å; V401-F444 HydrophobicContact CG2-CE2 3.78Å; V401-F444 HydrophobicContact CG2-CZ 4.08Å; L404-F444 HydrophobicContact CD1-CD2 4.23Å; L404-F444 HydrophobicContact CD1-CE2 3.68Å; L442-F444 HydrophobicContact CB-CE1 4.17Å; L442-F444 HydrophobicContact CB-CE2 4.09Å; L442-F444 HydrophobicContact CB-CZ 3.93Å; L442-F444 HydrophobicContact CD1-CE1 4.47Å; L442-F444 HydrophobicContact CD1-CE2 4.08Å; L442-F444 HydrophobicContact CD1-CZ 3.67Å; L442-F444 HydrophobicContact CG-CZ 4.35Å; L442-F444 PolarHBondContact O-N 2.98Å |
| 445 | S | 91.3 | Very high | 93.6 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | trans | -81.6 | 129.2 | 179 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | L440 L442 C447 K448 | L440-S445 WeakPolarHBondContact O-CB 3.36Å; L440-S445 PolarHBondContact O-OG 3.16Å; L442-S445 VanDerWaalsContact O-CB 3.23Å; L442-S445 WeakPolarHBondContact O-CB 3.43Å; L442-S445 PolarHBondContact O-N 3.25Å; S445-C447 VanDerWaalsContact C-N 3.25Å; S445-C447 PolarHBondContact O-N 3.47Å; S445-C447 PolarHBondContact OG-SG 3.31Å; S445-K448 PolarHBondContact O-N 3Å | ||
| 446 | P | 90.4 | Very high | 93.6 | Very high | 60 Ų | 60 | 32.5 Ų | 32.5 | 39% | 0.39 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -20.9 | -178.4 | 28.5 | -34.5 | 0 | 0 | 0 | 113.5 | L404 F409 | L404-P446 VanDerWaalsContact O-CD 3.31Å; L404-P446 WeakPolarHBondContact O-CD 3.45Å; L404-P446 WeakPolarHBondContact O-CG 3.37Å; F409-P446 HydrophobicContact CD2-CB 3.92Å; F409-P446 HydrophobicContact CD2-CG 3.95Å; F409-P446 HydrophobicContact CE2-CB 4.26Å |
| 447 | C | 91.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.034 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -1.9 | -178.6 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | F414 L440 S445 D449 G450 L451 | F414-C447 HydrophobicContact CB-CB 4.29Å; F414-C447 HydrophobicContact CD1-CB 3.72Å; F414-C447 HydrophobicContact CE1-CB 4.26Å; F414-C447 HydrophobicContact CG-CB 4.11Å; L440-C447 PolarHBondContact O-SG 3.33Å; S445-C447 VanDerWaalsContact C-N 3.25Å; S445-C447 PolarHBondContact O-N 3.47Å; S445-C447 PolarHBondContact OG-SG 3.31Å; C447-D449 PolarHBondContact O-N 2.92Å; C447-G450 PolarHBondContact O-N 3.37Å; C447-L451 HydrophobicContact CB-CD1 4.49Å; C447-L451 WeakPolarHBondContact O-CB 3.41Å; C447-L451 WeakPolarHBondContact O-CG 3.46Å; C447-L451 PolarHBondContact O-N 3Å |
| 448 | K | 92.9 | Very high | 93.6 | Very high | 18 Ų | 18 | 36.7 Ų | 36.7 | 8% | 0.078 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.6 | -53 | -177 | 178.4 | 177.1 | 178.6 | 164.4 | 0 | 112.1 | V441 S445 L451 I452 N481 C482 | V441-K448 WeakPolarHBondContact O-CD 3.37Å; S445-K448 PolarHBondContact O-N 3Å; K448-L451 PolarHBondContact O-N 2.98Å; K448-I452 HydrophobicContact CG-CD1 3.94Å; K448-I452 WeakPolarHBondContact O-CG1 3.4Å; K448-I452 PolarHBondContact O-N 3.29Å; K448-N481 PolarHBondContact NZ-O 3.49Å; K448-C482 PolarHBondContact NZ-O 3.43Å |
| 449 | D | 92.2 | Very high | 93.7 | Very high | 95 Ų | 95 | 39.6 Ų | 39.6 | 51% | 0.508 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66 | -42.5 | -175.6 | -65.1 | -33.1 | 0 | 0 | 0 | 111.5 | C447 L451 I452 E453 | C447-D449 PolarHBondContact O-N 2.92Å; D449-L451 VanDerWaalsContact C-N 3.3Å; D449-L451 PolarHBondContact O-N 3.46Å; D449-I452 PolarHBondContact O-N 2.86Å; D449-I452 VanDerWaalsContact O-N 3.16Å; D449-E453 WeakPolarHBondContact O-CG 3.42Å; D449-E453 PolarHBondContact O-N 3.25Å |
| 450 | G | 92.8 | Very high | 93.8 | Very high | 23 Ų | 23 | 38.4 Ų | 38.4 | 24% | 0.237 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.7 | -34 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | C447 A454 | C447-G450 PolarHBondContact O-N 3.37Å; G450-A454 WeakPolarHBondContact O-CB 3.48Å; G450-A454 PolarHBondContact O-N 3.39Å |
| 451 | L | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.8 | -39.3 | 173.7 | -76.8 | 168.9 | 0 | 0 | 0 | 112.3 | F414 M437 L440 V441 C447 K448 D449 A454 G455 L456 | F414-L451 HydrophobicContact CB-CD2 4.22Å; F414-L451 HydrophobicContact CB-CG 4.45Å; F414-L451 HydrophobicContact CD2-CD2 3.86Å; F414-L451 HydrophobicContact CD2-CG 4.09Å; F414-L451 HydrophobicContact CG-CD2 4.42Å; F414-L451 HydrophobicContact CG-CG 4.47Å; M437-L451 HydrophobicContact CE-CD2 4.28Å; M437-L451 HydrophobicContact SD-CD1 4.16Å; M437-L451 HydrophobicContact SD-CD2 3.92Å; L440-L451 HydrophobicContact CB-CD1 3.69Å; L440-L451 HydrophobicContact CD1-CD1 4.31Å; V441-L451 HydrophobicContact CG1-CD1 4.11Å; C447-L451 HydrophobicContact CB-CD1 4.49Å; C447-L451 WeakPolarHBondContact O-CB 3.41Å; C447-L451 WeakPolarHBondContact O-CG 3.46Å; C447-L451 PolarHBondContact O-N 3Å; K448-L451 PolarHBondContact O-N 2.98Å; D449-L451 VanDerWaalsContact C-N 3.3Å; D449-L451 PolarHBondContact O-N 3.46Å; L451-A454 PolarHBondContact O-N 3.48Å; L451-G455 PolarHBondContact O-N 2.93Å; L451-L456 HydrophobicContact CB-CB 4.24Å; L451-L456 HydrophobicContact CB-CD2 3.75Å; L451-L456 HydrophobicContact CD1-CD2 4.15Å; L451-L456 HydrophobicContact CD2-CD2 4.34Å; L451-L456 HydrophobicContact CG-CD2 4.31Å; L451-L456 WeakPolarHBondContact O-CB 3.37Å; L451-L456 PolarHBondContact O-N 3.08Å; L451-L456 VanDerWaalsContact O-N 3.07Å |
| 452 | I | 95 | Very high | 93.8 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 10% | 0.103 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 174.2 | -70.1 | 172.6 | 0 | 0 | 0 | 109.8 | K448 D449 A454 G455 I457 V490 I493 | K448-I452 HydrophobicContact CG-CD1 3.94Å; K448-I452 WeakPolarHBondContact O-CG1 3.4Å; K448-I452 PolarHBondContact O-N 3.29Å; D449-I452 PolarHBondContact O-N 2.86Å; D449-I452 VanDerWaalsContact O-N 3.16Å; I452-A454 VanDerWaalsContact C-N 3.26Å; I452-A454 PolarHBondContact O-N 2.95Å; I452-G455 PolarHBondContact O-N 3.41Å; I452-I457 HydrophobicContact CD1-CD1 4.44Å; I452-I457 HydrophobicContact CG1-CD1 4.05Å; I452-I457 HydrophobicContact CG1-CG1 4.41Å; I452-I457 HydrophobicContact CG2-CD1 3.96Å; I452-V490 HydrophobicContact CD1-CG1 4.03Å; I452-V490 HydrophobicContact CD1-CG2 4.25Å; I452-I493 HydrophobicContact CG2-CD1 4.43Å |
| 453 | E | 93.6 | Very high | 94 | Very high | 163 Ų | 163 | 44 Ų | 44 | 76% | 0.762 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62 | -32 | 177.5 | -72.3 | 176.5 | -179.5 | 0 | 0 | 112.9 | D449 G455 | D449-E453 WeakPolarHBondContact O-CG 3.42Å; D449-E453 PolarHBondContact O-N 3.25Å; E453-G455 PolarHBondContact O-N 2.94Å |
| 454 | A | 93.5 | Very high | 94.3 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -8.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y418 G450 L451 I452 | Y418-A454 HydrophobicContact CD1-CB 4.34Å; Y418-A454 HydrophobicContact CD2-CB 4.41Å; Y418-A454 HydrophobicContact CE1-CB 4.35Å; Y418-A454 HydrophobicContact CE2-CB 4.41Å; Y418-A454 HydrophobicContact CG-CB 4.39Å; Y418-A454 PolarHBondContact OH-O 3.37Å; G450-A454 WeakPolarHBondContact O-CB 3.48Å; G450-A454 PolarHBondContact O-N 3.39Å; L451-A454 PolarHBondContact O-N 3.48Å; I452-A454 VanDerWaalsContact C-N 3.26Å; I452-A454 PolarHBondContact O-N 2.95Å |
| 455 | G | 95.7 | Very high | 94.5 | Very high | 17 Ų | 17 | 41.1 Ų | 41.1 | 18% | 0.175 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 32.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y418 L451 I452 E453 I457 E458 R459 | Y418-G455 PolarHBondContact OH-O 3.21Å; L451-G455 PolarHBondContact O-N 2.93Å; I452-G455 PolarHBondContact O-N 3.41Å; E453-G455 PolarHBondContact O-N 2.94Å; G455-I457 VanDerWaalsContact C-N 3.34Å; G455-E458 VanDerWaalsContact CA-OE2 3.28Å; G455-E458 WeakPolarHBondContact CA-OE2 3.43Å; G455-R459 PolarHBondContact O-N 3.28Å |
| 456 | L | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -37.3 | 176.9 | -178.5 | 64.9 | 0 | 0 | 0 | 112.5 | Y418 L421 M437 V441 L451 R459 M460 | Y418-L456 HydrophobicContact CD2-CD1 4.3Å; Y418-L456 HydrophobicContact CE2-CB 4.36Å; Y418-L456 HydrophobicContact CE2-CD1 4.44Å; L421-L456 HydrophobicContact CD2-CD1 3.47Å; L421-L456 VanDerWaalsContact CD2-CD1 3.47Å; M437-L456 HydrophobicContact CB-CD1 4.49Å; M437-L456 HydrophobicContact CG-CD1 4.22Å; M437-L456 HydrophobicContact SD-CD1 4.25Å; M437-L456 HydrophobicContact SD-CD2 4.38Å; V441-L456 HydrophobicContact CG1-CD2 3.27Å; L451-L456 HydrophobicContact CB-CB 4.24Å; L451-L456 HydrophobicContact CB-CD2 3.75Å; L451-L456 HydrophobicContact CD1-CD2 4.15Å; L451-L456 HydrophobicContact CD2-CD2 4.34Å; L451-L456 HydrophobicContact CG-CD2 4.31Å; L451-L456 WeakPolarHBondContact O-CB 3.37Å; L451-L456 PolarHBondContact O-N 3.08Å; L451-L456 VanDerWaalsContact O-N 3.07Å; L456-R459 PolarHBondContact O-N 2.95Å; L456-M460 HydrophobicContact CD1-CE 3.67Å; L456-M460 HydrophobicContact CD1-CG 3.94Å; L456-M460 HydrophobicContact CG-CE 4.48Å; L456-M460 HydrophobicContact CG-CG 4.11Å; L456-M460 WeakPolarHBondContact O-CB 3.49Å; L456-M460 VanDerWaalsContact O-CG 3.3Å; L456-M460 WeakPolarHBondContact O-CG 3.46Å; L456-M460 PolarHBondContact O-N 3.36Å |
| 457 | I | 97.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.8 | -47.9 | -177.1 | -69.1 | 172.5 | 0 | 0 | 0 | 110.5 | I452 G455 R459 M460 S461 L479 V490 I493 V494 A497 | I452-I457 HydrophobicContact CD1-CD1 4.44Å; I452-I457 HydrophobicContact CG1-CD1 4.05Å; I452-I457 HydrophobicContact CG1-CG1 4.41Å; I452-I457 HydrophobicContact CG2-CD1 3.96Å; G455-I457 VanDerWaalsContact C-N 3.34Å; I457-R459 VanDerWaalsContact C-N 3.32Å; I457-R459 PolarHBondContact O-N 2.92Å; I457-M460 PolarHBondContact O-N 3.02Å; I457-S461 PolarHBondContact O-N 2.91Å; I457-L479 HydrophobicContact CB-CD2 4.32Å; I457-L479 HydrophobicContact CG2-CD2 3.8Å; I457-V490 HydrophobicContact CD1-CG1 4.49Å; I457-I493 HydrophobicContact CB-CG2 4.26Å; I457-I493 HydrophobicContact CD1-CB 4.18Å; I457-I493 HydrophobicContact CD1-CG2 3.7Å; I457-I493 HydrophobicContact CG2-CG2 4.06Å; I457-V494 HydrophobicContact CD1-CG2 3.79Å; I457-V494 HydrophobicContact CG1-CG2 4.31Å; I457-V494 HydrophobicContact CG2-CG2 4.12Å; I457-A497 HydrophobicContact CG2-CB 3.53Å |
| 458 | E | 97.2 | Very high | 94.9 | Very high | 87 Ų | 87 | 49.4 Ų | 49.4 | 41% | 0.407 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 178.5 | -64.7 | 75.8 | -169.4 | 0 | 0 | 111 | G455 K462 | G455-E458 VanDerWaalsContact CA-OE2 3.28Å; G455-E458 WeakPolarHBondContact CA-OE2 3.43Å; E458-K462 WeakPolarHBondContact O-CG 3.44Å; E458-K462 PolarHBondContact O-N 3.41Å |
| 459 | R | 96.9 | Very high | 94.9 | Very high | 63 Ų | 63 | 51.8 Ų | 51.8 | 24% | 0.238 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.9 | -46 | 176.9 | -176.2 | 59.5 | 178 | -171.5 | 3.4 | 111.4 | L421 A422 G455 L456 I457 K462 L463 | L421-R459 HydrophobicContact CD2-CG 3.8Å; L421-R459 HydrophobicContact CG-CG 3.91Å; L421-R459 VanDerWaalsContact O-CZ 3.29Å; L421-R459 PolarHBondContact O-NE 2.74Å; L421-R459 VanDerWaalsContact O-NE 3.13Å; L421-R459 PolarHBondContact O-NH2 3.48Å; A422-R459 PolarHBondContact O-NH2 3.44Å; G455-R459 PolarHBondContact O-N 3.28Å; L456-R459 PolarHBondContact O-N 2.95Å; I457-R459 VanDerWaalsContact C-N 3.32Å; I457-R459 PolarHBondContact O-N 2.92Å; R459-K462 PolarHBondContact O-N 2.69Å; R459-L463 PolarHBondContact O-N 3.31Å |
| 460 | M | 97.4 | Very high | 95 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 177.8 | -71.9 | -62.5 | -178.2 | 0 | 0 | 111.7 | L421 T434 M437 L456 I457 K462 L463 I464 A475 A478 L479 | L421-M460 HydrophobicContact CD1-CE 4.49Å; L421-M460 HydrophobicContact CD2-CE 3.99Å; T434-M460 HydrophobicContact CG2-CE 4.2Å; T434-M460 HydrophobicContact CG2-SD 4.28Å; M437-M460 HydrophobicContact CB-CE 3.31Å; M437-M460 HydrophobicContact CG-CE 3.77Å; L456-M460 HydrophobicContact CD1-CE 3.67Å; L456-M460 HydrophobicContact CD1-CG 3.94Å; L456-M460 HydrophobicContact CG-CE 4.48Å; L456-M460 HydrophobicContact CG-CG 4.11Å; L456-M460 WeakPolarHBondContact O-CB 3.49Å; L456-M460 VanDerWaalsContact O-CG 3.3Å; L456-M460 WeakPolarHBondContact O-CG 3.46Å; L456-M460 PolarHBondContact O-N 3.36Å; I457-M460 PolarHBondContact O-N 3.02Å; M460-K462 VanDerWaalsContact C-N 3.28Å; M460-K462 PolarHBondContact O-N 3.48Å; M460-L463 PolarHBondContact O-N 3.31Å; M460-L463 HydrophobicContact SD-CD1 4.29Å; M460-I464 PolarHBondContact O-N 3.29Å; M460-A475 WeakPolarHBondContact O-CB 3.13Å; M460-A475 HydrophobicContact SD-CB 4.12Å; M460-A478 HydrophobicContact CE-CB 4.03Å; M460-A478 HydrophobicContact CG-CB 4.03Å; M460-A478 HydrophobicContact SD-CB 4.08Å; M460-L479 HydrophobicContact CB-CD2 3.95Å; M460-L479 HydrophobicContact CB-CG 3.98Å |
| 461 | S | 96.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58 | -40.5 | 176.4 | -178.3 | 0 | 0 | 0 | 0 | 112.7 | I457 L463 I464 A497 R502 | I457-S461 PolarHBondContact O-N 2.91Å; S461-L463 VanDerWaalsContact C-N 3.29Å; S461-L463 PolarHBondContact O-N 2.77Å; S461-I464 WeakPolarHBondContact O-CB 3.47Å; S461-I464 WeakPolarHBondContact O-CG1 3.32Å; S461-I464 PolarHBondContact O-N 3.39Å; S461-A497 WeakPolarHBondContact CB-O 3.3Å; S461-A497 PolarHBondContact OG-O 3.25Å; S461-R502 PolarHBondContact O-NE 3.2Å; S461-R502 PolarHBondContact O-NH2 2.9Å |
| 462 | K | 95.5 | Very high | 95.3 | Very high | 144 Ų | 144 | 50.3 Ų | 50.3 | 63% | 0.626 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.2 | -35.2 | 175.4 | -70.4 | 175.1 | -178 | 178.6 | 0 | 112.6 | E458 R459 M460 I464 D465 | E458-K462 WeakPolarHBondContact O-CG 3.44Å; E458-K462 PolarHBondContact O-N 3.41Å; R459-K462 PolarHBondContact O-N 2.69Å; M460-K462 VanDerWaalsContact C-N 3.28Å; M460-K462 PolarHBondContact O-N 3.48Å; K462-I464 VanDerWaalsContact C-N 3.26Å; K462-I464 PolarHBondContact O-N 2.91Å; K462-D465 PolarHBondContact O-N 3.35Å |
| 463 | L | 96.2 | Very high | 95.4 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -75 | -9 | -178.4 | -68 | 175.7 | 0 | 0 | 0 | 114.3 | L421 T434 R459 M460 S461 D465 H466 I471 A475 | L421-L463 HydrophobicContact CD1-CD1 3.74Å; T434-L463 HydrophobicContact CG2-CD1 3.75Å; R459-L463 PolarHBondContact O-N 3.31Å; M460-L463 PolarHBondContact O-N 3.31Å; M460-L463 HydrophobicContact SD-CD1 4.29Å; S461-L463 VanDerWaalsContact C-N 3.29Å; S461-L463 PolarHBondContact O-N 2.77Å; L463-D465 PolarHBondContact O-N 3.27Å; L463-H466 WeakPolarHBondContact O-CB 3.37Å; L463-H466 PolarHBondContact O-N 3.22Å; L463-H466 VanDerWaalsContact O-N 3.13Å; L463-I471 HydrophobicContact CB-CG2 4.12Å; L463-I471 HydrophobicContact CD1-CG2 4.43Å; L463-I471 HydrophobicContact CD2-CG2 4.17Å; L463-I471 HydrophobicContact CG-CG2 4.48Å; L463-A475 HydrophobicContact CB-CB 3.73Å |
| 464 | I | 93.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -28.4 | 171.4 | -58.8 | 177.1 | 0 | 0 | 0 | 111.3 | M460 S461 K462 H466 K472 A475 V476 L479 C498 A506 | M460-I464 PolarHBondContact O-N 3.29Å; S461-I464 WeakPolarHBondContact O-CB 3.47Å; S461-I464 WeakPolarHBondContact O-CG1 3.32Å; S461-I464 PolarHBondContact O-N 3.39Å; K462-I464 VanDerWaalsContact C-N 3.26Å; K462-I464 PolarHBondContact O-N 2.91Å; I464-H466 VanDerWaalsContact C-N 3.32Å; I464-K472 WeakPolarHBondContact O-CD 3.38Å; I464-K472 VanDerWaalsContact O-CE 3.31Å; I464-K472 WeakPolarHBondContact O-CE 3.48Å; I464-K472 VanDerWaalsContact O-CG 3.29Å; I464-K472 WeakPolarHBondContact O-CG 3.44Å; I464-A475 HydrophobicContact CG1-CB 4.43Å; I464-V476 HydrophobicContact CD1-CG2 4.1Å; I464-V476 HydrophobicContact CG1-CG2 3.84Å; I464-V476 HydrophobicContact CG2-CG2 4.2Å; I464-L479 HydrophobicContact CD1-CD1 3.71Å; I464-L479 HydrophobicContact CG1-CD1 4.42Å; I464-C498 HydrophobicContact CD1-CB 4.45Å; I464-C498 WeakPolarHBondContact CD1-SG 3.46Å; I464-A506 HydrophobicContact CG2-CB 4.5Å |
| 465 | D | 91.9 | Very high | 95.8 | Very high | 92 Ų | 92 | 42.6 Ų | 42.6 | 49% | 0.492 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -1.3 | -179.9 | -57.3 | -21.8 | 0 | 0 | 0 | 112.5 | K462 L463 R502 | K462-D465 PolarHBondContact O-N 3.35Å; L463-D465 PolarHBondContact O-N 3.27Å; D465-R502 IonicContact OD1-CZ 3.65Å; D465-R502 IonicContact OD1-NH1 3.53Å; D465-R502 IonicContact OD1-NH2 2.64Å; D465-R502 PolarHBondContact OD1-NH2 3.49Å; D465-R502 IonicContact OD2-CZ 2.81Å; D465-R502 IonicContact OD2-NH1 2.91Å; D465-R502 PolarHBondContact OD2-NH1 3.09Å; D465-R502 IonicContact OD2-NH2 3.67Å; D465-R502 PolarHBondContact OD2-NH2 3.36Å |
| 466 | H | 94.7 | Very high | 95.9 | Very high | 36 Ų | 36 | 41.8 Ų | 41.8 | 17% | 0.167 | 22% | 0.221 | C | C | . | . | trans | -64 | 139.5 | -174.9 | -164.6 | -73.6 | 0 | 0 | 0 | 112.2 | N427 L463 I464 E468 I471 K472 | N427-H466 PolarHBondContact OD1-CE1 3.47Å; N427-H466 VanDerWaalsContact OD1-CE1 3.28Å; L463-H466 WeakPolarHBondContact O-CB 3.37Å; L463-H466 PolarHBondContact O-N 3.22Å; L463-H466 VanDerWaalsContact O-N 3.13Å; I464-H466 VanDerWaalsContact C-N 3.32Å; H466-E468 WeakPolarHBondContact ND1-CB 3.12Å; H466-E468 PolarHBondContact ND1-N 3.46Å; H466-E468 VanDerWaalsContact ND1-N 3.12Å; H466-E468 PolarHBondContact O-N 3.16Å; H466-I471 HydrophobicContact CB-CB 4.33Å; H466-I471 HydrophobicContact CB-CG2 3.84Å; H466-K472 WeakPolarHBondContact O-CD 3.43Å; H466-K472 WeakPolarHBondContact O-CE 3.38Å; H466-K472 WeakPolarHBondContact O-CG 3.31Å | ||
| 467 | T | 93.3 | Very high | 95.9 | Very high | 128 Ų | 128 | 45.7 Ų | 45.7 | 79% | 0.785 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -61.4 | -14.2 | -178 | 52.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 468 | E | 93.4 | Very high | 95.9 | Very high | 83 Ų | 83 | 45.7 Ų | 45.7 | 39% | 0.388 | 24% | 0.236 | S | C | . | . | trans | -101.4 | 122 | -170.5 | -170.3 | 66 | -156.1 | 0 | 0 | 109.5 | H466 S470 I471 K472 | H466-E468 WeakPolarHBondContact ND1-CB 3.12Å; H466-E468 PolarHBondContact ND1-N 3.46Å; H466-E468 VanDerWaalsContact ND1-N 3.12Å; H466-E468 PolarHBondContact O-N 3.16Å; E468-S470 VanDerWaalsContact C-N 3.29Å; E468-S470 WeakPolarHBondContact CG-OG 3.22Å; E468-S470 PolarHBondContact O-N 3.1Å; E468-I471 HydrophobicContact CB-CB 4.3Å; E468-I471 HydrophobicContact CB-CD1 3.93Å; E468-I471 HydrophobicContact CB-CG1 4.19Å; E468-I471 HydrophobicContact CG-CD1 4.25Å; E468-I471 HydrophobicContact CG-CG1 4.31Å; E468-I471 PolarHBondContact O-N 3.23Å; E468-K472 PolarHBondContact O-N 3.31Å; E468-K472 VanDerWaalsContact O-N 3.08Å | ||
| 469 | A | 92.3 | Very high | 95.9 | Very high | 68 Ų | 68 | 41.6 Ų | 41.6 | 56% | 0.562 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -62.1 | -35.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L473 | A469-L473 VanDerWaalsContact O-CB 3.29Å; A469-L473 WeakPolarHBondContact O-CB 3.1Å; A469-L473 PolarHBondContact O-N 3.19Å |
| 470 | S | 95.2 | Very high | 95.9 | Very high | 47 Ų | 47 | 39.4 Ų | 39.4 | 33% | 0.329 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.3 | -42.5 | 178.7 | 59.8 | 0 | 0 | 0 | 0 | 112 | E468 L473 N474 | E468-S470 VanDerWaalsContact C-N 3.29Å; E468-S470 WeakPolarHBondContact CG-OG 3.22Å; E468-S470 PolarHBondContact O-N 3.1Å; S470-L473 PolarHBondContact O-N 3.31Å; S470-N474 WeakPolarHBondContact O-CB 3.26Å; S470-N474 PolarHBondContact O-N 3.25Å; S470-N474 PolarHBondContact O-ND2 3.27Å |
| 471 | I | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.1 | -46.7 | 176.6 | -64.9 | 172.8 | 0 | 0 | 0 | 110.2 | L430 A431 T434 L463 H466 E468 L473 N474 A475 | L430-I471 HydrophobicContact CB-CD1 3.55Å; L430-I471 HydrophobicContact CB-CG1 4.24Å; L430-I471 HydrophobicContact CD1-CD1 4.33Å; A431-I471 HydrophobicContact CB-CG1 4.08Å; T434-I471 HydrophobicContact CG2-CG2 4.44Å; L463-I471 HydrophobicContact CB-CG2 4.12Å; L463-I471 HydrophobicContact CD1-CG2 4.43Å; L463-I471 HydrophobicContact CD2-CG2 4.17Å; L463-I471 HydrophobicContact CG-CG2 4.48Å; H466-I471 HydrophobicContact CB-CB 4.33Å; H466-I471 HydrophobicContact CB-CG2 3.84Å; E468-I471 HydrophobicContact CB-CB 4.3Å; E468-I471 HydrophobicContact CB-CD1 3.93Å; E468-I471 HydrophobicContact CB-CG1 4.19Å; E468-I471 HydrophobicContact CG-CD1 4.25Å; E468-I471 HydrophobicContact CG-CG1 4.31Å; E468-I471 PolarHBondContact O-N 3.23Å; I471-L473 VanDerWaalsContact C-N 3.32Å; I471-L473 PolarHBondContact O-N 3.08Å; I471-N474 PolarHBondContact O-N 3.45Å; I471-A475 VanDerWaalsContact O-CB 3.29Å; I471-A475 WeakPolarHBondContact O-CB 3.45Å; I471-A475 PolarHBondContact O-N 2.96Å |
| 472 | K | 96 | Very high | 95.9 | Very high | 40 Ų | 40 | 39.9 Ų | 39.9 | 17% | 0.174 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.5 | -48.9 | 174.9 | -66.7 | -163.8 | -179.7 | -163.6 | 0 | 111.2 | I464 H466 E468 N474 A475 V476 V516 | I464-K472 WeakPolarHBondContact O-CD 3.38Å; I464-K472 VanDerWaalsContact O-CE 3.31Å; I464-K472 WeakPolarHBondContact O-CE 3.48Å; I464-K472 VanDerWaalsContact O-CG 3.29Å; I464-K472 WeakPolarHBondContact O-CG 3.44Å; H466-K472 WeakPolarHBondContact O-CD 3.43Å; H466-K472 WeakPolarHBondContact O-CE 3.38Å; H466-K472 WeakPolarHBondContact O-CG 3.31Å; E468-K472 PolarHBondContact O-N 3.31Å; E468-K472 VanDerWaalsContact O-N 3.08Å; K472-N474 PolarHBondContact O-N 2.91Å; K472-A475 PolarHBondContact O-N 3.08Å; K472-V476 WeakPolarHBondContact O-CG2 3.3Å; K472-V476 PolarHBondContact O-N 3.22Å; K472-V516 HydrophobicContact CB-CG1 4.38Å; K472-V516 HydrophobicContact CB-CG2 4.14Å |
| 473 | L | 97.1 | Very high | 95.8 | Very high | 43 Ų | 43 | 33 Ų | 33 | 23% | 0.225 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.1 | -48.5 | -178.1 | 178.8 | 60.9 | 0 | 0 | 0 | 111.5 | A469 S470 I471 W477 P515 V516 R519 | A469-L473 VanDerWaalsContact O-CB 3.29Å; A469-L473 WeakPolarHBondContact O-CB 3.1Å; A469-L473 PolarHBondContact O-N 3.19Å; S470-L473 PolarHBondContact O-N 3.31Å; I471-L473 VanDerWaalsContact C-N 3.32Å; I471-L473 PolarHBondContact O-N 3.08Å; L473-W477 VanDerWaalsContact O-CB 3.28Å; L473-W477 WeakPolarHBondContact O-CB 3.4Å; L473-W477 PolarHBondContact O-N 2.75Å; L473-P515 HydrophobicContact CD1-CB 3.79Å; L473-P515 HydrophobicContact CD2-CB 4.07Å; L473-V516 HydrophobicContact CB-CG2 4.04Å; L473-V516 HydrophobicContact CD1-CG2 4.38Å; L473-R519 HydrophobicContact CD1-CB 4.46Å; L473-R519 HydrophobicContact CD1-CG 3.7Å |
| 474 | N | 98.1 | Very high | 95.7 | Very high | 22 Ų | 22 | 37.5 Ų | 37.5 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 178.3 | -68.2 | -20.9 | 0 | 0 | 0 | 111.3 | A431 T434 A435 C438 S470 I471 K472 V476 W477 A478 | A431-N474 PolarHBondContact O-ND2 2.99Å; T434-N474 WeakPolarHBondContact OG1-CB 3.43Å; T434-N474 PolarHBondContact OG1-ND2 3.25Å; T434-N474 VanDerWaalsContact OG1-ND2 3.11Å; A435-N474 PolarHBondContact N-ND2 3.07Å; C438-N474 PolarHBondContact SG-O 3.34Å; S470-N474 WeakPolarHBondContact O-CB 3.26Å; S470-N474 PolarHBondContact O-N 3.25Å; S470-N474 PolarHBondContact O-ND2 3.27Å; I471-N474 PolarHBondContact O-N 3.45Å; K472-N474 PolarHBondContact O-N 2.91Å; N474-V476 PolarHBondContact O-N 3.21Å; N474-W477 PolarHBondContact O-N 3.49Å; N474-A478 WeakPolarHBondContact O-CB 3.48Å; N474-A478 PolarHBondContact O-N 2.97Å |
| 475 | A | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.1 | -49.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M460 L463 I464 I471 K472 W477 A478 L479 | M460-A475 WeakPolarHBondContact O-CB 3.13Å; M460-A475 HydrophobicContact SD-CB 4.12Å; L463-A475 HydrophobicContact CB-CB 3.73Å; I464-A475 HydrophobicContact CG1-CB 4.43Å; I471-A475 VanDerWaalsContact O-CB 3.29Å; I471-A475 WeakPolarHBondContact O-CB 3.45Å; I471-A475 PolarHBondContact O-N 2.96Å; K472-A475 PolarHBondContact O-N 3.08Å; A475-W477 VanDerWaalsContact C-N 3.33Å; A475-W477 PolarHBondContact O-N 3.02Å; A475-A478 PolarHBondContact O-N 3.19Å; A475-L479 WeakPolarHBondContact O-CG 3.4Å; A475-L479 PolarHBondContact O-N 3.31Å; A475-L479 VanDerWaalsContact O-N 3.13Å |
| 476 | V | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.9 | -40.1 | 177.1 | -179.2 | 0 | 0 | 0 | 0 | 111 | I464 K472 N474 L479 Q480 V516 R519 L520 L523 | I464-V476 HydrophobicContact CD1-CG2 4.1Å; I464-V476 HydrophobicContact CG1-CG2 3.84Å; I464-V476 HydrophobicContact CG2-CG2 4.2Å; K472-V476 WeakPolarHBondContact O-CG2 3.3Å; K472-V476 PolarHBondContact O-N 3.22Å; N474-V476 PolarHBondContact O-N 3.21Å; V476-L479 PolarHBondContact O-N 3.25Å; V476-Q480 PolarHBondContact O-N 3.39Å; V476-V516 HydrophobicContact CG2-CG1 4.23Å; V476-R519 HydrophobicContact CB-CB 4.23Å; V476-R519 HydrophobicContact CG1-CB 3.64Å; V476-L520 HydrophobicContact CB-CD2 4.44Å; V476-L520 HydrophobicContact CG1-CB 4.44Å; V476-L520 HydrophobicContact CG1-CD2 3.73Å; V476-L520 HydrophobicContact CG1-CG 3.88Å; V476-L520 HydrophobicContact CG2-CD2 3.73Å; V476-L520 HydrophobicContact CG2-CG 4.07Å; V476-L523 HydrophobicContact CG1-CD2 4.48Å |
| 477 | W | 97.6 | Very high | 95.4 | Very high | 83 Ų | 83 | 45.6 Ų | 45.6 | 31% | 0.314 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.4 | -38.4 | 179.2 | -167.9 | 3.4 | 0 | 0 | 0 | 112.1 | L473 N474 A475 L479 Q480 N481 R519 | L473-W477 VanDerWaalsContact O-CB 3.28Å; L473-W477 WeakPolarHBondContact O-CB 3.4Å; L473-W477 PolarHBondContact O-N 2.75Å; N474-W477 PolarHBondContact O-N 3.49Å; A475-W477 VanDerWaalsContact C-N 3.33Å; A475-W477 PolarHBondContact O-N 3.02Å; W477-L479 PolarHBondContact O-N 2.95Å; W477-Q480 WeakPolarHBondContact O-CB 3.45Å; W477-Q480 PolarHBondContact O-N 2.65Å; W477-N481 PolarHBondContact NE1-OD1 3.49Å; W477-N481 WeakPolarHBondContact O-CB 3.17Å; W477-N481 PolarHBondContact O-N 3.02Å; W477-R519 VanDerWaalsContact CE2-NH2 3.26Å; W477-R519 VanDerWaalsContact CZ2-NH2 3.32Å |
| 478 | A | 98 | Very high | 95.4 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V441 M460 N474 A475 Q480 N481 C482 | V441-A478 HydrophobicContact CG2-CB 4.29Å; V441-A478 WeakPolarHBondContact CG2-O 3.28Å; M460-A478 HydrophobicContact CE-CB 4.03Å; M460-A478 HydrophobicContact CG-CB 4.03Å; M460-A478 HydrophobicContact SD-CB 4.08Å; N474-A478 WeakPolarHBondContact O-CB 3.48Å; N474-A478 PolarHBondContact O-N 2.97Å; A475-A478 PolarHBondContact O-N 3.19Å; A478-Q480 VanDerWaalsContact C-N 3.34Å; A478-Q480 PolarHBondContact O-N 3.22Å; A478-N481 PolarHBondContact O-N 3.14Å; A478-C482 PolarHBondContact O-N 3.24Å; A478-C482 PolarHBondContact O-SG 3.44Å |
| 479 | L | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 174.5 | -67.7 | 174 | 0 | 0 | 0 | 111.9 | I457 M460 I464 A475 V476 W477 C482 C483 C498 L523 | I457-L479 HydrophobicContact CB-CD2 4.32Å; I457-L479 HydrophobicContact CG2-CD2 3.8Å; M460-L479 HydrophobicContact CB-CD2 3.95Å; M460-L479 HydrophobicContact CB-CG 3.98Å; I464-L479 HydrophobicContact CD1-CD1 3.71Å; I464-L479 HydrophobicContact CG1-CD1 4.42Å; A475-L479 WeakPolarHBondContact O-CG 3.4Å; A475-L479 PolarHBondContact O-N 3.31Å; A475-L479 VanDerWaalsContact O-N 3.13Å; V476-L479 PolarHBondContact O-N 3.25Å; W477-L479 PolarHBondContact O-N 2.95Å; L479-C482 WeakPolarHBondContact O-CB 3.37Å; L479-C482 PolarHBondContact O-N 3.22Å; L479-C483 WeakPolarHBondContact O-CB 3.44Å; L479-C483 PolarHBondContact O-N 3.27Å; L479-C498 HydrophobicContact CD1-CB 4.14Å; L479-L523 HydrophobicContact CB-CD1 4.18Å; L479-L523 HydrophobicContact CB-CD2 4.1Å; L479-L523 HydrophobicContact CD1-CD2 4.39Å |
| 480 | Q | 96.7 | Very high | 95.5 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.7 | -50.1 | 175.1 | -170.8 | -160.3 | -10.8 | 0 | 0 | 110.7 | V476 W477 A478 C482 C483 Y484 R519 L523 D526 | V476-Q480 PolarHBondContact O-N 3.39Å; W477-Q480 WeakPolarHBondContact O-CB 3.45Å; W477-Q480 PolarHBondContact O-N 2.65Å; A478-Q480 VanDerWaalsContact C-N 3.34Å; A478-Q480 PolarHBondContact O-N 3.22Å; Q480-C482 VanDerWaalsContact C-N 3.27Å; Q480-C482 PolarHBondContact O-N 3.25Å; Q480-C483 CarbonylContact O-C 3.32Å; Q480-C483 WeakPolarHBondContact O-CB 3.37Å; Q480-C483 PolarHBondContact O-N 2.77Å; Q480-Y484 PolarHBondContact O-N 3.42Å; Q480-R519 VanDerWaalsContact OE1-CD 3.28Å; Q480-L523 HydrophobicContact CB-CB 4.38Å; Q480-D526 WeakPolarHBondContact CG-OD2 3.29Å; Q480-D526 PolarHBondContact NE2-OD2 3.19Å; Q480-D526 VanDerWaalsContact NE2-OD2 3.15Å |
| 481 | N | 96.5 | Very high | 95.5 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 8% | 0.08 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -32.9 | 179 | -73.1 | -11.1 | 0 | 0 | 0 | 112.3 | C438 V441 L442 K448 W477 A478 | C438-N481 PolarHBondContact O-ND2 3.23Å; V441-N481 HydrophobicContact CG2-CB 3.74Å; L442-N481 HydrophobicContact CD2-CB 4.29Å; K448-N481 PolarHBondContact NZ-O 3.49Å; W477-N481 PolarHBondContact NE1-OD1 3.49Å; W477-N481 WeakPolarHBondContact O-CB 3.17Å; W477-N481 PolarHBondContact O-N 3.02Å; A478-N481 PolarHBondContact O-N 3.14Å |
| 482 | C | 96.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 171.2 | -69.2 | 0 | 0 | 0 | 0 | 111.3 | K448 A478 L479 Q480 A486 V494 | K448-C482 PolarHBondContact NZ-O 3.43Å; A478-C482 PolarHBondContact O-N 3.24Å; A478-C482 PolarHBondContact O-SG 3.44Å; L479-C482 WeakPolarHBondContact O-CB 3.37Å; L479-C482 PolarHBondContact O-N 3.22Å; Q480-C482 VanDerWaalsContact C-N 3.27Å; Q480-C482 PolarHBondContact O-N 3.25Å; C482-A486 VanDerWaalsContact O-CB 3.28Å; C482-A486 WeakPolarHBondContact O-CB 3.35Å; C482-V494 HydrophobicContact CB-CG2 4.26Å |
| 483 | C | 94.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -76.4 | -30.6 | -177 | -167.5 | 0 | 0 | 0 | 0 | 113.9 | L479 Q480 R485 A486 L523 D526 L527 | L479-C483 WeakPolarHBondContact O-CB 3.44Å; L479-C483 PolarHBondContact O-N 3.27Å; Q480-C483 CarbonylContact O-C 3.32Å; Q480-C483 WeakPolarHBondContact O-CB 3.37Å; Q480-C483 PolarHBondContact O-N 2.77Å; C483-R485 PolarHBondContact O-N 3.28Å; C483-R485 VanDerWaalsContact O-N 3.13Å; C483-A486 WeakPolarHBondContact O-CB 3.39Å; C483-A486 PolarHBondContact O-N 3.27Å; C483-L523 HydrophobicContact CB-CD1 4.1Å; C483-D526 HydrophobicContact CB-CB 4.21Å; C483-D526 VanDerWaalsContact SG-C 3.53Å; C483-L527 VanDerWaalsContact SG-CD2 3.55Å |
| 484 | Y | 93.4 | Very high | 95.4 | Very high | 105 Ų | 105 | 41.8 Ų | 41.8 | 41% | 0.412 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 116.7 | -174.9 | -175.8 | -101.9 | 0 | 0 | 0 | 111.6 | Q480 A486 | Q480-Y484 PolarHBondContact O-N 3.42Å; Y484-A486 PolarHBondContact O-N 3.23Å; Y484-A486 VanDerWaalsContact O-N 3.14Å |
| 485 | R | 90.2 | Very high | 95.3 | Very high | 205 Ų | 205 | 41.5 Ų | 41.5 | 77% | 0.774 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 25.4 | -176.1 | -58.8 | -179.7 | 179.7 | -176.6 | -1.1 | 114.3 | C483 | C483-R485 PolarHBondContact O-N 3.28Å; C483-R485 VanDerWaalsContact O-N 3.13Å |
| 486 | A | 92 | Very high | 95.2 | Very high | 15 Ų | 15 | 47.8 Ų | 47.8 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | trans | -79.1 | 160.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | C482 C483 Y484 V490 K491 | C482-A486 VanDerWaalsContact O-CB 3.28Å; C482-A486 WeakPolarHBondContact O-CB 3.35Å; C483-A486 WeakPolarHBondContact O-CB 3.39Å; C483-A486 PolarHBondContact O-N 3.27Å; Y484-A486 PolarHBondContact O-N 3.23Å; Y484-A486 VanDerWaalsContact O-N 3.14Å; A486-V490 HydrophobicContact CB-CB 3.86Å; A486-V490 HydrophobicContact CB-CG1 3.86Å; A486-K491 HydrophobicContact CB-CG 4.42Å; A486-K491 WeakPolarHBondContact O-CE 3.36Å; A486-K491 PolarHBondContact O-NZ 3.21Å | ||
| 487 | D | 92.7 | Very high | 95.2 | Very high | 83 Ų | 83 | 48.8 Ų | 48.8 | 44% | 0.444 | 23% | 0.228 | S | C | . | . | trans | -68.7 | 166.2 | 169.3 | 65.1 | 32.6 | 0 | 0 | 0 | 111.6 | R489 V490 K491 | D487-R489 PolarHBondContact O-N 3.08Å; D487-R489 WeakPolarHBondContact OD1-CA 3.23Å; D487-R489 WeakPolarHBondContact OD1-CB 3.46Å; D487-R489 PolarHBondContact OD1-N 3.24Å; D487-R489 VanDerWaalsContact OD1-N 3.11Å; D487-V490 PolarHBondContact O-N 3.41Å; D487-V490 PolarHBondContact OD1-N 2.9Å; D487-K491 WeakPolarHBondContact O-CG 3.48Å; D487-K491 PolarHBondContact O-N 3.05Å; D487-K491 VanDerWaalsContact O-N 3.11Å | ||
| 488 | D | 92.4 | Very high | 95.2 | Very high | 59 Ų | 59 | 44.9 Ų | 44.9 | 32% | 0.316 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.4 | -22.7 | -177.3 | -63.6 | -13.2 | 0 | 0 | 0 | 112.2 | A492 N530 F533 | D488-A492 VanDerWaalsContact O-CB 3.31Å; D488-A492 WeakPolarHBondContact O-CB 3.31Å; D488-A492 PolarHBondContact O-N 3.35Å; D488-N530 PolarHBondContact OD1-ND2 3.08Å; D488-N530 PolarHBondContact OD2-ND2 3.08Å; D488-N530 VanDerWaalsContact OD2-ND2 3.1Å; D488-F533 HydrophobicContact CB-CD2 3.75Å; D488-F533 HydrophobicContact CB-CE2 4.04Å; D488-F533 HydrophobicContact CB-CG 4.37Å |
| 489 | R | 93.4 | Very high | 95.1 | Very high | 168 Ų | 168 | 47.1 Ų | 47.1 | 63% | 0.634 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -68.1 | -51.9 | 176.5 | 177.7 | -176.3 | 66.7 | 151.8 | 3.5 | 110.7 | D487 K491 A492 I493 | D487-R489 PolarHBondContact O-N 3.08Å; D487-R489 WeakPolarHBondContact OD1-CA 3.23Å; D487-R489 WeakPolarHBondContact OD1-CB 3.46Å; D487-R489 PolarHBondContact OD1-N 3.24Å; D487-R489 VanDerWaalsContact OD1-N 3.11Å; R489-K491 VanDerWaalsContact C-N 3.32Å; R489-K491 PolarHBondContact O-N 3.37Å; R489-A492 PolarHBondContact O-N 3.19Å; R489-I493 WeakPolarHBondContact O-CG1 3.48Å; R489-I493 PolarHBondContact O-N 2.94Å; R489-I493 VanDerWaalsContact O-N 3.13Å |
| 490 | V | 94.8 | Very high | 95 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 5% | 0.048 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | 177.9 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | I452 I457 A486 D487 A492 I493 V494 | I452-V490 HydrophobicContact CD1-CG1 4.03Å; I452-V490 HydrophobicContact CD1-CG2 4.25Å; I457-V490 HydrophobicContact CD1-CG1 4.49Å; A486-V490 HydrophobicContact CB-CB 3.86Å; A486-V490 HydrophobicContact CB-CG1 3.86Å; D487-V490 PolarHBondContact O-N 3.41Å; D487-V490 PolarHBondContact OD1-N 2.9Å; V490-A492 VanDerWaalsContact C-N 3.31Å; V490-A492 PolarHBondContact O-N 3.15Å; V490-I493 PolarHBondContact O-N 3.47Å; V490-I493 VanDerWaalsContact O-N 3.16Å; V490-V494 HydrophobicContact CG1-CG2 4.5Å; V490-V494 WeakPolarHBondContact O-CG2 3.49Å; V490-V494 PolarHBondContact O-N 3.18Å |
| 491 | K | 95.2 | Very high | 95 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.1 | -41.4 | 174.9 | -69.6 | 179 | -178 | 163.2 | 0 | 112.3 | A486 D487 R489 I493 V494 L495 L527 T529 F533 | A486-K491 HydrophobicContact CB-CG 4.42Å; A486-K491 WeakPolarHBondContact O-CE 3.36Å; A486-K491 PolarHBondContact O-NZ 3.21Å; D487-K491 WeakPolarHBondContact O-CG 3.48Å; D487-K491 PolarHBondContact O-N 3.05Å; D487-K491 VanDerWaalsContact O-N 3.11Å; R489-K491 VanDerWaalsContact C-N 3.32Å; R489-K491 PolarHBondContact O-N 3.37Å; K491-I493 PolarHBondContact O-N 2.95Å; K491-V494 PolarHBondContact O-N 3.13Å; K491-L495 VanDerWaalsContact O-CB 3.29Å; K491-L495 WeakPolarHBondContact O-CB 3.1Å; K491-L495 PolarHBondContact O-N 3.33Å; K491-L527 HydrophobicContact CB-CD2 4.23Å; K491-T529 PolarHBondContact NZ-OG1 3.37Å; K491-F533 HydrophobicContact CB-CD1 4.45Å; K491-F533 HydrophobicContact CB-CE1 3.56Å; K491-F533 HydrophobicContact CB-CZ 3.6Å; K491-F533 HydrophobicContact CD-CD1 4.03Å; K491-F533 HydrophobicContact CD-CE1 3.89Å; K491-F533 HydrophobicContact CG-CE1 4.35Å |
| 492 | A | 94.9 | Very high | 94.9 | Very high | 34 Ų | 34 | 50 Ų | 50 | 28% | 0.281 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.3 | -39.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D488 R489 V490 L495 N496 | D488-A492 VanDerWaalsContact O-CB 3.31Å; D488-A492 WeakPolarHBondContact O-CB 3.31Å; D488-A492 PolarHBondContact O-N 3.35Å; R489-A492 PolarHBondContact O-N 3.19Å; V490-A492 VanDerWaalsContact C-N 3.31Å; V490-A492 PolarHBondContact O-N 3.15Å; A492-L495 PolarHBondContact O-N 3.49Å; A492-N496 WeakPolarHBondContact O-CB 3.44Å; A492-N496 PolarHBondContact O-N 3.24Å; A492-N496 PolarHBondContact O-ND2 3.18Å |
| 493 | I | 96.6 | Very high | 94.8 | Very high | 51 Ų | 51 | 50 Ų | 50 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63 | -47.1 | 175.1 | -60.3 | 166.1 | 0 | 0 | 0 | 110.3 | I452 I457 R489 V490 K491 L495 N496 A497 | I452-I493 HydrophobicContact CG2-CD1 4.43Å; I457-I493 HydrophobicContact CB-CG2 4.26Å; I457-I493 HydrophobicContact CD1-CB 4.18Å; I457-I493 HydrophobicContact CD1-CG2 3.7Å; I457-I493 HydrophobicContact CG2-CG2 4.06Å; R489-I493 WeakPolarHBondContact O-CG1 3.48Å; R489-I493 PolarHBondContact O-N 2.94Å; R489-I493 VanDerWaalsContact O-N 3.13Å; V490-I493 PolarHBondContact O-N 3.47Å; V490-I493 VanDerWaalsContact O-N 3.16Å; K491-I493 PolarHBondContact O-N 2.95Å; I493-L495 PolarHBondContact O-N 3.41Å; I493-N496 PolarHBondContact O-N 3.41Å; I493-A497 WeakPolarHBondContact O-CB 3.16Å; I493-A497 PolarHBondContact O-N 3.11Å |
| 494 | V | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 176.8 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | I457 C482 V490 K491 N496 A497 C498 L523 L527 | I457-V494 HydrophobicContact CD1-CG2 3.79Å; I457-V494 HydrophobicContact CG1-CG2 4.31Å; I457-V494 HydrophobicContact CG2-CG2 4.12Å; C482-V494 HydrophobicContact CB-CG2 4.26Å; V490-V494 HydrophobicContact CG1-CG2 4.5Å; V490-V494 WeakPolarHBondContact O-CG2 3.49Å; V490-V494 PolarHBondContact O-N 3.18Å; K491-V494 PolarHBondContact O-N 3.13Å; V494-N496 VanDerWaalsContact C-N 3.33Å; V494-N496 PolarHBondContact O-N 2.95Å; V494-A497 PolarHBondContact O-N 2.76Å; V494-C498 PolarHBondContact O-N 3.45Å; V494-L523 HydrophobicContact CG1-CD1 3.78Å; V494-L527 HydrophobicContact CB-CD2 4.32Å; V494-L527 HydrophobicContact CG1-CD2 4.18Å |
| 495 | L | 96.2 | Very high | 95 | Very high | 17 Ų | 17 | 49.5 Ų | 49.5 | 9% | 0.089 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 178.4 | -174.2 | 71.4 | 0 | 0 | 0 | 111.9 | K491 A492 I493 C498 P499 P500 L527 V537 | K491-L495 VanDerWaalsContact O-CB 3.29Å; K491-L495 WeakPolarHBondContact O-CB 3.1Å; K491-L495 PolarHBondContact O-N 3.33Å; A492-L495 PolarHBondContact O-N 3.49Å; I493-L495 PolarHBondContact O-N 3.41Å; L495-C498 CarbonylContact O-C 3.51Å; L495-P499 WeakPolarHBondContact O-CA 3.41Å; L495-P499 VanDerWaalsContact O-N 3.16Å; L495-P500 HydrophobicContact CD1-CG 4.14Å; L495-L527 HydrophobicContact CB-CD2 4.27Å; L495-L527 HydrophobicContact CD1-CD1 4.18Å; L495-V537 HydrophobicContact CD1-CG1 4.21Å; L495-V537 HydrophobicContact CD2-CG1 4.45Å; L495-V537 HydrophobicContact CD2-CG2 3.96Å |
| 496 | N | 96.4 | Very high | 95.2 | Very high | 131 Ų | 131 | 40.3 Ų | 40.3 | 70% | 0.701 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -69 | -39.4 | 177.4 | -72.6 | -24.3 | 0 | 0 | 0 | 111.9 | A492 I493 V494 | A492-N496 WeakPolarHBondContact O-CB 3.44Å; A492-N496 PolarHBondContact O-N 3.24Å; A492-N496 PolarHBondContact O-ND2 3.18Å; I493-N496 PolarHBondContact O-N 3.41Å; V494-N496 VanDerWaalsContact C-N 3.33Å; V494-N496 PolarHBondContact O-N 2.95Å |
| 497 | A | 96.8 | Very high | 95.3 | Very high | 21 Ų | 21 | 39.6 Ų | 39.6 | 17% | 0.174 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.9 | -38.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I457 S461 I493 V494 | I457-A497 HydrophobicContact CG2-CB 3.53Å; S461-A497 WeakPolarHBondContact CB-O 3.3Å; S461-A497 PolarHBondContact OG-O 3.25Å; I493-A497 WeakPolarHBondContact O-CB 3.16Å; I493-A497 PolarHBondContact O-N 3.11Å; V494-A497 PolarHBondContact O-N 2.76Å |
| 498 | C | 96.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -129.2 | 74.8 | -178.4 | -167.7 | 0 | 0 | 0 | 0 | 110.4 | I464 L479 V494 L495 | I464-C498 HydrophobicContact CD1-CB 4.45Å; I464-C498 WeakPolarHBondContact CD1-SG 3.46Å; L479-C498 HydrophobicContact CD1-CB 4.14Å; V494-C498 PolarHBondContact O-N 3.45Å; L495-C498 CarbonylContact O-C 3.51Å |
| 499 | P | 96 | Very high | 95.4 | Very high | 48 Ų | 48 | 41.7 Ų | 41.7 | 31% | 0.312 | 22% | 0.224 | S | C | . | . | trans | -67.9 | 154.4 | -177.2 | 27.3 | -34.8 | 0 | 0 | 0 | 111.3 | L495 G501 R502 I503 | L495-P499 WeakPolarHBondContact O-CA 3.41Å; L495-P499 VanDerWaalsContact O-N 3.16Å; P499-G501 PolarHBondContact O-N 3.29Å; P499-R502 HydrophobicContact CG-CB 4.26Å; P499-R502 WeakPolarHBondContact O-CA 3.46Å; P499-R502 WeakPolarHBondContact O-CB 3.46Å; P499-R502 PolarHBondContact O-N 2.94Å; P499-I503 PolarHBondContact O-N 3.5Å | ||
| 500 | P | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.2 | -29.9 | 179.4 | -32 | 40.3 | 0 | 0 | 0 | 114.5 | L495 R502 I503 L504 L524 N541 Q544 I545 I548 | L495-P500 HydrophobicContact CD1-CG 4.14Å; P500-R502 VanDerWaalsContact C-N 3.3Å; P500-R502 PolarHBondContact O-N 3.3Å; P500-I503 WeakPolarHBondContact O-CB 3.43Å; P500-I503 PolarHBondContact O-N 2.95Å; P500-L504 WeakPolarHBondContact O-CB 3.3Å; P500-L504 PolarHBondContact O-N 3.28Å; P500-L524 HydrophobicContact CG-CD1 4.31Å; P500-N541 HydrophobicContact CB-CB 4.28Å; P500-N541 WeakPolarHBondContact CD-OD1 3.48Å; P500-N541 HydrophobicContact CG-CB 3.73Å; P500-Q544 HydrophobicContact CB-CB 4.05Å; P500-I545 HydrophobicContact CB-CD1 4.47Å; P500-I545 HydrophobicContact CB-CG1 3.68Å; P500-I545 HydrophobicContact CG-CD1 3.99Å; P500-I545 HydrophobicContact CG-CG1 3.75Å; P500-I548 HydrophobicContact CB-CD1 4.36Å; P500-I548 WeakPolarHBondContact O-CD1 3.26Å |
| 501 | G | 95.7 | Very high | 94.8 | Very high | 27 Ų | 27 | 42.3 Ų | 42.3 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.1 | -38.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P499 L504 C505 | P499-G501 PolarHBondContact O-N 3.29Å; G501-L504 WeakPolarHBondContact O-CB 3.23Å; G501-L504 PolarHBondContact O-N 2.98Å; G501-C505 PolarHBondContact O-N 3.24Å; G501-C505 VanDerWaalsContact O-N 3.1Å; G501-C505 PolarHBondContact O-SG 3.28Å; G501-C505 VanDerWaalsContact O-SG 3.36Å |
| 502 | R | 94.8 | Very high | 94.5 | Very high | 67 Ų | 67 | 44.8 Ų | 44.8 | 25% | 0.253 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.8 | -39.3 | 176.1 | -171.5 | 175.1 | 176.2 | 83 | -6.2 | 111.2 | S461 D465 P499 P500 L504 C505 A506 | S461-R502 PolarHBondContact O-NE 3.2Å; S461-R502 PolarHBondContact O-NH2 2.9Å; D465-R502 IonicContact OD1-CZ 3.65Å; D465-R502 IonicContact OD1-NH1 3.53Å; D465-R502 IonicContact OD1-NH2 2.64Å; D465-R502 PolarHBondContact OD1-NH2 3.49Å; D465-R502 IonicContact OD2-CZ 2.81Å; D465-R502 IonicContact OD2-NH1 2.91Å; D465-R502 PolarHBondContact OD2-NH1 3.09Å; D465-R502 IonicContact OD2-NH2 3.67Å; D465-R502 PolarHBondContact OD2-NH2 3.36Å; P499-R502 HydrophobicContact CG-CB 4.26Å; P499-R502 WeakPolarHBondContact O-CA 3.46Å; P499-R502 WeakPolarHBondContact O-CB 3.46Å; P499-R502 PolarHBondContact O-N 2.94Å; P500-R502 VanDerWaalsContact C-N 3.3Å; P500-R502 PolarHBondContact O-N 3.3Å; R502-L504 VanDerWaalsContact C-N 3.32Å; R502-L504 PolarHBondContact O-N 3.49Å; R502-C505 PolarHBondContact O-N 3.39Å; R502-A506 PolarHBondContact O-N 2.88Å |
| 503 | I | 95.7 | Very high | 94 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 173.3 | -60.6 | 178.4 | 0 | 0 | 0 | 110.2 | P499 P500 A506 V507 L520 L523 L524 I548 | P499-I503 PolarHBondContact O-N 3.5Å; P500-I503 WeakPolarHBondContact O-CB 3.43Å; P500-I503 PolarHBondContact O-N 2.95Å; I503-A506 PolarHBondContact O-N 3.1Å; I503-V507 HydrophobicContact CG2-CG2 4.18Å; I503-V507 WeakPolarHBondContact O-CB 3.46Å; I503-V507 VanDerWaalsContact O-CG2 3.31Å; I503-V507 WeakPolarHBondContact O-CG2 3.44Å; I503-V507 PolarHBondContact O-N 2.83Å; I503-L520 HydrophobicContact CG1-CD2 4.2Å; I503-L520 HydrophobicContact CG2-CB 4.01Å; I503-L520 HydrophobicContact CG2-CD2 4.3Å; I503-L523 HydrophobicContact CD1-CD2 4.4Å; I503-L524 HydrophobicContact CD1-CB 4.4Å; I503-I548 HydrophobicContact CB-CD1 3.99Å; I503-I548 HydrophobicContact CG2-CD1 3.8Å |
| 504 | L | 96.2 | Very high | 93.8 | Very high | 29 Ų | 29 | 45.5 Ų | 45.5 | 15% | 0.152 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.6 | -51.5 | 177.6 | 179 | 60.7 | 0 | 0 | 0 | 111.2 | P500 G501 R502 A506 V507 T508 Q547 I548 | P500-L504 WeakPolarHBondContact O-CB 3.3Å; P500-L504 PolarHBondContact O-N 3.28Å; G501-L504 WeakPolarHBondContact O-CB 3.23Å; G501-L504 PolarHBondContact O-N 2.98Å; R502-L504 VanDerWaalsContact C-N 3.32Å; R502-L504 PolarHBondContact O-N 3.49Å; L504-A506 PolarHBondContact O-N 3.5Å; L504-V507 PolarHBondContact O-N 3.01Å; L504-T508 HydrophobicContact CD1-CG2 3.86Å; L504-T508 HydrophobicContact CG-CG2 4.41Å; L504-T508 WeakPolarHBondContact O-CB 3.35Å; L504-T508 VanDerWaalsContact O-CG2 3.31Å; L504-T508 WeakPolarHBondContact O-CG2 3.37Å; L504-T508 PolarHBondContact O-N 3.24Å; L504-T508 PolarHBondContact O-OG1 3.37Å; L504-Q547 HydrophobicContact CD1-CB 4.23Å; L504-Q547 HydrophobicContact CD2-CB 3.94Å; L504-I548 HydrophobicContact CB-CD1 4.09Å; L504-I548 HydrophobicContact CB-CG1 3.66Å; L504-I548 HydrophobicContact CD1-CB 4.48Å; L504-I548 HydrophobicContact CD1-CG1 3.69Å; L504-I548 HydrophobicContact CG-CG1 4.23Å |
| 505 | C | 94.9 | Very high | 93.6 | Very high | 67 Ų | 67 | 49.6 Ų | 49.6 | 45% | 0.453 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -53.1 | -53.1 | 176.1 | -67.7 | 0 | 0 | 0 | 0 | 111.5 | G501 R502 V507 T508 E509 | G501-C505 PolarHBondContact O-N 3.24Å; G501-C505 VanDerWaalsContact O-N 3.1Å; G501-C505 PolarHBondContact O-SG 3.28Å; G501-C505 VanDerWaalsContact O-SG 3.36Å; R502-C505 PolarHBondContact O-N 3.39Å; C505-V507 PolarHBondContact O-N 2.94Å; C505-T508 WeakPolarHBondContact CA-OG1 3.3Å; C505-T508 PolarHBondContact O-N 3.24Å; C505-T508 PolarHBondContact O-OG1 2.86Å; C505-E509 WeakPolarHBondContact O-CG 3.3Å; C505-E509 PolarHBondContact O-N 3.44Å |
| 506 | A | 93.4 | Very high | 93.6 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.8 | -41.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | I464 R502 I503 L504 E509 L510 L520 | I464-A506 HydrophobicContact CG2-CB 4.5Å; R502-A506 PolarHBondContact O-N 2.88Å; I503-A506 PolarHBondContact O-N 3.1Å; L504-A506 PolarHBondContact O-N 3.5Å; A506-E509 PolarHBondContact O-N 3.3Å; A506-L510 WeakPolarHBondContact O-CD1 3.39Å; A506-L510 WeakPolarHBondContact O-CG 3.41Å; A506-L510 PolarHBondContact O-N 3.3Å; A506-L520 HydrophobicContact CB-CD1 3.71Å |
| 507 | V | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.4 | -42.1 | 177 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | I503 L504 C505 E509 L510 Q511 V517 L520 F551 I552 | I503-V507 HydrophobicContact CG2-CG2 4.18Å; I503-V507 WeakPolarHBondContact O-CB 3.46Å; I503-V507 VanDerWaalsContact O-CG2 3.31Å; I503-V507 WeakPolarHBondContact O-CG2 3.44Å; I503-V507 PolarHBondContact O-N 2.83Å; L504-V507 PolarHBondContact O-N 3.01Å; C505-V507 PolarHBondContact O-N 2.94Å; V507-E509 VanDerWaalsContact C-N 3.34Å; V507-L510 PolarHBondContact O-N 3.14Å; V507-Q511 PolarHBondContact O-N 3.46Å; V507-V517 HydrophobicContact CG1-CG1 4.27Å; V507-V517 HydrophobicContact CG2-CG1 4.35Å; V507-V517 HydrophobicContact CG2-CG2 4.48Å; V507-L520 HydrophobicContact CG2-CB 4.32Å; V507-L520 HydrophobicContact CG2-CD1 3.98Å; V507-F551 HydrophobicContact CG1-CD1 3.8Å; V507-F551 HydrophobicContact CG1-CE1 3.91Å; V507-I552 HydrophobicContact CG1-CD1 3.67Å; V507-I552 HydrophobicContact CG1-CG1 4.43Å |
| 508 | T | 94.1 | Very high | 93.5 | Very high | 45 Ų | 45 | 44.5 Ų | 44.5 | 28% | 0.276 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.3 | -23.7 | 179.1 | 57.9 | 0 | 0 | 0 | 0 | 114.2 | L504 C505 Q511 F551 | L504-T508 HydrophobicContact CD1-CG2 3.86Å; L504-T508 HydrophobicContact CG-CG2 4.41Å; L504-T508 WeakPolarHBondContact O-CB 3.35Å; L504-T508 VanDerWaalsContact O-CG2 3.31Å; L504-T508 WeakPolarHBondContact O-CG2 3.37Å; L504-T508 PolarHBondContact O-N 3.24Å; L504-T508 PolarHBondContact O-OG1 3.37Å; C505-T508 WeakPolarHBondContact CA-OG1 3.3Å; C505-T508 PolarHBondContact O-N 3.24Å; C505-T508 PolarHBondContact O-OG1 2.86Å; T508-Q511 WeakPolarHBondContact O-CG 3.41Å; T508-Q511 PolarHBondContact O-NE2 3.06Å; T508-F551 HydrophobicContact CG2-CD1 4.25Å; T508-F551 HydrophobicContact CG2-CD2 4.21Å; T508-F551 HydrophobicContact CG2-CE1 4.11Å; T508-F551 HydrophobicContact CG2-CE2 4.09Å; T508-F551 HydrophobicContact CG2-CG 4.29Å; T508-F551 HydrophobicContact CG2-CZ 4.04Å |
| 509 | E | 93 | Very high | 93.4 | Very high | 141 Ų | 141 | 47.5 Ų | 47.5 | 66% | 0.659 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -76.7 | -39.4 | 173.2 | -76.6 | 174.4 | -171.4 | 0 | 0 | 111.6 | C505 A506 V507 | C505-E509 WeakPolarHBondContact O-CG 3.3Å; C505-E509 PolarHBondContact O-N 3.44Å; A506-E509 PolarHBondContact O-N 3.3Å; V507-E509 VanDerWaalsContact C-N 3.34Å |
| 510 | L | 90.3 | Very high | 93.5 | Very high | 53 Ų | 53 | 45.2 Ų | 45.2 | 28% | 0.277 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -75.4 | -32 | -176.8 | -71.8 | 166.3 | 0 | 0 | 0 | 113.4 | A506 V507 S512 V516 V517 | A506-L510 WeakPolarHBondContact O-CD1 3.39Å; A506-L510 WeakPolarHBondContact O-CG 3.41Å; A506-L510 PolarHBondContact O-N 3.3Å; V507-L510 PolarHBondContact O-N 3.14Å; L510-S512 WeakPolarHBondContact O-CB 3.32Å; L510-S512 PolarHBondContact O-N 3.36Å; L510-S512 PolarHBondContact O-OG 2.88Å; L510-V516 HydrophobicContact CD1-CB 3.97Å; L510-V516 HydrophobicContact CD1-CG1 3.93Å; L510-V517 HydrophobicContact CB-CG2 3.79Å; L510-V517 HydrophobicContact CD1-CG2 3.73Å; L510-V517 HydrophobicContact CG-CG2 4.41Å |
| 511 | Q | 86.4 | Confident | 93.5 | Very high | 137 Ų | 137 | 45.2 Ų | 45.2 | 64% | 0.64 | 25% | 0.248 | S | C | * | . | trans | 46.2 | 24.3 | 174.8 | -54.3 | -170.3 | -3.6 | 0 | 0 | 116.1 | V507 T508 | V507-Q511 PolarHBondContact O-N 3.46Å; T508-Q511 WeakPolarHBondContact O-CG 3.41Å; T508-Q511 PolarHBondContact O-NE2 3.06Å | ||
| 512 | S | 88.8 | Confident | 93.6 | Very high | 59 Ų | 59 | 47.4 Ų | 47.4 | 41% | 0.413 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -152.4 | 162 | -171.9 | 57.8 | 0 | 0 | 0 | 0 | 111.3 | L510 S514 | L510-S512 WeakPolarHBondContact O-CB 3.32Å; L510-S512 PolarHBondContact O-N 3.36Å; L510-S512 PolarHBondContact O-OG 2.88Å; S512-S514 PolarHBondContact O-N 2.96Å |
| 513 | D | 84.8 | Confident | 93.7 | Very high | 79 Ų | 79 | 44.2 Ų | 44.2 | 42% | 0.422 | 24% | 0.236 | S | C | . | . | trans | -70.2 | 56.6 | 172.7 | -73.3 | -59.8 | 0 | 0 | 0 | 112 | S558 | D513-S558 VanDerWaalsContact CG-CB 3.48Å; D513-S558 VanDerWaalsContact CG-N 3.28Å; D513-S558 VanDerWaalsContact CG-OG 3.31Å; D513-S558 VanDerWaalsContact OD1-CB 3.31Å; D513-S558 WeakPolarHBondContact OD1-CB 3.45Å; D513-S558 PolarHBondContact OD1-N 2.87Å; D513-S558 PolarHBondContact OD1-OG 3.27Å; D513-S558 VanDerWaalsContact OD2-CB 3.26Å; D513-S558 WeakPolarHBondContact OD2-CB 3.31Å; D513-S558 PolarHBondContact OD2-N 2.85Å | ||
| 514 | S | 90.9 | Very high | 93.7 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | trans | -75.7 | 149.2 | 172.9 | 76.8 | 0 | 0 | 0 | 0 | 110.5 | S512 V516 V517 L518 | S512-S514 PolarHBondContact O-N 2.96Å; S514-V516 PolarHBondContact O-N 2.79Å; S514-V516 VanDerWaalsContact O-N 3.1Å; S514-V516 PolarHBondContact OG-N 3.4Å; S514-V517 PolarHBondContact O-N 3.13Å; S514-V517 VanDerWaalsContact O-N 3.09Å; S514-V517 WeakPolarHBondContact OG-CG2 3.42Å; S514-V517 PolarHBondContact OG-N 3.47Å; S514-V517 VanDerWaalsContact OG-N 3.16Å; S514-L518 PolarHBondContact O-N 3.33Å | ||
| 515 | P | 94.5 | Very high | 93.7 | Very high | 86 Ų | 86 | 44.3 Ų | 44.3 | 56% | 0.558 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -53.9 | -29.7 | 171.4 | -27.6 | 35.8 | 0 | 0 | 0 | 113.3 | L473 R519 | L473-P515 HydrophobicContact CD1-CB 3.79Å; L473-P515 HydrophobicContact CD2-CB 4.07Å; P515-R519 VanDerWaalsContact O-CG 3.31Å; P515-R519 WeakPolarHBondContact O-CG 3.34Å; P515-R519 PolarHBondContact O-N 3.45Å; P515-R519 VanDerWaalsContact O-N 3.09Å |
| 516 | V | 95.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.3 | -46 | 177.9 | -177.3 | 0 | 0 | 0 | 0 | 111 | K472 L473 V476 L510 S514 L518 R519 L520 | K472-V516 HydrophobicContact CB-CG1 4.38Å; K472-V516 HydrophobicContact CB-CG2 4.14Å; L473-V516 HydrophobicContact CB-CG2 4.04Å; L473-V516 HydrophobicContact CD1-CG2 4.38Å; V476-V516 HydrophobicContact CG2-CG1 4.23Å; L510-V516 HydrophobicContact CD1-CB 3.97Å; L510-V516 HydrophobicContact CD1-CG1 3.93Å; S514-V516 PolarHBondContact O-N 2.79Å; S514-V516 VanDerWaalsContact O-N 3.1Å; S514-V516 PolarHBondContact OG-N 3.4Å; V516-L518 VanDerWaalsContact C-N 3.33Å; V516-L518 PolarHBondContact O-N 3.06Å; V516-R519 PolarHBondContact O-N 3.34Å; V516-L520 HydrophobicContact CG1-CD1 4.13Å; V516-L520 HydrophobicContact CG1-CG 4.45Å; V516-L520 WeakPolarHBondContact O-CG 3.5Å; V516-L520 PolarHBondContact O-N 3.21Å |
| 517 | V | 95.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.3 | -47.5 | 176.5 | 168.5 | 0 | 0 | 0 | 0 | 110.3 | V507 L510 S514 R519 L520 L521 I552 F557 | V507-V517 HydrophobicContact CG1-CG1 4.27Å; V507-V517 HydrophobicContact CG2-CG1 4.35Å; V507-V517 HydrophobicContact CG2-CG2 4.48Å; L510-V517 HydrophobicContact CB-CG2 3.79Å; L510-V517 HydrophobicContact CD1-CG2 3.73Å; L510-V517 HydrophobicContact CG-CG2 4.41Å; S514-V517 PolarHBondContact O-N 3.13Å; S514-V517 VanDerWaalsContact O-N 3.09Å; S514-V517 WeakPolarHBondContact OG-CG2 3.42Å; S514-V517 PolarHBondContact OG-N 3.47Å; S514-V517 VanDerWaalsContact OG-N 3.16Å; V517-R519 VanDerWaalsContact C-N 3.3Å; V517-R519 PolarHBondContact O-N 3.04Å; V517-L520 WeakPolarHBondContact O-CB 3.48Å; V517-L520 PolarHBondContact O-N 3.35Å; V517-L520 VanDerWaalsContact O-N 3.15Å; V517-L521 HydrophobicContact CG1-CD1 4.29Å; V517-L521 HydrophobicContact CG1-CG 4.5Å; V517-L521 WeakPolarHBondContact O-CG 3.41Å; V517-L521 PolarHBondContact O-N 3.23Å; V517-I552 HydrophobicContact CG1-CD1 4.08Å; V517-F557 HydrophobicContact CG1-CE1 4.32Å |
| 518 | L | 95.7 | Very high | 93.8 | Very high | 52 Ų | 52 | 41 Ų | 41 | 27% | 0.272 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.2 | -40.4 | -179.9 | -170.9 | 64.8 | 0 | 0 | 0 | 111.8 | S514 V516 L521 Y522 V564 | S514-L518 PolarHBondContact O-N 3.33Å; V516-L518 VanDerWaalsContact C-N 3.33Å; V516-L518 PolarHBondContact O-N 3.06Å; L518-L521 PolarHBondContact O-N 3.04Å; L518-Y522 HydrophobicContact CD1-CE2 3.92Å; L518-Y522 HydrophobicContact CD2-CE2 3.92Å; L518-Y522 HydrophobicContact CG-CD2 4.01Å; L518-Y522 HydrophobicContact CG-CE2 3.54Å; L518-Y522 WeakPolarHBondContact O-CD2 3.34Å; L518-Y522 PolarHBondContact O-N 3.18Å; L518-V564 HydrophobicContact CD1-CG2 3.9Å |
| 519 | R | 95.8 | Very high | 93.5 | Very high | 64 Ų | 64 | 41.5 Ų | 41.5 | 24% | 0.242 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.7 | -37.1 | 175.5 | -71.1 | -65.6 | -178.7 | 179.3 | 0.4 | 113.2 | L473 V476 W477 Q480 P515 V516 V517 L521 Y522 L523 | L473-R519 HydrophobicContact CD1-CB 4.46Å; L473-R519 HydrophobicContact CD1-CG 3.7Å; V476-R519 HydrophobicContact CB-CB 4.23Å; V476-R519 HydrophobicContact CG1-CB 3.64Å; W477-R519 VanDerWaalsContact CE2-NH2 3.26Å; W477-R519 VanDerWaalsContact CZ2-NH2 3.32Å; Q480-R519 VanDerWaalsContact OE1-CD 3.28Å; P515-R519 VanDerWaalsContact O-CG 3.31Å; P515-R519 WeakPolarHBondContact O-CG 3.34Å; P515-R519 PolarHBondContact O-N 3.45Å; P515-R519 VanDerWaalsContact O-N 3.09Å; V516-R519 PolarHBondContact O-N 3.34Å; V517-R519 VanDerWaalsContact C-N 3.3Å; V517-R519 PolarHBondContact O-N 3.04Å; R519-L521 VanDerWaalsContact C-N 3.33Å; R519-Y522 PolarHBondContact O-N 3.46Å; R519-L523 WeakPolarHBondContact O-CB 3.3Å; R519-L523 PolarHBondContact O-N 3.12Å |
| 520 | L | 96.8 | Very high | 93 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 175 | -76.9 | 169.9 | 0 | 0 | 0 | 111.5 | V476 I503 A506 V507 V516 V517 L523 L524 | V476-L520 HydrophobicContact CB-CD2 4.44Å; V476-L520 HydrophobicContact CG1-CB 4.44Å; V476-L520 HydrophobicContact CG1-CD2 3.73Å; V476-L520 HydrophobicContact CG1-CG 3.88Å; V476-L520 HydrophobicContact CG2-CD2 3.73Å; V476-L520 HydrophobicContact CG2-CG 4.07Å; I503-L520 HydrophobicContact CG1-CD2 4.2Å; I503-L520 HydrophobicContact CG2-CB 4.01Å; I503-L520 HydrophobicContact CG2-CD2 4.3Å; A506-L520 HydrophobicContact CB-CD1 3.71Å; V507-L520 HydrophobicContact CG2-CB 4.32Å; V507-L520 HydrophobicContact CG2-CD1 3.98Å; V516-L520 HydrophobicContact CG1-CD1 4.13Å; V516-L520 HydrophobicContact CG1-CG 4.45Å; V516-L520 WeakPolarHBondContact O-CG 3.5Å; V516-L520 PolarHBondContact O-N 3.21Å; V517-L520 WeakPolarHBondContact O-CB 3.48Å; V517-L520 PolarHBondContact O-N 3.35Å; V517-L520 VanDerWaalsContact O-N 3.15Å; L520-L523 WeakPolarHBondContact O-CB 3.27Å; L520-L523 PolarHBondContact O-N 3.02Å; L520-L524 PolarHBondContact O-N 3.35Å |
| 521 | L | 97 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 175.1 | -62.7 | 178.2 | 0 | 0 | 0 | 111.7 | V517 L518 R519 L524 M525 I548 I552 A561 V564 I568 | V517-L521 HydrophobicContact CG1-CD1 4.29Å; V517-L521 HydrophobicContact CG1-CG 4.5Å; V517-L521 WeakPolarHBondContact O-CG 3.41Å; V517-L521 PolarHBondContact O-N 3.23Å; L518-L521 PolarHBondContact O-N 3.04Å; R519-L521 VanDerWaalsContact C-N 3.33Å; L521-L524 PolarHBondContact O-N 2.75Å; L521-M525 WeakPolarHBondContact O-CB 3.34Å; L521-M525 PolarHBondContact O-N 2.76Å; L521-I548 HydrophobicContact CD2-CG2 3.71Å; L521-I552 HydrophobicContact CD1-CD1 4.15Å; L521-I552 HydrophobicContact CD1-CG1 4.08Å; L521-I552 HydrophobicContact CD1-CG2 4.38Å; L521-I552 HydrophobicContact CD2-CG1 4.03Å; L521-A561 HydrophobicContact CD1-CB 4.27Å; L521-V564 HydrophobicContact CB-CB 4.31Å; L521-V564 HydrophobicContact CB-CG1 3.62Å; L521-I568 HydrophobicContact CB-CD1 4.33Å; L521-I568 HydrophobicContact CD2-CD1 4.25Å |
| 522 | Y | 96.9 | Very high | 92.8 | Very high | 72 Ų | 72 | 36.6 Ų | 36.6 | 28% | 0.282 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65 | -38 | 174.6 | -73.8 | -54.2 | 0 | 0 | 0 | 113.1 | L518 R519 L524 M525 D526 V564 | L518-Y522 HydrophobicContact CD1-CE2 3.92Å; L518-Y522 HydrophobicContact CD2-CE2 3.92Å; L518-Y522 HydrophobicContact CG-CD2 4.01Å; L518-Y522 HydrophobicContact CG-CE2 3.54Å; L518-Y522 WeakPolarHBondContact O-CD2 3.34Å; L518-Y522 PolarHBondContact O-N 3.18Å; R519-Y522 PolarHBondContact O-N 3.46Å; Y522-L524 VanDerWaalsContact C-N 3.32Å; Y522-L524 PolarHBondContact O-N 3.4Å; Y522-M525 HydrophobicContact CD1-CE 3.91Å; Y522-M525 HydrophobicContact CD1-SD 4.37Å; Y522-M525 HydrophobicContact CE1-CE 4.46Å; Y522-M525 WeakPolarHBondContact O-CB 3.37Å; Y522-M525 PolarHBondContact O-N 2.98Å; Y522-D526 PolarHBondContact O-N 2.87Å; Y522-V564 HydrophobicContact CD1-CG1 3.93Å; Y522-V564 HydrophobicContact CD1-CG2 4.14Å; Y522-V564 HydrophobicContact CE1-CB 4.46Å; Y522-V564 HydrophobicContact CE1-CG1 4.06Å; Y522-V564 HydrophobicContact CE1-CG2 3.45Å; Y522-V564 VanDerWaalsContact CE1-CG2 3.45Å; Y522-V564 HydrophobicContact CE2-CG2 4.46Å |
| 523 | L | 97.2 | Very high | 93 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.1 | -46.6 | 172.3 | 171 | 61.7 | 0 | 0 | 0 | 110.9 | V476 L479 Q480 C483 V494 I503 R519 L520 M525 D526 L527 | V476-L523 HydrophobicContact CG1-CD2 4.48Å; L479-L523 HydrophobicContact CB-CD1 4.18Å; L479-L523 HydrophobicContact CB-CD2 4.1Å; L479-L523 HydrophobicContact CD1-CD2 4.39Å; Q480-L523 HydrophobicContact CB-CB 4.38Å; C483-L523 HydrophobicContact CB-CD1 4.1Å; V494-L523 HydrophobicContact CG1-CD1 3.78Å; I503-L523 HydrophobicContact CD1-CD2 4.4Å; R519-L523 WeakPolarHBondContact O-CB 3.3Å; R519-L523 PolarHBondContact O-N 3.12Å; L520-L523 WeakPolarHBondContact O-CB 3.27Å; L520-L523 PolarHBondContact O-N 3.02Å; L523-M525 VanDerWaalsContact C-N 3.31Å; L523-M525 PolarHBondContact O-N 3.06Å; L523-D526 PolarHBondContact O-N 3.35Å; L523-L527 HydrophobicContact CD1-CD1 4.42Å; L523-L527 HydrophobicContact CG-CD1 4.38Å; L523-L527 WeakPolarHBondContact O-CG 3.38Å; L523-L527 PolarHBondContact O-N 3.42Å; L523-L527 VanDerWaalsContact O-N 3.08Å |
| 524 | L | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63 | -38.9 | 177.6 | -176.7 | 57.7 | 0 | 0 | 0 | 112.2 | P500 I503 L520 L521 Y522 L527 L528 I545 I548 I568 | P500-L524 HydrophobicContact CG-CD1 4.31Å; I503-L524 HydrophobicContact CD1-CB 4.4Å; L520-L524 PolarHBondContact O-N 3.35Å; L521-L524 PolarHBondContact O-N 2.75Å; Y522-L524 VanDerWaalsContact C-N 3.32Å; Y522-L524 PolarHBondContact O-N 3.4Å; L524-L527 PolarHBondContact O-N 2.98Å; L524-L528 HydrophobicContact CD1-CD1 4.29Å; L524-L528 HydrophobicContact CG-CD1 4.32Å; L524-L528 WeakPolarHBondContact O-CG 3.13Å; L524-L528 PolarHBondContact O-N 3.25Å; L524-I545 HydrophobicContact CD1-CD1 4.03Å; L524-I545 HydrophobicContact CD1-CG1 3.92Å; L524-I545 HydrophobicContact CD2-CG2 4.26Å; L524-I548 HydrophobicContact CD2-CD1 3.92Å; L524-I548 HydrophobicContact CD2-CG2 4.32Å; L524-I568 HydrophobicContact CB-CD1 4.29Å; L524-I568 HydrophobicContact CD2-CD1 4.04Å; L524-I568 HydrophobicContact CD2-CG2 4.49Å; L524-I568 HydrophobicContact CG-CD1 4.23Å |
| 525 | M | 95.7 | Very high | 93.7 | Very high | 33 Ų | 33 | 31.5 Ų | 31.5 | 16% | 0.163 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 174.7 | -166.4 | -171.9 | 74.1 | 0 | 0 | 111.7 | L521 Y522 L523 L527 L528 V564 M567 I568 H571 | L521-M525 WeakPolarHBondContact O-CB 3.34Å; L521-M525 PolarHBondContact O-N 2.76Å; Y522-M525 HydrophobicContact CD1-CE 3.91Å; Y522-M525 HydrophobicContact CD1-SD 4.37Å; Y522-M525 HydrophobicContact CE1-CE 4.46Å; Y522-M525 WeakPolarHBondContact O-CB 3.37Å; Y522-M525 PolarHBondContact O-N 2.98Å; L523-M525 VanDerWaalsContact C-N 3.31Å; L523-M525 PolarHBondContact O-N 3.06Å; M525-L527 VanDerWaalsContact C-N 3.27Å; M525-L527 PolarHBondContact O-N 3.36Å; M525-L528 PolarHBondContact O-N 3.04Å; M525-V564 HydrophobicContact SD-CG1 4.43Å; M525-M567 HydrophobicContact SD-CB 3.93Å; M525-I568 HydrophobicContact CB-CG1 3.99Å; M525-I568 HydrophobicContact CG-CG1 4.39Å; M525-H571 WeakPolarHBondContact CG-CD2 3.32Å |
| 526 | D | 95.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.4 | -31.2 | -179.7 | -75.3 | -32.4 | 0 | 0 | 0 | 112.3 | Q480 C483 Y522 L523 L528 T529 | Q480-D526 WeakPolarHBondContact CG-OD2 3.29Å; Q480-D526 PolarHBondContact NE2-OD2 3.19Å; Q480-D526 VanDerWaalsContact NE2-OD2 3.15Å; C483-D526 HydrophobicContact CB-CB 4.21Å; C483-D526 VanDerWaalsContact SG-C 3.53Å; Y522-D526 PolarHBondContact O-N 2.87Å; L523-D526 PolarHBondContact O-N 3.35Å; D526-L528 PolarHBondContact O-N 3.38Å; D526-T529 PolarHBondContact O-OG1 3.15Å |
| 527 | L | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.6 | -25.2 | 172.5 | -74.1 | 167.5 | 0 | 0 | 0 | 112.6 | C483 K491 V494 L495 L523 L524 M525 F533 | C483-L527 VanDerWaalsContact SG-CD2 3.55Å; K491-L527 HydrophobicContact CB-CD2 4.23Å; V494-L527 HydrophobicContact CB-CD2 4.32Å; V494-L527 HydrophobicContact CG1-CD2 4.18Å; L495-L527 HydrophobicContact CB-CD2 4.27Å; L495-L527 HydrophobicContact CD1-CD1 4.18Å; L523-L527 HydrophobicContact CD1-CD1 4.42Å; L523-L527 HydrophobicContact CG-CD1 4.38Å; L523-L527 WeakPolarHBondContact O-CG 3.38Å; L523-L527 PolarHBondContact O-N 3.42Å; L523-L527 VanDerWaalsContact O-N 3.08Å; L524-L527 PolarHBondContact O-N 2.98Å; M525-L527 VanDerWaalsContact C-N 3.27Å; M525-L527 PolarHBondContact O-N 3.36Å; L527-F533 WeakPolarHBondContact O-CD1 3.42Å; L527-F533 WeakPolarHBondContact O-CE1 3.37Å |
| 528 | L | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 40.7 | -172.8 | -64.6 | 169 | 0 | 0 | 0 | 113.3 | L524 M525 D526 V534 V537 M538 I545 I568 H571 I572 | L524-L528 HydrophobicContact CD1-CD1 4.29Å; L524-L528 HydrophobicContact CG-CD1 4.32Å; L524-L528 WeakPolarHBondContact O-CG 3.13Å; L524-L528 PolarHBondContact O-N 3.25Å; M525-L528 PolarHBondContact O-N 3.04Å; D526-L528 PolarHBondContact O-N 3.38Å; L528-V534 VanDerWaalsContact C-CG2 3.45Å; L528-V534 HydrophobicContact CB-CG2 4.2Å; L528-V534 HydrophobicContact CD2-CG1 4.36Å; L528-V534 HydrophobicContact CD2-CG2 4.45Å; L528-V534 VanDerWaalsContact O-CG2 3.28Å; L528-V534 WeakPolarHBondContact O-CG2 3.42Å; L528-V537 HydrophobicContact CD2-CB 4.07Å; L528-V537 HydrophobicContact CD2-CG1 3.78Å; L528-M538 HydrophobicContact CD2-CG 4.42Å; L528-M538 HydrophobicContact CD2-SD 4.4Å; L528-I545 HydrophobicContact CD1-CG2 4.33Å; L528-I545 HydrophobicContact CD2-CD1 4.42Å; L528-I568 HydrophobicContact CD1-CG2 3.8Å; L528-H571 HydrophobicContact CB-CB 3.87Å; L528-H571 WeakPolarHBondContact O-CB 3.45Å; L528-H571 VanDerWaalsContact O-CG 3.26Å; L528-H571 PolarHBondContact O-ND1 2.77Å; L528-H571 VanDerWaalsContact O-ND1 3.08Å; L528-I572 HydrophobicContact CD1-CD1 4.49Å; L528-I572 HydrophobicContact CD1-CG1 4.05Å |
| 529 | T | 87.4 | Confident | 93.7 | Very high | 55 Ų | 55 | 32.6 Ų | 32.6 | 34% | 0.337 | 18% | 0.176 | S | C | . | . | trans | -102.5 | -26 | -172 | 42.9 | 0 | 0 | 0 | 0 | 116.2 | K491 D526 | K491-T529 PolarHBondContact NZ-OG1 3.37Å; D526-T529 PolarHBondContact O-OG1 3.15Å | ||
| 530 | N | 82 | Confident | 93.7 | Very high | 64 Ų | 64 | 34 Ų | 34 | 34% | 0.342 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -105.1 | 122.3 | -176.5 | -177.7 | 6.7 | 0 | 0 | 0 | 110.1 | D488 P532 F533 V534 | D488-N530 PolarHBondContact OD1-ND2 3.08Å; D488-N530 PolarHBondContact OD2-ND2 3.08Å; D488-N530 VanDerWaalsContact OD2-ND2 3.1Å; N530-P532 WeakPolarHBondContact OD1-CD 3.09Å; N530-F533 HydrophobicContact CB-CB 3.99Å; N530-F533 CarbonylContact O-C 3.44Å; N530-F533 WeakPolarHBondContact O-CA 3.45Å; N530-F533 VanDerWaalsContact O-CB 3.32Å; N530-F533 WeakPolarHBondContact O-CB 3.4Å; N530-F533 PolarHBondContact O-N 3Å; N530-V534 WeakPolarHBondContact O-CG2 3.28Å; N530-V534 PolarHBondContact O-N 3.29Å |
| 531 | K | 84.9 | Confident | 93.6 | Very high | 80 Ų | 80 | 35.2 Ų | 35.2 | 35% | 0.348 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -50.5 | -51.5 | -168 | -174.3 | 174.6 | -176.9 | 157.3 | 0 | 115 | F533 V534 D535 D574 E619 | K531-F533 VanDerWaalsContact C-N 3.28Å; K531-F533 PolarHBondContact O-N 3.23Å; K531-V534 PolarHBondContact O-N 2.91Å; K531-D535 PolarHBondContact O-N 3.42Å; K531-D574 WeakPolarHBondContact CD-O 3.37Å; K531-D574 WeakPolarHBondContact CE-O 3.35Å; K531-D574 WeakPolarHBondContact CG-O 3.12Å; K531-D574 PolarHBondContact NZ-O 2.86Å; K531-E619 WeakPolarHBondContact CE-OE1 3.41Å; K531-E619 IonicContact NZ-OE1 2.6Å; K531-E619 PolarHBondContact NZ-OE1 3.38Å |
| 532 | P | 88.2 | Confident | 93.6 | Very high | 85 Ų | 85 | 35.3 Ų | 35.3 | 55% | 0.552 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -66.4 | -32.5 | 177.5 | -18.3 | 33.9 | 0 | 0 | 0 | 112.4 | N530 V536 | N530-P532 WeakPolarHBondContact OD1-CD 3.09Å; P532-V536 WeakPolarHBondContact O-CG2 3.27Å; P532-V536 PolarHBondContact O-N 3.46Å |
| 533 | F | 92.6 | Very high | 93.5 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 8% | 0.083 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.7 | -35.9 | 178.5 | -167.4 | -105.9 | 0 | 0 | 0 | 111.8 | D488 K491 L527 N530 K531 D535 V536 V537 | D488-F533 HydrophobicContact CB-CD2 3.75Å; D488-F533 HydrophobicContact CB-CE2 4.04Å; D488-F533 HydrophobicContact CB-CG 4.37Å; K491-F533 HydrophobicContact CB-CD1 4.45Å; K491-F533 HydrophobicContact CB-CE1 3.56Å; K491-F533 HydrophobicContact CB-CZ 3.6Å; K491-F533 HydrophobicContact CD-CD1 4.03Å; K491-F533 HydrophobicContact CD-CE1 3.89Å; K491-F533 HydrophobicContact CG-CE1 4.35Å; L527-F533 WeakPolarHBondContact O-CD1 3.42Å; L527-F533 WeakPolarHBondContact O-CE1 3.37Å; N530-F533 HydrophobicContact CB-CB 3.99Å; N530-F533 CarbonylContact O-C 3.44Å; N530-F533 WeakPolarHBondContact O-CA 3.45Å; N530-F533 VanDerWaalsContact O-CB 3.32Å; N530-F533 WeakPolarHBondContact O-CB 3.4Å; N530-F533 PolarHBondContact O-N 3Å; K531-F533 VanDerWaalsContact C-N 3.28Å; K531-F533 PolarHBondContact O-N 3.23Å; F533-D535 VanDerWaalsContact C-N 3.31Å; F533-D535 PolarHBondContact O-N 3.42Å; F533-V536 PolarHBondContact O-N 3.28Å; F533-V537 HydrophobicContact CD1-CG2 3.75Å; F533-V537 HydrophobicContact CE1-CG2 3.44Å; F533-V537 VanDerWaalsContact CE1-CG2 3.44Å; F533-V537 HydrophobicContact CG-CG2 4.41Å; F533-V537 HydrophobicContact CZ-CG2 3.87Å; F533-V537 VanDerWaalsContact O-CG2 3.31Å; F533-V537 WeakPolarHBondContact O-CG2 3.35Å; F533-V537 PolarHBondContact O-N 2.85Å |
| 534 | V | 95.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.9 | -47.3 | 173.6 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | L528 N530 K531 V536 V537 M538 | L528-V534 VanDerWaalsContact C-CG2 3.45Å; L528-V534 HydrophobicContact CB-CG2 4.2Å; L528-V534 HydrophobicContact CD2-CG1 4.36Å; L528-V534 HydrophobicContact CD2-CG2 4.45Å; L528-V534 VanDerWaalsContact O-CG2 3.28Å; L528-V534 WeakPolarHBondContact O-CG2 3.42Å; N530-V534 WeakPolarHBondContact O-CG2 3.28Å; N530-V534 PolarHBondContact O-N 3.29Å; K531-V534 PolarHBondContact O-N 2.91Å; V534-V536 VanDerWaalsContact C-N 3.34Å; V534-V536 PolarHBondContact O-N 3.44Å; V534-V537 PolarHBondContact O-N 3.36Å; V534-M538 HydrophobicContact CG1-CG 4.22Å; V534-M538 WeakPolarHBondContact O-CB 3.35Å; V534-M538 VanDerWaalsContact O-CG 3.27Å; V534-M538 WeakPolarHBondContact O-CG 3.41Å; V534-M538 PolarHBondContact O-N 3.02Å |
| 535 | D | 94.8 | Very high | 93.6 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 17% | 0.166 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.9 | -43.6 | 177.8 | -76.4 | -46 | 0 | 0 | 0 | 111.9 | K531 F533 M538 S539 G576 T577 S578 | K531-D535 PolarHBondContact O-N 3.42Å; F533-D535 VanDerWaalsContact C-N 3.31Å; F533-D535 PolarHBondContact O-N 3.42Å; D535-M538 PolarHBondContact O-N 2.87Å; D535-S539 WeakPolarHBondContact O-CB 3.47Å; D535-S539 PolarHBondContact O-N 2.88Å; D535-G576 PolarHBondContact OD1-N 3.49Å; D535-G576 VanDerWaalsContact OD1-N 3.11Å; D535-G576 PolarHBondContact OD2-N 2.86Å; D535-T577 VanDerWaalsContact CG-OG1 3.27Å; D535-T577 WeakPolarHBondContact OD1-CA 3.45Å; D535-T577 PolarHBondContact OD1-N 2.95Å; D535-T577 PolarHBondContact OD1-OG1 2.99Å; D535-S578 PolarHBondContact OD1-N 3.39Å; D535-S578 PolarHBondContact OD1-OG 3.38Å |
| 536 | V | 94.1 | Very high | 93.6 | Very high | 85 Ų | 85 | 38.1 Ų | 38.1 | 52% | 0.515 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.9 | -48.2 | 176.5 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | P532 F533 V534 M538 S539 T540 | P532-V536 WeakPolarHBondContact O-CG2 3.27Å; P532-V536 PolarHBondContact O-N 3.46Å; F533-V536 PolarHBondContact O-N 3.28Å; V534-V536 VanDerWaalsContact C-N 3.34Å; V534-V536 PolarHBondContact O-N 3.44Å; V536-M538 PolarHBondContact O-N 3.18Å; V536-S539 PolarHBondContact O-N 3.28Å; V536-S539 PolarHBondContact O-OG 2.97Å; V536-T540 PolarHBondContact O-N 2.94Å; V536-T540 PolarHBondContact O-OG1 3.43Å |
| 537 | V | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 179.6 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | L495 L528 F533 V534 T540 N541 I545 | L495-V537 HydrophobicContact CD1-CG1 4.21Å; L495-V537 HydrophobicContact CD2-CG1 4.45Å; L495-V537 HydrophobicContact CD2-CG2 3.96Å; L528-V537 HydrophobicContact CD2-CB 4.07Å; L528-V537 HydrophobicContact CD2-CG1 3.78Å; F533-V537 HydrophobicContact CD1-CG2 3.75Å; F533-V537 HydrophobicContact CE1-CG2 3.44Å; F533-V537 VanDerWaalsContact CE1-CG2 3.44Å; F533-V537 HydrophobicContact CG-CG2 4.41Å; F533-V537 HydrophobicContact CZ-CG2 3.87Å; F533-V537 VanDerWaalsContact O-CG2 3.31Å; F533-V537 WeakPolarHBondContact O-CG2 3.35Å; F533-V537 PolarHBondContact O-N 2.85Å; V534-V537 PolarHBondContact O-N 3.36Å; V537-T540 PolarHBondContact O-N 3.13Å; V537-T540 PolarHBondContact O-OG1 2.9Å; V537-T540 VanDerWaalsContact O-OG1 3.12Å; V537-N541 WeakPolarHBondContact O-CB 3.47Å; V537-N541 PolarHBondContact O-N 3.32Å; V537-N541 PolarHBondContact O-ND2 3.37Å; V537-I545 HydrophobicContact CG1-CD1 3.74Å |
| 538 | M | 96.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.8 | -34.1 | -178.9 | -70.1 | -59.9 | -63.8 | 0 | 0 | 112.4 | L528 V534 D535 V536 T540 G542 I545 M546 I572 F581 | L528-M538 HydrophobicContact CD2-CG 4.42Å; L528-M538 HydrophobicContact CD2-SD 4.4Å; V534-M538 HydrophobicContact CG1-CG 4.22Å; V534-M538 WeakPolarHBondContact O-CB 3.35Å; V534-M538 VanDerWaalsContact O-CG 3.27Å; V534-M538 WeakPolarHBondContact O-CG 3.41Å; V534-M538 PolarHBondContact O-N 3.02Å; D535-M538 PolarHBondContact O-N 2.87Å; V536-M538 PolarHBondContact O-N 3.18Å; M538-T540 PolarHBondContact O-N 3.17Å; M538-G542 WeakPolarHBondContact O-CA 3.4Å; M538-G542 PolarHBondContact O-N 3.05Å; M538-I545 HydrophobicContact CE-CG2 4.48Å; M538-I545 HydrophobicContact SD-CB 4.17Å; M538-I545 HydrophobicContact SD-CD1 3.67Å; M538-I545 HydrophobicContact SD-CG2 3.96Å; M538-M546 HydrophobicContact CE-CG 4.37Å; M538-M546 HydrophobicContact CE-SD 4.44Å; M538-I572 HydrophobicContact CE-CD1 3.95Å; M538-I572 HydrophobicContact CE-CG1 4.15Å; M538-I572 HydrophobicContact CE-CG2 3.82Å; M538-I572 HydrophobicContact CG-CG1 4.4Å; M538-I572 HydrophobicContact CG-CG2 4.32Å; M538-I572 HydrophobicContact SD-CD1 3.99Å; M538-I572 HydrophobicContact SD-CG1 3.82Å; M538-I572 HydrophobicContact SD-CG2 4.32Å; M538-F581 HydrophobicContact CB-CD2 4.21Å; M538-F581 HydrophobicContact CB-CE2 3.93Å; M538-F581 HydrophobicContact CE-CB 3.95Å; M538-F581 HydrophobicContact CE-CD1 4.05Å; M538-F581 HydrophobicContact CE-CD2 3.75Å; M538-F581 HydrophobicContact CE-CE2 4.26Å; M538-F581 HydrophobicContact CE-CG 3.63Å; M538-F581 WeakPolarHBondContact O-CE2 3.5Å; M538-F581 WeakPolarHBondContact O-CZ 3.49Å |
| 539 | S | 95.4 | Very high | 93.9 | Very high | 86 Ų | 86 | 42.2 Ų | 42.2 | 60% | 0.601 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.3 | -28 | 176 | 74.2 | 0 | 0 | 0 | 0 | 113.5 | D535 V536 | D535-S539 WeakPolarHBondContact O-CB 3.47Å; D535-S539 PolarHBondContact O-N 2.88Å; V536-S539 PolarHBondContact O-N 3.28Å; V536-S539 PolarHBondContact O-OG 2.97Å |
| 540 | T | 94.6 | Very high | 94.3 | Very high | 93 Ų | 93 | 41.4 Ų | 41.4 | 57% | 0.571 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -104.6 | -33.1 | -176 | 45.3 | 0 | 0 | 0 | 0 | 113.3 | V536 V537 M538 | V536-T540 PolarHBondContact O-N 2.94Å; V536-T540 PolarHBondContact O-OG1 3.43Å; V537-T540 PolarHBondContact O-N 3.13Å; V537-T540 PolarHBondContact O-OG1 2.9Å; V537-T540 VanDerWaalsContact O-OG1 3.12Å; M538-T540 PolarHBondContact O-N 3.17Å |
| 541 | N | 96.5 | Very high | 95 | Very high | 27 Ų | 27 | 41.4 Ų | 41.4 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -125.5 | 6.1 | -171.6 | -58.8 | -85.1 | 0 | 0 | 0 | 113.9 | P500 V537 V543 Q544 I545 | P500-N541 HydrophobicContact CB-CB 4.28Å; P500-N541 WeakPolarHBondContact CD-OD1 3.48Å; P500-N541 HydrophobicContact CG-CB 3.73Å; V537-N541 WeakPolarHBondContact O-CB 3.47Å; V537-N541 PolarHBondContact O-N 3.32Å; V537-N541 PolarHBondContact O-ND2 3.37Å; N541-V543 VanDerWaalsContact C-N 3.27Å; N541-V543 PolarHBondContact O-N 3.34Å; N541-Q544 PolarHBondContact O-N 3.36Å; N541-Q544 PolarHBondContact O-OE1 3.24Å; N541-I545 HydrophobicContact CB-CD1 4.09Å; N541-I545 HydrophobicContact CB-CG1 4.39Å; N541-I545 WeakPolarHBondContact O-CG1 3.32Å; N541-I545 PolarHBondContact O-N 2.92Å; N541-I545 VanDerWaalsContact O-N 3.08Å |
| 542 | G | 95.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.7 | -34.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114 | M538 I545 M546 | M538-G542 WeakPolarHBondContact O-CA 3.4Å; M538-G542 PolarHBondContact O-N 3.05Å; G542-I545 PolarHBondContact O-N 3.39Å; G542-M546 WeakPolarHBondContact O-CB 3.43Å; G542-M546 WeakPolarHBondContact O-CG 3.43Å; G542-M546 PolarHBondContact O-N 3.44Å |
| 543 | V | 95.4 | Very high | 96 | Very high | 89 Ų | 89 | 33.7 Ų | 33.7 | 54% | 0.539 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.2 | -50.3 | 177.4 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | N541 M546 Q547 | N541-V543 VanDerWaalsContact C-N 3.27Å; N541-V543 PolarHBondContact O-N 3.34Å; V543-M546 PolarHBondContact O-N 3.43Å; V543-Q547 WeakPolarHBondContact O-CG 3.22Å; V543-Q547 PolarHBondContact O-N 2.89Å |
| 544 | Q | 97 | Very high | 96.1 | Very high | 65 Ų | 65 | 39 Ų | 39 | 30% | 0.304 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.2 | -39.5 | -178.9 | -62.6 | 84.1 | -3.6 | 0 | 0 | 111.4 | P500 N541 M546 Q547 I548 | P500-Q544 HydrophobicContact CB-CB 4.05Å; N541-Q544 PolarHBondContact O-N 3.36Å; N541-Q544 PolarHBondContact O-OE1 3.24Å; Q544-M546 PolarHBondContact O-N 3.47Å; Q544-Q547 WeakPolarHBondContact O-CB 3.27Å; Q544-Q547 PolarHBondContact O-N 3.43Å; Q544-I548 WeakPolarHBondContact O-CG1 3.33Å; Q544-I548 PolarHBondContact O-N 2.96Å |
| 545 | I | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 176.9 | -66.8 | 176.5 | 0 | 0 | 0 | 110.5 | P500 L524 L528 V537 M538 N541 G542 Q547 I548 V549 I568 I572 | P500-I545 HydrophobicContact CB-CD1 4.47Å; P500-I545 HydrophobicContact CB-CG1 3.68Å; P500-I545 HydrophobicContact CG-CD1 3.99Å; P500-I545 HydrophobicContact CG-CG1 3.75Å; L524-I545 HydrophobicContact CD1-CD1 4.03Å; L524-I545 HydrophobicContact CD1-CG1 3.92Å; L524-I545 HydrophobicContact CD2-CG2 4.26Å; L528-I545 HydrophobicContact CD1-CG2 4.33Å; L528-I545 HydrophobicContact CD2-CD1 4.42Å; V537-I545 HydrophobicContact CG1-CD1 3.74Å; M538-I545 HydrophobicContact CE-CG2 4.48Å; M538-I545 HydrophobicContact SD-CB 4.17Å; M538-I545 HydrophobicContact SD-CD1 3.67Å; M538-I545 HydrophobicContact SD-CG2 3.96Å; N541-I545 HydrophobicContact CB-CD1 4.09Å; N541-I545 HydrophobicContact CB-CG1 4.39Å; N541-I545 WeakPolarHBondContact O-CG1 3.32Å; N541-I545 PolarHBondContact O-N 2.92Å; N541-I545 VanDerWaalsContact O-N 3.08Å; G542-I545 PolarHBondContact O-N 3.39Å; I545-Q547 VanDerWaalsContact C-N 3.34Å; I545-Q547 PolarHBondContact O-N 3.4Å; I545-I548 PolarHBondContact O-N 2.91Å; I545-V549 PolarHBondContact O-N 3.14Å; I545-V549 VanDerWaalsContact O-N 3.13Å; I545-I568 HydrophobicContact CG2-CG2 4.24Å; I545-I572 HydrophobicContact CG2-CD1 3.74Å |
| 546 | M | 97.2 | Very high | 95.9 | Very high | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.044 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64 | -39.5 | 177.3 | -68.4 | -55.3 | -66.6 | 0 | 0 | 111.9 | M538 G542 V543 Q544 I548 V549 I550 L569 I572 F581 L582 I588 | M538-M546 HydrophobicContact CE-CG 4.37Å; M538-M546 HydrophobicContact CE-SD 4.44Å; G542-M546 WeakPolarHBondContact O-CB 3.43Å; G542-M546 WeakPolarHBondContact O-CG 3.43Å; G542-M546 PolarHBondContact O-N 3.44Å; V543-M546 PolarHBondContact O-N 3.43Å; Q544-M546 PolarHBondContact O-N 3.47Å; M546-I548 PolarHBondContact O-N 3.03Å; M546-V549 PolarHBondContact O-N 3.36Å; M546-I550 WeakPolarHBondContact O-CB 3.22Å; M546-I550 VanDerWaalsContact O-CG1 3.24Å; M546-I550 WeakPolarHBondContact O-CG1 3.43Å; M546-I550 PolarHBondContact O-N 3.5Å; M546-L569 HydrophobicContact CE-CD2 4.09Å; M546-L569 HydrophobicContact SD-CD2 4.07Å; M546-I572 HydrophobicContact SD-CD1 4.11Å; M546-F581 HydrophobicContact CG-CB 4.15Å; M546-F581 HydrophobicContact CG-CD1 4.19Å; M546-F581 HydrophobicContact SD-CB 4.26Å; M546-L582 HydrophobicContact CE-CD1 4.24Å; M546-L582 HydrophobicContact CE-CG 4.23Å; M546-L582 HydrophobicContact SD-CD1 4.13Å; M546-I588 HydrophobicContact CE-CB 4.36Å; M546-I588 HydrophobicContact CE-CG1 3.73Å; M546-I588 HydrophobicContact CE-CG2 4.21Å |
| 547 | Q | 96.8 | Very high | 95.9 | Very high | 94 Ų | 94 | 40.5 Ų | 40.5 | 44% | 0.439 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 175 | -75.2 | 173.2 | -27.2 | 0 | 0 | 112.5 | L504 V543 Q544 I545 I550 F551 | L504-Q547 HydrophobicContact CD1-CB 4.23Å; L504-Q547 HydrophobicContact CD2-CB 3.94Å; V543-Q547 WeakPolarHBondContact O-CG 3.22Å; V543-Q547 PolarHBondContact O-N 2.89Å; Q544-Q547 WeakPolarHBondContact O-CB 3.27Å; Q544-Q547 PolarHBondContact O-N 3.43Å; I545-Q547 VanDerWaalsContact C-N 3.34Å; I545-Q547 PolarHBondContact O-N 3.4Å; Q547-I550 PolarHBondContact O-N 2.84Å; Q547-F551 VanDerWaalsContact O-CB 3.29Å; Q547-F551 WeakPolarHBondContact O-CB 3.49Å; Q547-F551 PolarHBondContact O-N 3.07Å |
| 548 | I | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -49.7 | 175.7 | -66 | 161.8 | 0 | 0 | 0 | 110.1 | P500 I503 L504 L521 L524 Q544 I545 M546 F551 I552 | P500-I548 HydrophobicContact CB-CD1 4.36Å; P500-I548 WeakPolarHBondContact O-CD1 3.26Å; I503-I548 HydrophobicContact CB-CD1 3.99Å; I503-I548 HydrophobicContact CG2-CD1 3.8Å; L504-I548 HydrophobicContact CB-CD1 4.09Å; L504-I548 HydrophobicContact CB-CG1 3.66Å; L504-I548 HydrophobicContact CD1-CB 4.48Å; L504-I548 HydrophobicContact CD1-CG1 3.69Å; L504-I548 HydrophobicContact CG-CG1 4.23Å; L521-I548 HydrophobicContact CD2-CG2 3.71Å; L524-I548 HydrophobicContact CD2-CD1 3.92Å; L524-I548 HydrophobicContact CD2-CG2 4.32Å; Q544-I548 WeakPolarHBondContact O-CG1 3.33Å; Q544-I548 PolarHBondContact O-N 2.96Å; I545-I548 PolarHBondContact O-N 2.91Å; M546-I548 PolarHBondContact O-N 3.03Å; I548-F551 PolarHBondContact O-N 2.96Å; I548-I552 WeakPolarHBondContact O-CG1 3.27Å; I548-I552 PolarHBondContact O-N 3.27Å |
| 549 | V | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.4 | -48.5 | -178.7 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | I545 M546 F551 I552 L553 A565 I568 L569 | I545-V549 PolarHBondContact O-N 3.14Å; I545-V549 VanDerWaalsContact O-N 3.13Å; M546-V549 PolarHBondContact O-N 3.36Å; V549-F551 VanDerWaalsContact C-N 3.32Å; V549-F551 PolarHBondContact O-N 2.95Å; V549-I552 PolarHBondContact O-N 3.03Å; V549-L553 HydrophobicContact CG1-CD1 3.64Å; V549-L553 HydrophobicContact CG1-CG 4.05Å; V549-L553 WeakPolarHBondContact O-CB 3.49Å; V549-L553 VanDerWaalsContact O-CG 3.27Å; V549-L553 WeakPolarHBondContact O-CG 3.5Å; V549-L553 PolarHBondContact O-N 3.08Å; V549-A565 HydrophobicContact CG1-CB 4.34Å; V549-I568 HydrophobicContact CG2-CB 4.21Å; V549-I568 HydrophobicContact CG2-CG2 3.74Å; V549-L569 HydrophobicContact CB-CD2 4.44Å; V549-L569 HydrophobicContact CG1-CD1 3.95Å; V549-L569 HydrophobicContact CG1-CD2 3.81Å; V549-L569 HydrophobicContact CG1-CG 3.79Å; V549-L569 HydrophobicContact CG2-CD2 4.38Å |
| 550 | I | 96 | Very high | 95.8 | Very high | 38 Ų | 38 | 47.4 Ų | 47.4 | 20% | 0.195 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.3 | -49.3 | 177.9 | -68.9 | 165.1 | 0 | 0 | 0 | 110.1 | M546 Q547 I552 L553 E554 I588 | M546-I550 WeakPolarHBondContact O-CB 3.22Å; M546-I550 VanDerWaalsContact O-CG1 3.24Å; M546-I550 WeakPolarHBondContact O-CG1 3.43Å; M546-I550 PolarHBondContact O-N 3.5Å; Q547-I550 PolarHBondContact O-N 2.84Å; I550-I552 VanDerWaalsContact C-N 3.32Å; I550-I552 PolarHBondContact O-N 3.21Å; I550-L553 PolarHBondContact O-N 2.87Å; I550-E554 HydrophobicContact CG2-CG 4.19Å; I550-E554 WeakPolarHBondContact O-CB 3.42Å; I550-E554 WeakPolarHBondContact O-CG 3.46Å; I550-E554 PolarHBondContact O-N 3.01Å; I550-I588 HydrophobicContact CD1-CD1 4.32Å; I550-I588 HydrophobicContact CD1-CG1 4.2Å; I550-I588 HydrophobicContact CG1-CD1 3.45Å; I550-I588 VanDerWaalsContact CG1-CD1 3.45Å; I550-I588 HydrophobicContact CG1-CG1 3.88Å |
| 551 | F | 96.1 | Very high | 95.9 | Very high | 65 Ų | 65 | 43.1 Ų | 43.1 | 29% | 0.285 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.4 | -43.9 | 179.8 | -177.3 | -101.7 | 0 | 0 | 0 | 112.5 | V507 T508 Q547 I548 V549 G555 F557 | V507-F551 HydrophobicContact CG1-CD1 3.8Å; V507-F551 HydrophobicContact CG1-CE1 3.91Å; T508-F551 HydrophobicContact CG2-CD1 4.25Å; T508-F551 HydrophobicContact CG2-CD2 4.21Å; T508-F551 HydrophobicContact CG2-CE1 4.11Å; T508-F551 HydrophobicContact CG2-CE2 4.09Å; T508-F551 HydrophobicContact CG2-CG 4.29Å; T508-F551 HydrophobicContact CG2-CZ 4.04Å; Q547-F551 VanDerWaalsContact O-CB 3.29Å; Q547-F551 WeakPolarHBondContact O-CB 3.49Å; Q547-F551 PolarHBondContact O-N 3.07Å; I548-F551 PolarHBondContact O-N 2.96Å; V549-F551 VanDerWaalsContact C-N 3.32Å; V549-F551 PolarHBondContact O-N 2.95Å; F551-G555 WeakPolarHBondContact O-CA 3.44Å; F551-G555 PolarHBondContact O-N 3.39Å; F551-F557 AromaticContact CD1-CE2 3.99Å; F551-F557 HydrophobicContact CD1-CE2 3.99Å; F551-F557 HydrophobicContact CD1-CZ 4.15Å; F551-F557 AromaticContact CE1-CE2 3.8Å; F551-F557 HydrophobicContact CE1-CE2 3.8Å; F551-F557 AromaticContact CE1-CZ 3.65Å; F551-F557 HydrophobicContact CE1-CZ 3.65Å; F551-F557 HydrophobicContact CZ-CZ 4.47Å |
| 552 | I | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.3 | -43.5 | 177.3 | -64 | -62.3 | 0 | 0 | 0 | 112.1 | V507 V517 L521 I548 V549 I550 F557 A561 K562 A565 | V507-I552 HydrophobicContact CG1-CD1 3.67Å; V507-I552 HydrophobicContact CG1-CG1 4.43Å; V517-I552 HydrophobicContact CG1-CD1 4.08Å; L521-I552 HydrophobicContact CD1-CD1 4.15Å; L521-I552 HydrophobicContact CD1-CG1 4.08Å; L521-I552 HydrophobicContact CD1-CG2 4.38Å; L521-I552 HydrophobicContact CD2-CG1 4.03Å; I548-I552 WeakPolarHBondContact O-CG1 3.27Å; I548-I552 PolarHBondContact O-N 3.27Å; V549-I552 PolarHBondContact O-N 3.03Å; I550-I552 VanDerWaalsContact C-N 3.32Å; I550-I552 PolarHBondContact O-N 3.21Å; I552-F557 HydrophobicContact CB-CD2 4.42Å; I552-F557 HydrophobicContact CD1-CD1 4Å; I552-F557 HydrophobicContact CD1-CD2 3.91Å; I552-F557 HydrophobicContact CD1-CE1 3.8Å; I552-F557 HydrophobicContact CD1-CE2 3.71Å; I552-F557 HydrophobicContact CD1-CG 4.05Å; I552-F557 HydrophobicContact CD1-CZ 3.66Å; I552-F557 HydrophobicContact CG2-CB 4.35Å; I552-F557 HydrophobicContact CG2-CD2 4.37Å; I552-F557 HydrophobicContact CG2-CG 4.36Å; I552-F557 WeakPolarHBondContact O-CD2 3.48Å; I552-A561 HydrophobicContact CG2-CB 4.15Å; I552-K562 HydrophobicContact CG2-CG 4.35Å; I552-K562 WeakPolarHBondContact O-CE 3.18Å; I552-A565 HydrophobicContact CB-CB 4.01Å; I552-A565 HydrophobicContact CG2-CB 3.69Å |
| 553 | L | 96.5 | Very high | 96 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.1 | -32.7 | -176.2 | -65.9 | -176.2 | 0 | 0 | 0 | 112.4 | V549 I550 K562 A565 L566 L569 I588 K591 Y595 | V549-L553 HydrophobicContact CG1-CD1 3.64Å; V549-L553 HydrophobicContact CG1-CG 4.05Å; V549-L553 WeakPolarHBondContact O-CB 3.49Å; V549-L553 VanDerWaalsContact O-CG 3.27Å; V549-L553 WeakPolarHBondContact O-CG 3.5Å; V549-L553 PolarHBondContact O-N 3.08Å; I550-L553 PolarHBondContact O-N 2.87Å; L553-K562 HydrophobicContact CD2-CB 4.22Å; L553-K562 HydrophobicContact CD2-CG 4.3Å; L553-A565 HydrophobicContact CD2-CB 3.79Å; L553-A565 HydrophobicContact CG-CB 4.15Å; L553-L566 HydrophobicContact CD1-CD2 4Å; L553-L566 HydrophobicContact CD2-CD2 4.09Å; L553-L566 HydrophobicContact CD2-CG 3.97Å; L553-L569 HydrophobicContact CD1-CD1 4.25Å; L553-I588 HydrophobicContact CD1-CD1 4.45Å; L553-K591 HydrophobicContact CB-CG 4.11Å; L553-K591 HydrophobicContact CD1-CG 4.05Å; L553-K591 WeakPolarHBondContact O-CE 3.43Å; L553-K591 PolarHBondContact O-NZ 2.91Å; L553-Y595 HydrophobicContact CB-CE2 4.22Å; L553-Y595 HydrophobicContact CD1-CE2 4.41Å; L553-Y595 HydrophobicContact CD2-CE2 3.79Å; L553-Y595 HydrophobicContact CG-CE2 4.35Å; L553-Y595 PolarHBondContact O-OH 3.39Å; L553-Y595 VanDerWaalsContact O-OH 3.09Å |
| 554 | E | 94.1 | Very high | 96.1 | Very high | 130 Ų | 130 | 41.1 Ų | 41.1 | 61% | 0.607 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -84.4 | -31 | 176.9 | -66.8 | -175.2 | 168.1 | 0 | 0 | 112.9 | I550 | I550-E554 HydrophobicContact CG2-CG 4.19Å; I550-E554 WeakPolarHBondContact O-CB 3.42Å; I550-E554 WeakPolarHBondContact O-CG 3.46Å; I550-E554 PolarHBondContact O-N 3.01Å |
| 555 | G | 93.1 | Very high | 96.1 | Very high | 14 Ų | 14 | 38 Ų | 38 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 169.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | F551 F557 K562 | F551-G555 WeakPolarHBondContact O-CA 3.44Å; F551-G555 PolarHBondContact O-N 3.39Å; G555-F557 PolarHBondContact O-N 3.44Å; G555-K562 VanDerWaalsContact O-CE 3.32Å; G555-K562 WeakPolarHBondContact O-CE 3.48Å; G555-K562 PolarHBondContact O-NZ 3.27Å |
| 556 | P | 92.8 | Very high | 96.1 | Very high | 123 Ų | 123 | 38 Ų | 38 | 80% | 0.799 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 38.8 | 178 | 35.5 | -37.1 | 0 | 0 | 0 | 112.6 | ||
| 557 | F | 95.6 | Very high | 96.1 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 5% | 0.053 | 21% | 0.206 | C | C | . | . | trans | -82.2 | 155.7 | 178.6 | -65 | -84.1 | 0 | 0 | 0 | 112.5 | V517 F551 I552 G555 A561 K562 | V517-F557 HydrophobicContact CG1-CE1 4.32Å; F551-F557 AromaticContact CD1-CE2 3.99Å; F551-F557 HydrophobicContact CD1-CE2 3.99Å; F551-F557 HydrophobicContact CD1-CZ 4.15Å; F551-F557 AromaticContact CE1-CE2 3.8Å; F551-F557 HydrophobicContact CE1-CE2 3.8Å; F551-F557 AromaticContact CE1-CZ 3.65Å; F551-F557 HydrophobicContact CE1-CZ 3.65Å; F551-F557 HydrophobicContact CZ-CZ 4.47Å; I552-F557 HydrophobicContact CB-CD2 4.42Å; I552-F557 HydrophobicContact CD1-CD1 4Å; I552-F557 HydrophobicContact CD1-CD2 3.91Å; I552-F557 HydrophobicContact CD1-CE1 3.8Å; I552-F557 HydrophobicContact CD1-CE2 3.71Å; I552-F557 HydrophobicContact CD1-CG 4.05Å; I552-F557 HydrophobicContact CD1-CZ 3.66Å; I552-F557 HydrophobicContact CG2-CB 4.35Å; I552-F557 HydrophobicContact CG2-CD2 4.37Å; I552-F557 HydrophobicContact CG2-CG 4.36Å; I552-F557 WeakPolarHBondContact O-CD2 3.48Å; G555-F557 PolarHBondContact O-N 3.44Å; F557-A561 HydrophobicContact CB-CB 3.99Å; F557-A561 HydrophobicContact CD1-CB 4.49Å; F557-K562 WeakPolarHBondContact O-CD 3.14Å; F557-K562 VanDerWaalsContact O-CE 3.27Å; F557-K562 WeakPolarHBondContact O-CE 3.45Å; F557-K562 PolarHBondContact O-NZ 3.05Å; F557-K562 VanDerWaalsContact O-NZ 3.12Å | ||
| 558 | S | 94.8 | Very high | 96.2 | Very high | 36 Ų | 36 | 35.8 Ų | 35.8 | 25% | 0.252 | 19% | 0.185 | S | C | . | . | trans | -60.4 | 161.5 | 177.2 | 65 | 0 | 0 | 0 | 0 | 113 | D513 Y560 A561 K562 | D513-S558 VanDerWaalsContact CG-CB 3.48Å; D513-S558 VanDerWaalsContact CG-N 3.28Å; D513-S558 VanDerWaalsContact CG-OG 3.31Å; D513-S558 VanDerWaalsContact OD1-CB 3.31Å; D513-S558 WeakPolarHBondContact OD1-CB 3.45Å; D513-S558 PolarHBondContact OD1-N 2.87Å; D513-S558 PolarHBondContact OD1-OG 3.27Å; D513-S558 VanDerWaalsContact OD2-CB 3.26Å; D513-S558 WeakPolarHBondContact OD2-CB 3.31Å; D513-S558 PolarHBondContact OD2-N 2.85Å; S558-Y560 PolarHBondContact O-N 3.24Å; S558-A561 PolarHBondContact O-N 3.16Å; S558-A561 PolarHBondContact OG-N 2.93Å; S558-K562 WeakPolarHBondContact O-CG 3.49Å; S558-K562 PolarHBondContact O-N 2.77Å; S558-K562 VanDerWaalsContact O-N 3.07Å | ||
| 559 | V | 95.3 | Very high | 96.2 | Very high | 55 Ų | 55 | 35.8 Ų | 35.8 | 33% | 0.333 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -55.7 | -35.9 | 171.5 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | K562 E563 C600 L603 | V559-K562 PolarHBondContact O-N 3.28Å; V559-E563 VanDerWaalsContact O-CB 3.3Å; V559-E563 WeakPolarHBondContact O-CB 3.43Å; V559-E563 PolarHBondContact O-N 3.47Å; V559-C600 WeakPolarHBondContact CG1-SG 3.26Å; V559-L603 HydrophobicContact CG1-CD1 4.24Å; V559-L603 HydrophobicContact CG1-CD2 4.21Å; V559-L603 HydrophobicContact CG1-CG 4.13Å |
| 560 | Y | 94.9 | Very high | 96.2 | Very high | 142 Ų | 142 | 36.6 Ų | 36.6 | 56% | 0.557 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -66.8 | -47.8 | -180 | -62.6 | -71.9 | 0 | 0 | 0 | 112.4 | S558 K562 E563 V564 | S558-Y560 PolarHBondContact O-N 3.24Å; Y560-K562 VanDerWaalsContact C-N 3.31Å; Y560-K562 PolarHBondContact O-N 3.36Å; Y560-E563 WeakPolarHBondContact O-CB 3.25Å; Y560-E563 PolarHBondContact O-N 3.13Å; Y560-V564 WeakPolarHBondContact O-CG2 3.3Å; Y560-V564 PolarHBondContact O-N 3.1Å; Y560-V564 VanDerWaalsContact O-N 3.11Å |
| 561 | A | 96.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.5 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L521 I552 F557 S558 V564 A565 | L521-A561 HydrophobicContact CD1-CB 4.27Å; I552-A561 HydrophobicContact CG2-CB 4.15Å; F557-A561 HydrophobicContact CB-CB 3.99Å; F557-A561 HydrophobicContact CD1-CB 4.49Å; S558-A561 PolarHBondContact O-N 3.16Å; S558-A561 PolarHBondContact OG-N 2.93Å; A561-V564 PolarHBondContact O-N 2.97Å; A561-A565 PolarHBondContact O-N 3.02Å |
| 562 | K | 97.2 | Very high | 96.2 | Very high | 32 Ų | 32 | 33.9 Ų | 33.9 | 14% | 0.139 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.4 | -37.7 | 176 | -71.7 | 172.9 | 171 | 166.1 | 0 | 112.5 | I552 L553 G555 F557 S558 V559 Y560 A565 L566 Y595 L603 | I552-K562 HydrophobicContact CG2-CG 4.35Å; I552-K562 WeakPolarHBondContact O-CE 3.18Å; L553-K562 HydrophobicContact CD2-CB 4.22Å; L553-K562 HydrophobicContact CD2-CG 4.3Å; G555-K562 VanDerWaalsContact O-CE 3.32Å; G555-K562 WeakPolarHBondContact O-CE 3.48Å; G555-K562 PolarHBondContact O-NZ 3.27Å; F557-K562 WeakPolarHBondContact O-CD 3.14Å; F557-K562 VanDerWaalsContact O-CE 3.27Å; F557-K562 WeakPolarHBondContact O-CE 3.45Å; F557-K562 PolarHBondContact O-NZ 3.05Å; F557-K562 VanDerWaalsContact O-NZ 3.12Å; S558-K562 WeakPolarHBondContact O-CG 3.49Å; S558-K562 PolarHBondContact O-N 2.77Å; S558-K562 VanDerWaalsContact O-N 3.07Å; V559-K562 PolarHBondContact O-N 3.28Å; Y560-K562 VanDerWaalsContact C-N 3.31Å; Y560-K562 PolarHBondContact O-N 3.36Å; K562-A565 PolarHBondContact O-N 2.74Å; K562-L566 WeakPolarHBondContact O-CG 3.27Å; K562-L566 PolarHBondContact O-N 3.21Å; K562-Y595 WeakPolarHBondContact CD-OH 3.45Å; K562-L603 HydrophobicContact CB-CD2 4.05Å |
| 563 | E | 97 | Very high | 96.2 | Very high | 40 Ų | 40 | 33.9 Ų | 33.9 | 19% | 0.187 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 173.3 | 179.4 | -179.8 | -165.1 | 0 | 0 | 110.7 | V559 Y560 A565 L566 M567 R602 L603 | V559-E563 VanDerWaalsContact O-CB 3.3Å; V559-E563 WeakPolarHBondContact O-CB 3.43Å; V559-E563 PolarHBondContact O-N 3.47Å; Y560-E563 WeakPolarHBondContact O-CB 3.25Å; Y560-E563 PolarHBondContact O-N 3.13Å; E563-A565 PolarHBondContact O-N 3.29Å; E563-L566 PolarHBondContact O-N 2.92Å; E563-M567 WeakPolarHBondContact O-CG 3.3Å; E563-M567 PolarHBondContact O-N 3.41Å; E563-R602 HydrophobicContact CG-CB 4.32Å; E563-R602 IonicContact OE1-NH1 3.35Å; E563-R602 PolarHBondContact OE1-NH1 2.91Å; E563-R602 WeakPolarHBondContact OE2-CD 3.48Å; E563-R602 IonicContact OE2-CZ 2.77Å; E563-R602 IonicContact OE2-NH1 3.34Å; E563-R602 PolarHBondContact OE2-NH1 3.38Å; E563-L603 HydrophobicContact CB-CD2 3.86Å |
| 564 | V | 96.8 | Very high | 96 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.1 | -39.9 | 178.7 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | L518 L521 Y522 M525 Y560 A561 L566 M567 I568 | L518-V564 HydrophobicContact CD1-CG2 3.9Å; L521-V564 HydrophobicContact CB-CB 4.31Å; L521-V564 HydrophobicContact CB-CG1 3.62Å; Y522-V564 HydrophobicContact CD1-CG1 3.93Å; Y522-V564 HydrophobicContact CD1-CG2 4.14Å; Y522-V564 HydrophobicContact CE1-CB 4.46Å; Y522-V564 HydrophobicContact CE1-CG1 4.06Å; Y522-V564 HydrophobicContact CE1-CG2 3.45Å; Y522-V564 VanDerWaalsContact CE1-CG2 3.45Å; Y522-V564 HydrophobicContact CE2-CG2 4.46Å; M525-V564 HydrophobicContact SD-CG1 4.43Å; Y560-V564 WeakPolarHBondContact O-CG2 3.3Å; Y560-V564 PolarHBondContact O-N 3.1Å; Y560-V564 VanDerWaalsContact O-N 3.11Å; A561-V564 PolarHBondContact O-N 2.97Å; V564-L566 VanDerWaalsContact C-N 3.33Å; V564-L566 PolarHBondContact O-N 3.44Å; V564-M567 WeakPolarHBondContact O-CB 3.33Å; V564-M567 PolarHBondContact O-N 3.4Å; V564-M567 VanDerWaalsContact O-N 3.14Å; V564-I568 HydrophobicContact CG1-CD1 4.41Å; V564-I568 WeakPolarHBondContact O-CG1 3.46Å; V564-I568 PolarHBondContact O-N 2.95Å |
| 565 | A | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.1 | -39.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V549 I552 L553 A561 K562 E563 I568 L569 | V549-A565 HydrophobicContact CG1-CB 4.34Å; I552-A565 HydrophobicContact CB-CB 4.01Å; I552-A565 HydrophobicContact CG2-CB 3.69Å; L553-A565 HydrophobicContact CD2-CB 3.79Å; L553-A565 HydrophobicContact CG-CB 4.15Å; A561-A565 PolarHBondContact O-N 3.02Å; K562-A565 PolarHBondContact O-N 2.74Å; E563-A565 PolarHBondContact O-N 3.29Å; A565-I568 WeakPolarHBondContact O-CB 3.49Å; A565-I568 PolarHBondContact O-N 3.49Å; A565-L569 PolarHBondContact O-N 2.94Å |
| 566 | L | 98.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.8 | -35.3 | 172.9 | -66.8 | 170.6 | 0 | 0 | 0 | 112.2 | L553 K562 E563 V564 I568 L569 V570 Y595 L603 A606 | L553-L566 HydrophobicContact CD1-CD2 4Å; L553-L566 HydrophobicContact CD2-CD2 4.09Å; L553-L566 HydrophobicContact CD2-CG 3.97Å; K562-L566 WeakPolarHBondContact O-CG 3.27Å; K562-L566 PolarHBondContact O-N 3.21Å; E563-L566 PolarHBondContact O-N 2.92Å; V564-L566 VanDerWaalsContact C-N 3.33Å; V564-L566 PolarHBondContact O-N 3.44Å; L566-I568 VanDerWaalsContact C-N 3.31Å; L566-I568 PolarHBondContact O-N 3.39Å; L566-L569 HydrophobicContact CD2-CD1 4.2Å; L566-L569 WeakPolarHBondContact O-CB 3.48Å; L566-L569 PolarHBondContact O-N 3.16Å; L566-L569 VanDerWaalsContact O-N 3.13Å; L566-V570 PolarHBondContact O-N 2.88Å; L566-Y595 HydrophobicContact CD1-CD2 4.14Å; L566-Y595 HydrophobicContact CD1-CG 4.07Å; L566-Y595 HydrophobicContact CD2-CD2 4.01Å; L566-L603 HydrophobicContact CD1-CB 4Å; L566-L603 HydrophobicContact CD1-CD2 3.93Å; L566-A606 HydrophobicContact CB-CB 3.51Å; L566-A606 HydrophobicContact CD1-CB 3.98Å; L566-A606 HydrophobicContact CG-CB 4.39Å |
| 567 | M | 97.3 | Very high | 95.8 | Very high | 55 Ų | 55 | 29.8 Ų | 29.8 | 27% | 0.271 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.1 | -36.7 | 172.6 | -72.5 | -66.6 | 103.1 | 0 | 0 | 112.2 | M525 E563 V564 L569 V570 H571 A606 | M525-M567 HydrophobicContact SD-CB 3.93Å; E563-M567 WeakPolarHBondContact O-CG 3.3Å; E563-M567 PolarHBondContact O-N 3.41Å; V564-M567 WeakPolarHBondContact O-CB 3.33Å; V564-M567 PolarHBondContact O-N 3.4Å; V564-M567 VanDerWaalsContact O-N 3.14Å; M567-L569 VanDerWaalsContact C-N 3.3Å; M567-L569 PolarHBondContact O-N 3.31Å; M567-V570 HydrophobicContact CE-CG2 3.84Å; M567-V570 WeakPolarHBondContact O-CB 3.3Å; M567-V570 PolarHBondContact O-N 3.05Å; M567-V570 VanDerWaalsContact O-N 3.14Å; M567-H571 PolarHBondContact O-CD2 3.44Å; M567-H571 PolarHBondContact O-N 3.34Å; M567-A606 HydrophobicContact CE-CB 3.17Å |
| 568 | I | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 171 | -70.4 | 159 | 0 | 0 | 0 | 110.4 | L521 L524 M525 L528 I545 V549 V564 A565 L566 V570 H571 I572 | L521-I568 HydrophobicContact CB-CD1 4.33Å; L521-I568 HydrophobicContact CD2-CD1 4.25Å; L524-I568 HydrophobicContact CB-CD1 4.29Å; L524-I568 HydrophobicContact CD2-CD1 4.04Å; L524-I568 HydrophobicContact CD2-CG2 4.49Å; L524-I568 HydrophobicContact CG-CD1 4.23Å; M525-I568 HydrophobicContact CB-CG1 3.99Å; M525-I568 HydrophobicContact CG-CG1 4.39Å; L528-I568 HydrophobicContact CD1-CG2 3.8Å; I545-I568 HydrophobicContact CG2-CG2 4.24Å; V549-I568 HydrophobicContact CG2-CB 4.21Å; V549-I568 HydrophobicContact CG2-CG2 3.74Å; V564-I568 HydrophobicContact CG1-CD1 4.41Å; V564-I568 WeakPolarHBondContact O-CG1 3.46Å; V564-I568 PolarHBondContact O-N 2.95Å; A565-I568 WeakPolarHBondContact O-CB 3.49Å; A565-I568 PolarHBondContact O-N 3.49Å; L566-I568 VanDerWaalsContact C-N 3.31Å; L566-I568 PolarHBondContact O-N 3.39Å; I568-V570 VanDerWaalsContact C-N 3.34Å; I568-V570 PolarHBondContact O-N 3.28Å; I568-H571 WeakPolarHBondContact O-CB 3.02Å; I568-H571 PolarHBondContact O-N 3.37Å; I568-I572 HydrophobicContact CG2-CD1 3.86Å; I568-I572 HydrophobicContact CG2-CG1 4.46Å; I568-I572 VanDerWaalsContact O-CG1 3.27Å; I568-I572 WeakPolarHBondContact O-CG1 3.32Å; I568-I572 PolarHBondContact O-N 2.85Å |
| 569 | L | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.8 | -37.4 | 174.2 | -64 | -178.5 | 0 | 0 | 0 | 112.8 | M546 V549 L553 A565 L566 M567 H571 I572 T573 L582 I588 I592 | M546-L569 HydrophobicContact CE-CD2 4.09Å; M546-L569 HydrophobicContact SD-CD2 4.07Å; V549-L569 HydrophobicContact CB-CD2 4.44Å; V549-L569 HydrophobicContact CG1-CD1 3.95Å; V549-L569 HydrophobicContact CG1-CD2 3.81Å; V549-L569 HydrophobicContact CG1-CG 3.79Å; V549-L569 HydrophobicContact CG2-CD2 4.38Å; L553-L569 HydrophobicContact CD1-CD1 4.25Å; A565-L569 PolarHBondContact O-N 2.94Å; L566-L569 HydrophobicContact CD2-CD1 4.2Å; L566-L569 WeakPolarHBondContact O-CB 3.48Å; L566-L569 PolarHBondContact O-N 3.16Å; L566-L569 VanDerWaalsContact O-N 3.13Å; M567-L569 VanDerWaalsContact C-N 3.3Å; M567-L569 PolarHBondContact O-N 3.31Å; L569-H571 VanDerWaalsContact C-N 3.3Å; L569-H571 PolarHBondContact O-N 3.48Å; L569-I572 HydrophobicContact CD2-CD1 4.2Å; L569-I572 PolarHBondContact O-N 2.78Å; L569-T573 WeakPolarHBondContact O-CB 3.34Å; L569-T573 WeakPolarHBondContact O-CG2 3.5Å; L569-T573 PolarHBondContact O-N 3.36Å; L569-T573 PolarHBondContact O-OG1 3.22Å; L569-L582 HydrophobicContact CB-CD2 4.11Å; L569-L582 HydrophobicContact CD2-CD1 4.21Å; L569-L582 HydrophobicContact CD2-CD2 4.01Å; L569-L582 HydrophobicContact CD2-CG 4.15Å; L569-L582 HydrophobicContact CG-CD2 4.45Å; L569-I588 HydrophobicContact CD1-CG2 4.18Å; L569-I592 HydrophobicContact CD1-CD1 4.24Å; L569-I592 HydrophobicContact CD1-CG1 4.28Å |
| 570 | V | 97.1 | Very high | 95.8 | Very high | 18 Ų | 18 | 28.7 Ų | 28.7 | 11% | 0.109 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 173.7 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | L566 M567 I568 T573 D574 A606 R609 C610 N613 | L566-V570 PolarHBondContact O-N 2.88Å; M567-V570 HydrophobicContact CE-CG2 3.84Å; M567-V570 WeakPolarHBondContact O-CB 3.3Å; M567-V570 PolarHBondContact O-N 3.05Å; M567-V570 VanDerWaalsContact O-N 3.14Å; I568-V570 VanDerWaalsContact C-N 3.34Å; I568-V570 PolarHBondContact O-N 3.28Å; V570-T573 WeakPolarHBondContact CA-OG1 3.37Å; V570-T573 PolarHBondContact O-N 3.29Å; V570-T573 PolarHBondContact O-OG1 2.97Å; V570-D574 PolarHBondContact O-N 3.32Å; V570-A606 VanDerWaalsContact CG2-O 3.28Å; V570-A606 WeakPolarHBondContact CG2-O 3.37Å; V570-R609 HydrophobicContact CB-CG 4.36Å; V570-R609 HydrophobicContact CG1-CB 4.47Å; V570-R609 HydrophobicContact CG1-CG 3.53Å; V570-R609 HydrophobicContact CG2-CB 3.85Å; V570-R609 HydrophobicContact CG2-CG 3.83Å; V570-C610 HydrophobicContact CG2-CB 4.13Å; V570-N613 PolarHBondContact O-ND2 3.06Å; V570-N613 VanDerWaalsContact O-ND2 3.12Å |
| 571 | H | 96.4 | Very high | 95.8 | Very high | 46 Ų | 46 | 25 Ų | 25 | 21% | 0.213 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 176.6 | -81.9 | -60.3 | 0 | 0 | 0 | 112.9 | M525 L528 M567 I568 L569 T573 D574 | M525-H571 WeakPolarHBondContact CG-CD2 3.32Å; L528-H571 HydrophobicContact CB-CB 3.87Å; L528-H571 WeakPolarHBondContact O-CB 3.45Å; L528-H571 VanDerWaalsContact O-CG 3.26Å; L528-H571 PolarHBondContact O-ND1 2.77Å; L528-H571 VanDerWaalsContact O-ND1 3.08Å; M567-H571 PolarHBondContact O-CD2 3.44Å; M567-H571 PolarHBondContact O-N 3.34Å; I568-H571 WeakPolarHBondContact O-CB 3.02Å; I568-H571 PolarHBondContact O-N 3.37Å; L569-H571 VanDerWaalsContact C-N 3.3Å; L569-H571 PolarHBondContact O-N 3.48Å; H571-T573 VanDerWaalsContact C-N 3.28Å; H571-T573 PolarHBondContact O-N 3.44Å; H571-D574 WeakPolarHBondContact O-CB 3.36Å; H571-D574 PolarHBondContact O-N 3.41Å |
| 572 | I | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 174.6 | -65.8 | 165.2 | 0 | 0 | 0 | 110.5 | L528 M538 I545 M546 I568 L569 D574 G575 S578 L582 | L528-I572 HydrophobicContact CD1-CD1 4.49Å; L528-I572 HydrophobicContact CD1-CG1 4.05Å; M538-I572 HydrophobicContact CE-CD1 3.95Å; M538-I572 HydrophobicContact CE-CG1 4.15Å; M538-I572 HydrophobicContact CE-CG2 3.82Å; M538-I572 HydrophobicContact CG-CG1 4.4Å; M538-I572 HydrophobicContact CG-CG2 4.32Å; M538-I572 HydrophobicContact SD-CD1 3.99Å; M538-I572 HydrophobicContact SD-CG1 3.82Å; M538-I572 HydrophobicContact SD-CG2 4.32Å; I545-I572 HydrophobicContact CG2-CD1 3.74Å; M546-I572 HydrophobicContact SD-CD1 4.11Å; I568-I572 HydrophobicContact CG2-CD1 3.86Å; I568-I572 HydrophobicContact CG2-CG1 4.46Å; I568-I572 VanDerWaalsContact O-CG1 3.27Å; I568-I572 WeakPolarHBondContact O-CG1 3.32Å; I568-I572 PolarHBondContact O-N 2.85Å; L569-I572 HydrophobicContact CD2-CD1 4.2Å; L569-I572 PolarHBondContact O-N 2.78Å; I572-D574 VanDerWaalsContact C-N 3.26Å; I572-D574 PolarHBondContact O-N 2.93Å; I572-G575 PolarHBondContact O-N 3.1Å; I572-S578 WeakPolarHBondContact CG2-O 3.32Å; I572-S578 WeakPolarHBondContact O-CB 3.44Å; I572-S578 PolarHBondContact O-OG 2.96Å; I572-L582 HydrophobicContact CB-CD1 4.13Å; I572-L582 HydrophobicContact CG2-CD1 3.39Å |
| 573 | T | 95.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -77.1 | -10.2 | 179.6 | 51.5 | 0 | 0 | 0 | 0 | 114.1 | L569 V570 H571 K579 L582 C610 N613 L614 | L569-T573 WeakPolarHBondContact O-CB 3.34Å; L569-T573 WeakPolarHBondContact O-CG2 3.5Å; L569-T573 PolarHBondContact O-N 3.36Å; L569-T573 PolarHBondContact O-OG1 3.22Å; V570-T573 WeakPolarHBondContact CA-OG1 3.37Å; V570-T573 PolarHBondContact O-N 3.29Å; V570-T573 PolarHBondContact O-OG1 2.97Å; H571-T573 VanDerWaalsContact C-N 3.28Å; H571-T573 PolarHBondContact O-N 3.44Å; T573-K579 WeakPolarHBondContact O-CE 3.37Å; T573-K579 PolarHBondContact O-NZ 3.24Å; T573-L582 HydrophobicContact CG2-CD1 4.24Å; T573-L582 HydrophobicContact CG2-CD2 3.39Å; T573-L582 HydrophobicContact CG2-CG 4.31Å; T573-C610 VanDerWaalsContact CG2-SG 3.58Å; T573-N613 WeakPolarHBondContact OG1-CB 3.34Å; T573-N613 PolarHBondContact OG1-ND2 3.3Å; T573-L614 HydrophobicContact CG2-CD1 4.33Å; T573-L614 HydrophobicContact CG2-CD2 3.53Å; T573-L614 HydrophobicContact CG2-CG 3.71Å |
| 574 | D | 93.2 | Very high | 95.5 | Very high | 66 Ų | 66 | 28.2 Ų | 28.2 | 35% | 0.353 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -75.1 | -29.6 | 170.7 | -163.9 | 53.5 | 0 | 0 | 0 | 111.8 | K531 V570 H571 I572 | K531-D574 WeakPolarHBondContact CD-O 3.37Å; K531-D574 WeakPolarHBondContact CE-O 3.35Å; K531-D574 WeakPolarHBondContact CG-O 3.12Å; K531-D574 PolarHBondContact NZ-O 2.86Å; V570-D574 PolarHBondContact O-N 3.32Å; H571-D574 WeakPolarHBondContact O-CB 3.36Å; H571-D574 PolarHBondContact O-N 3.41Å; I572-D574 VanDerWaalsContact C-N 3.26Å; I572-D574 PolarHBondContact O-N 2.93Å |
| 575 | G | 92.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -64.8 | 163.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I572 S578 K579 | I572-G575 PolarHBondContact O-N 3.1Å; G575-S578 VanDerWaalsContact C-OG 3.29Å; G575-S578 WeakPolarHBondContact CA-OG 3.36Å; G575-K579 WeakPolarHBondContact O-CG 3.21Å; G575-K579 PolarHBondContact O-NZ 3.15Å |
| 576 | G | 91.8 | Very high | 95.3 | Very high | 29 Ų | 29 | 34.5 Ų | 34.5 | 30% | 0.299 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -80.2 | -71.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D535 | D535-G576 PolarHBondContact OD1-N 3.49Å; D535-G576 VanDerWaalsContact OD1-N 3.11Å; D535-G576 PolarHBondContact OD2-N 2.86Å |
| 577 | T | 92.7 | Very high | 95 | Very high | 88 Ų | 88 | 39.6 Ų | 39.6 | 54% | 0.54 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -74.1 | -26.7 | -179.4 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | D535 K579 D580 | D535-T577 VanDerWaalsContact CG-OG1 3.27Å; D535-T577 WeakPolarHBondContact OD1-CA 3.45Å; D535-T577 PolarHBondContact OD1-N 2.95Å; D535-T577 PolarHBondContact OD1-OG1 2.99Å; T577-K579 PolarHBondContact O-N 2.91Å; T577-K579 VanDerWaalsContact O-N 3.16Å; T577-D580 WeakPolarHBondContact O-CB 3.5Å; T577-D580 PolarHBondContact O-N 3.47Å; T577-D580 VanDerWaalsContact O-N 3.11Å |
| 578 | S | 95.1 | Very high | 95 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -62.1 | -21.9 | 179.6 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | D535 I572 G575 D580 F581 | D535-S578 PolarHBondContact OD1-N 3.39Å; D535-S578 PolarHBondContact OD1-OG 3.38Å; I572-S578 WeakPolarHBondContact CG2-O 3.32Å; I572-S578 WeakPolarHBondContact O-CB 3.44Å; I572-S578 PolarHBondContact O-OG 2.96Å; G575-S578 VanDerWaalsContact C-OG 3.29Å; G575-S578 WeakPolarHBondContact CA-OG 3.36Å; S578-D580 PolarHBondContact O-N 2.66Å; S578-F581 WeakPolarHBondContact O-CB 3.48Å; S578-F581 PolarHBondContact O-N 2.98Å |
| 579 | K | 95.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -57.3 | -29.7 | 173.3 | -70.9 | 179.9 | 168.6 | 75.6 | 0 | 112.9 | T573 G575 T577 F581 L582 I583 N613 L614 E619 | T573-K579 WeakPolarHBondContact O-CE 3.37Å; T573-K579 PolarHBondContact O-NZ 3.24Å; G575-K579 WeakPolarHBondContact O-CG 3.21Å; G575-K579 PolarHBondContact O-NZ 3.15Å; T577-K579 PolarHBondContact O-N 2.91Å; T577-K579 VanDerWaalsContact O-N 3.16Å; K579-F581 PolarHBondContact O-N 2.66Å; K579-L582 PolarHBondContact O-N 3.29Å; K579-I583 PolarHBondContact O-N 3.44Å; K579-I583 VanDerWaalsContact O-N 3.09Å; K579-N613 WeakPolarHBondContact CE-O 3.44Å; K579-L614 HydrophobicContact CB-CD2 3.99Å; K579-L614 HydrophobicContact CD-CD2 4.36Å; K579-L614 HydrophobicContact CG-CD2 4.02Å; K579-E619 WeakPolarHBondContact CE-OE2 3.13Å; K579-E619 IonicContact NZ-OE1 3.81Å; K579-E619 PolarHBondContact NZ-OE1 3.46Å; K579-E619 VanDerWaalsContact NZ-OE1 3.1Å; K579-E619 IonicContact NZ-OE2 3.1Å; K579-E619 PolarHBondContact NZ-OE2 3.43Å |
| 580 | D | 94.1 | Very high | 94.8 | Very high | 77 Ų | 77 | 40.1 Ų | 40.1 | 41% | 0.412 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.1 | -25.9 | -177.5 | -65.7 | -17.5 | 0 | 0 | 0 | 112.1 | T577 S578 L582 N584 | T577-D580 WeakPolarHBondContact O-CB 3.5Å; T577-D580 PolarHBondContact O-N 3.47Å; T577-D580 VanDerWaalsContact O-N 3.11Å; S578-D580 PolarHBondContact O-N 2.66Å; D580-L582 PolarHBondContact O-N 2.71Å; D580-N584 VanDerWaalsContact O-CB 3.26Å; D580-N584 WeakPolarHBondContact O-CB 3.24Å; D580-N584 PolarHBondContact O-N 3.49Å; D580-N584 VanDerWaalsContact O-N 3.14Å; D580-N584 PolarHBondContact O-ND2 3.13Å |
| 581 | F | 95.2 | Very high | 94.8 | Very high | 65 Ų | 65 | 41.6 Ų | 41.6 | 29% | 0.285 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.8 | -27.6 | 174.5 | -77 | -89.5 | 0 | 0 | 0 | 113.1 | M538 M546 S578 K579 N585 | M538-F581 HydrophobicContact CB-CD2 4.21Å; M538-F581 HydrophobicContact CB-CE2 3.93Å; M538-F581 HydrophobicContact CE-CB 3.95Å; M538-F581 HydrophobicContact CE-CD1 4.05Å; M538-F581 HydrophobicContact CE-CD2 3.75Å; M538-F581 HydrophobicContact CE-CE2 4.26Å; M538-F581 HydrophobicContact CE-CG 3.63Å; M538-F581 WeakPolarHBondContact O-CE2 3.5Å; M538-F581 WeakPolarHBondContact O-CZ 3.49Å; M546-F581 HydrophobicContact CG-CB 4.15Å; M546-F581 HydrophobicContact CG-CD1 4.19Å; M546-F581 HydrophobicContact SD-CB 4.26Å; S578-F581 WeakPolarHBondContact O-CB 3.48Å; S578-F581 PolarHBondContact O-N 2.98Å; K579-F581 PolarHBondContact O-N 2.66Å; F581-N585 VanDerWaalsContact O-CB 3.32Å; F581-N585 WeakPolarHBondContact O-CB 3.28Å |
| 582 | L | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -92.9 | -44.8 | 177.9 | -76.6 | 76.2 | 0 | 0 | 0 | 111.2 | M546 L569 I572 T573 K579 D580 N584 N585 I588 I592 C610 | M546-L582 HydrophobicContact CE-CD1 4.24Å; M546-L582 HydrophobicContact CE-CG 4.23Å; M546-L582 HydrophobicContact SD-CD1 4.13Å; L569-L582 HydrophobicContact CB-CD2 4.11Å; L569-L582 HydrophobicContact CD2-CD1 4.21Å; L569-L582 HydrophobicContact CD2-CD2 4.01Å; L569-L582 HydrophobicContact CD2-CG 4.15Å; L569-L582 HydrophobicContact CG-CD2 4.45Å; I572-L582 HydrophobicContact CB-CD1 4.13Å; I572-L582 HydrophobicContact CG2-CD1 3.39Å; T573-L582 HydrophobicContact CG2-CD1 4.24Å; T573-L582 HydrophobicContact CG2-CD2 3.39Å; T573-L582 HydrophobicContact CG2-CG 4.31Å; K579-L582 PolarHBondContact O-N 3.29Å; D580-L582 PolarHBondContact O-N 2.71Å; L582-N584 VanDerWaalsContact C-N 3.25Å; L582-N584 PolarHBondContact O-N 3.15Å; L582-N585 PolarHBondContact O-N 3.26Å; L582-I588 HydrophobicContact CB-CG2 4.47Å; L582-I588 HydrophobicContact CD2-CG2 4.35Å; L582-I588 HydrophobicContact CG-CG2 4.09Å; L582-I592 HydrophobicContact CD2-CD1 4.08Å; L582-C610 WeakPolarHBondContact CD2-SG 3.49Å |
| 583 | I | 95.5 | Very high | 94.8 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 6% | 0.062 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -33.4 | -175.1 | -70.2 | -75.2 | 0 | 0 | 0 | 111.9 | K579 N585 L614 R625 R628 L629 | K579-I583 PolarHBondContact O-N 3.44Å; K579-I583 VanDerWaalsContact O-N 3.09Å; I583-N585 VanDerWaalsContact C-N 3.3Å; I583-L614 HydrophobicContact CD1-CD1 4.08Å; I583-L614 HydrophobicContact CD1-CD2 3.97Å; I583-L614 HydrophobicContact CD1-CG 4.42Å; I583-L614 HydrophobicContact CG1-CD2 3.76Å; I583-R625 HydrophobicContact CD1-CB 3.88Å; I583-R625 HydrophobicContact CD1-CG 3.78Å; I583-R625 HydrophobicContact CG1-CB 4.38Å; I583-R625 HydrophobicContact CG1-CG 3.7Å; I583-R625 HydrophobicContact CG2-CG 4.3Å; I583-R628 HydrophobicContact CG2-CB 4.25Å; I583-R628 HydrophobicContact CG2-CG 4.14Å; I583-L629 HydrophobicContact CD1-CD2 4.34Å; I583-L629 HydrophobicContact CD1-CG 4.28Å |
| 584 | N | 93.8 | Very high | 94.9 | Very high | 129 Ų | 129 | 44.7 Ų | 44.7 | 69% | 0.69 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -0.8 | 176 | -61.4 | -41.4 | 0 | 0 | 0 | 113.4 | D580 L582 | D580-N584 VanDerWaalsContact O-CB 3.26Å; D580-N584 WeakPolarHBondContact O-CB 3.24Å; D580-N584 PolarHBondContact O-N 3.49Å; D580-N584 VanDerWaalsContact O-N 3.14Å; D580-N584 PolarHBondContact O-ND2 3.13Å; L582-N584 VanDerWaalsContact C-N 3.25Å; L582-N584 PolarHBondContact O-N 3.15Å |
| 585 | N | 94.6 | Very high | 95 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 20% | 0.198 | 23% | 0.227 | C | C | . | . | trans | -112.3 | 95.3 | -179.5 | -171 | -41 | 0 | 0 | 0 | 110.6 | F581 L582 I583 D587 I588 L589 | F581-N585 VanDerWaalsContact O-CB 3.32Å; F581-N585 WeakPolarHBondContact O-CB 3.28Å; L582-N585 PolarHBondContact O-N 3.26Å; I583-N585 VanDerWaalsContact C-N 3.3Å; N585-D587 VanDerWaalsContact C-N 3.33Å; N585-D587 PolarHBondContact O-N 3.22Å; N585-D587 PolarHBondContact OD1-N 2.96Å; N585-I588 HydrophobicContact CB-CB 4.21Å; N585-I588 PolarHBondContact O-N 3.11Å; N585-I588 PolarHBondContact OD1-N 3.07Å; N585-L589 PolarHBondContact O-N 2.98Å; N585-L589 VanDerWaalsContact O-N 3.14Å | ||
| 586 | E | 94.1 | Very high | 95.3 | Very high | 99 Ų | 99 | 42.1 Ų | 42.1 | 46% | 0.463 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.3 | -37.1 | -176.6 | -167.9 | 166.9 | 147.1 | 0 | 0 | 113.1 | I588 L589 N590 R628 | E586-I588 VanDerWaalsContact C-N 3.32Å; E586-I588 PolarHBondContact O-N 3.29Å; E586-L589 PolarHBondContact O-N 3.48Å; E586-N590 WeakPolarHBondContact O-CB 3.33Å; E586-N590 PolarHBondContact O-N 3.5Å; E586-N590 PolarHBondContact O-ND2 3.09Å; E586-R628 IonicContact OE2-CZ 3.15Å; E586-R628 IonicContact OE2-NH1 2.71Å; E586-R628 IonicContact OE2-NH2 3.64Å; E586-R628 PolarHBondContact OE2-NH2 3.09Å |
| 587 | D | 93.7 | Very high | 95.4 | Very high | 109 Ų | 109 | 45.7 Ų | 45.7 | 58% | 0.583 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61.9 | -41.9 | 178.8 | -63.4 | -38.2 | 0 | 0 | 0 | 111.4 | N585 N590 K591 | N585-D587 VanDerWaalsContact C-N 3.33Å; N585-D587 PolarHBondContact O-N 3.22Å; N585-D587 PolarHBondContact OD1-N 2.96Å; D587-N590 PolarHBondContact O-N 3.07Å; D587-K591 WeakPolarHBondContact O-CB 3.48Å; D587-K591 PolarHBondContact O-N 2.75Å |
| 588 | I | 96.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.2 | -41 | 175.3 | -75.7 | -55.1 | 0 | 0 | 0 | 112.2 | M546 I550 L553 L569 L582 N585 E586 N590 K591 I592 | M546-I588 HydrophobicContact CE-CB 4.36Å; M546-I588 HydrophobicContact CE-CG1 3.73Å; M546-I588 HydrophobicContact CE-CG2 4.21Å; I550-I588 HydrophobicContact CD1-CD1 4.32Å; I550-I588 HydrophobicContact CD1-CG1 4.2Å; I550-I588 HydrophobicContact CG1-CD1 3.45Å; I550-I588 VanDerWaalsContact CG1-CD1 3.45Å; I550-I588 HydrophobicContact CG1-CG1 3.88Å; L553-I588 HydrophobicContact CD1-CD1 4.45Å; L569-I588 HydrophobicContact CD1-CG2 4.18Å; L582-I588 HydrophobicContact CB-CG2 4.47Å; L582-I588 HydrophobicContact CD2-CG2 4.35Å; L582-I588 HydrophobicContact CG-CG2 4.09Å; N585-I588 HydrophobicContact CB-CB 4.21Å; N585-I588 PolarHBondContact O-N 3.11Å; N585-I588 PolarHBondContact OD1-N 3.07Å; E586-I588 VanDerWaalsContact C-N 3.32Å; E586-I588 PolarHBondContact O-N 3.29Å; I588-N590 VanDerWaalsContact C-N 3.33Å; I588-N590 PolarHBondContact O-N 2.63Å; I588-K591 PolarHBondContact O-N 3.02Å; I588-K591 VanDerWaalsContact O-N 3.17Å; I588-I592 HydrophobicContact CG2-CD1 3.85Å; I588-I592 HydrophobicContact CG2-CG1 4.43Å; I588-I592 VanDerWaalsContact O-CG1 3.32Å; I588-I592 WeakPolarHBondContact O-CG1 3.46Å; I588-I592 PolarHBondContact O-N 3.26Å |
| 589 | L | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 174.9 | -65.5 | 179.1 | 0 | 0 | 0 | 111.2 | N585 E586 K591 I592 A593 L614 R628 L629 V632 I634 | N585-L589 PolarHBondContact O-N 2.98Å; N585-L589 VanDerWaalsContact O-N 3.14Å; E586-L589 PolarHBondContact O-N 3.48Å; L589-K591 VanDerWaalsContact C-N 3.29Å; L589-K591 PolarHBondContact O-N 3.19Å; L589-I592 PolarHBondContact O-N 3.37Å; L589-A593 WeakPolarHBondContact O-CB 3.18Å; L589-A593 PolarHBondContact O-N 3.49Å; L589-L614 HydrophobicContact CD2-CD1 4.37Å; L589-R628 HydrophobicContact CD1-CG 4.01Å; L589-L629 HydrophobicContact CD2-CD2 4Å; L589-V632 HydrophobicContact CB-CG1 4.01Å; L589-V632 HydrophobicContact CB-CG2 4.42Å; L589-V632 HydrophobicContact CD1-CG2 3.99Å; L589-I634 HydrophobicContact CB-CD1 4.15Å; L589-I634 HydrophobicContact CD2-CD1 4.24Å |
| 590 | N | 95.7 | Very high | 95.2 | Very high | 62 Ų | 62 | 52.4 Ų | 52.4 | 33% | 0.332 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 174.3 | -74.2 | -33.6 | 0 | 0 | 0 | 111.6 | E586 D587 I588 A593 N594 V632 | E586-N590 WeakPolarHBondContact O-CB 3.33Å; E586-N590 PolarHBondContact O-N 3.5Å; E586-N590 PolarHBondContact O-ND2 3.09Å; D587-N590 PolarHBondContact O-N 3.07Å; I588-N590 VanDerWaalsContact C-N 3.33Å; I588-N590 PolarHBondContact O-N 2.63Å; N590-A593 WeakPolarHBondContact O-CB 3.42Å; N590-A593 PolarHBondContact O-N 3.4Å; N590-N594 VanDerWaalsContact O-CG 3.22Å; N590-N594 PolarHBondContact O-N 3.36Å; N590-N594 PolarHBondContact O-ND2 3.07Å; N590-N594 VanDerWaalsContact O-ND2 3.16Å; N590-V632 WeakPolarHBondContact OD1-CG1 3.43Å |
| 591 | K | 95.6 | Very high | 95.3 | Very high | 50 Ų | 50 | 51.9 Ų | 51.9 | 22% | 0.217 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 177.6 | -161.7 | 66.6 | 169.5 | -163.5 | 0 | 112.3 | L553 D587 I588 L589 A593 N594 Y595 | L553-K591 HydrophobicContact CB-CG 4.11Å; L553-K591 HydrophobicContact CD1-CG 4.05Å; L553-K591 WeakPolarHBondContact O-CE 3.43Å; L553-K591 PolarHBondContact O-NZ 2.91Å; D587-K591 WeakPolarHBondContact O-CB 3.48Å; D587-K591 PolarHBondContact O-N 2.75Å; I588-K591 PolarHBondContact O-N 3.02Å; I588-K591 VanDerWaalsContact O-N 3.17Å; L589-K591 VanDerWaalsContact C-N 3.29Å; L589-K591 PolarHBondContact O-N 3.19Å; K591-A593 VanDerWaalsContact C-N 3.35Å; K591-N594 PolarHBondContact O-N 3.28Å; K591-Y595 HydrophobicContact CD-CD2 4.36Å; K591-Y595 HydrophobicContact CD-CE2 3.82Å; K591-Y595 WeakPolarHBondContact CE-OH 3.29Å; K591-Y595 HydrophobicContact CG-CD2 3.87Å; K591-Y595 HydrophobicContact CG-CE2 3.58Å; K591-Y595 WeakPolarHBondContact O-CD2 3.46Å; K591-Y595 PolarHBondContact O-N 2.99Å |
| 592 | I | 97.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 172.8 | -69.6 | 166.1 | 0 | 0 | 0 | 109.9 | L569 L582 I588 L589 N594 Y595 M596 V611 | L569-I592 HydrophobicContact CD1-CD1 4.24Å; L569-I592 HydrophobicContact CD1-CG1 4.28Å; L582-I592 HydrophobicContact CD2-CD1 4.08Å; I588-I592 HydrophobicContact CG2-CD1 3.85Å; I588-I592 HydrophobicContact CG2-CG1 4.43Å; I588-I592 VanDerWaalsContact O-CG1 3.32Å; I588-I592 WeakPolarHBondContact O-CG1 3.46Å; I588-I592 PolarHBondContact O-N 3.26Å; L589-I592 PolarHBondContact O-N 3.37Å; I592-N594 VanDerWaalsContact C-N 3.3Å; I592-N594 PolarHBondContact O-N 3.26Å; I592-Y595 PolarHBondContact O-N 2.99Å; I592-Y595 VanDerWaalsContact O-N 3.13Å; I592-M596 HydrophobicContact CG2-CG 4.42Å; I592-M596 HydrophobicContact CG2-SD 4.29Å; I592-M596 VanDerWaalsContact O-CG 3.31Å; I592-M596 WeakPolarHBondContact O-CG 3.43Å; I592-M596 PolarHBondContact O-N 3.46Å; I592-V611 HydrophobicContact CG2-CG2 3.67Å |
| 593 | A | 97.1 | Very high | 95.4 | Very high | 7 Ų | 7 | 55 Ų | 55 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.3 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L589 N590 K591 Q597 I634 I637 | L589-A593 WeakPolarHBondContact O-CB 3.18Å; L589-A593 PolarHBondContact O-N 3.49Å; N590-A593 WeakPolarHBondContact O-CB 3.42Å; N590-A593 PolarHBondContact O-N 3.4Å; K591-A593 VanDerWaalsContact C-N 3.35Å; A593-Q597 PolarHBondContact O-NE2 2.96Å; A593-I634 HydrophobicContact CB-CD1 4.49Å; A593-I634 HydrophobicContact CB-CG1 3.89Å; A593-I637 HydrophobicContact CB-CD1 3.58Å |
| 594 | N | 96.4 | Very high | 95.5 | Very high | 102 Ų | 102 | 55.8 Ų | 55.8 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 174.8 | -71.8 | -30.9 | 0 | 0 | 0 | 111.7 | N590 K591 I592 M596 Q597 Y598 | N590-N594 VanDerWaalsContact O-CG 3.22Å; N590-N594 PolarHBondContact O-N 3.36Å; N590-N594 PolarHBondContact O-ND2 3.07Å; N590-N594 VanDerWaalsContact O-ND2 3.16Å; K591-N594 PolarHBondContact O-N 3.28Å; I592-N594 VanDerWaalsContact C-N 3.3Å; I592-N594 PolarHBondContact O-N 3.26Å; N594-M596 PolarHBondContact O-N 2.92Å; N594-Q597 PolarHBondContact O-N 3.42Å; N594-Y598 PolarHBondContact O-N 3.2Å |
| 595 | Y | 97.2 | Very high | 95.6 | Very high | 12 Ų | 12 | 52.6 Ų | 52.6 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.7 | -26.7 | -179.9 | -76 | -59.4 | 0 | 0 | 0 | 114.1 | L553 K562 L566 K591 I592 Q597 Y598 L603 Q604 S607 | L553-Y595 HydrophobicContact CB-CE2 4.22Å; L553-Y595 HydrophobicContact CD1-CE2 4.41Å; L553-Y595 HydrophobicContact CD2-CE2 3.79Å; L553-Y595 HydrophobicContact CG-CE2 4.35Å; L553-Y595 PolarHBondContact O-OH 3.39Å; L553-Y595 VanDerWaalsContact O-OH 3.09Å; K562-Y595 WeakPolarHBondContact CD-OH 3.45Å; L566-Y595 HydrophobicContact CD1-CD2 4.14Å; L566-Y595 HydrophobicContact CD1-CG 4.07Å; L566-Y595 HydrophobicContact CD2-CD2 4.01Å; K591-Y595 HydrophobicContact CD-CD2 4.36Å; K591-Y595 HydrophobicContact CD-CE2 3.82Å; K591-Y595 WeakPolarHBondContact CE-OH 3.29Å; K591-Y595 HydrophobicContact CG-CD2 3.87Å; K591-Y595 HydrophobicContact CG-CE2 3.58Å; K591-Y595 WeakPolarHBondContact O-CD2 3.46Å; K591-Y595 PolarHBondContact O-N 2.99Å; I592-Y595 PolarHBondContact O-N 2.99Å; I592-Y595 VanDerWaalsContact O-N 3.13Å; Y595-Q597 PolarHBondContact O-N 3.34Å; Y595-Y598 HydrophobicContact CD1-CD1 4.44Å; Y595-Y598 HydrophobicContact CD1-CD2 4.29Å; Y595-Y598 HydrophobicContact CD1-CG 4.05Å; Y595-Y598 HydrophobicContact CE1-CD2 4.45Å; Y595-Y598 HydrophobicContact CE1-CG 4.49Å; Y595-Y598 WeakPolarHBondContact O-CB 3.41Å; Y595-Y598 PolarHBondContact O-N 2.77Å; Y595-L603 HydrophobicContact CD1-CB 4.03Å; Y595-L603 HydrophobicContact CD1-CD1 3.78Å; Y595-L603 HydrophobicContact CD1-CG 4.49Å; Y595-L603 HydrophobicContact CE1-CD1 3.72Å; Y595-Q604 WeakPolarHBondContact O-CA 3.41Å; Y595-Q604 WeakPolarHBondContact O-CG 3.4Å; Y595-S607 WeakPolarHBondContact CB-OG 3.36Å |
| 596 | M | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.2 | -30.8 | 169.4 | -75.8 | 175 | 75.8 | 0 | 0 | 112.7 | I592 N594 Q604 V608 V611 I634 I637 L638 L641 | I592-M596 HydrophobicContact CG2-CG 4.42Å; I592-M596 HydrophobicContact CG2-SD 4.29Å; I592-M596 VanDerWaalsContact O-CG 3.31Å; I592-M596 WeakPolarHBondContact O-CG 3.43Å; I592-M596 PolarHBondContact O-N 3.46Å; N594-M596 PolarHBondContact O-N 2.92Å; M596-Q604 WeakPolarHBondContact O-CG 3.3Å; M596-Q604 PolarHBondContact O-NE2 3.3Å; M596-V608 HydrophobicContact CE-CG2 4.15Å; M596-V608 HydrophobicContact CG-CG2 4Å; M596-V611 HydrophobicContact CE-CG2 4.43Å; M596-V611 HydrophobicContact SD-CG2 3.74Å; M596-I634 HydrophobicContact CE-CG2 4.32Å; M596-I634 HydrophobicContact SD-CG2 3.99Å; M596-I637 HydrophobicContact CB-CG2 3.87Å; M596-I637 HydrophobicContact CE-CB 4.26Å; M596-I637 HydrophobicContact CE-CG2 3.87Å; M596-I637 HydrophobicContact SD-CG2 4.3Å; M596-L638 HydrophobicContact CE-CB 4.16Å; M596-L638 HydrophobicContact CE-CD1 3.83Å; M596-L641 HydrophobicContact CB-CD1 4.14Å; M596-L641 HydrophobicContact CE-CD1 3.88Å |
| 597 | Q | 94.9 | Very high | 95.9 | Very high | 105 Ų | 105 | 46.2 Ų | 46.2 | 49% | 0.491 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 4.3 | 179.9 | -65.5 | 175.4 | 76 | 0 | 0 | 112.9 | A593 N594 Y595 I637 | A593-Q597 PolarHBondContact O-NE2 2.96Å; N594-Q597 PolarHBondContact O-N 3.42Å; Y595-Q597 PolarHBondContact O-N 3.34Å; Q597-I637 HydrophobicContact CG-CG2 3.57Å |
| 598 | Y | 92.6 | Very high | 96.1 | Very high | 115 Ų | 115 | 41 Ų | 41 | 45% | 0.451 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -74.6 | 143.8 | -174.5 | -161.3 | -102.4 | 0 | 0 | 0 | 111.3 | N594 Y595 C600 L603 Q604 | N594-Y598 PolarHBondContact O-N 3.2Å; Y595-Y598 HydrophobicContact CD1-CD1 4.44Å; Y595-Y598 HydrophobicContact CD1-CD2 4.29Å; Y595-Y598 HydrophobicContact CD1-CG 4.05Å; Y595-Y598 HydrophobicContact CE1-CD2 4.45Å; Y595-Y598 HydrophobicContact CE1-CG 4.49Å; Y595-Y598 WeakPolarHBondContact O-CB 3.41Å; Y595-Y598 PolarHBondContact O-N 2.77Å; Y598-C600 HydrophobicContact CD1-CB 3.69Å; Y598-C600 HydrophobicContact CE1-CB 4.01Å; Y598-C600 PolarHBondContact O-N 3.4Å; Y598-L603 HydrophobicContact CD1-CD1 3.72Å; Y598-L603 HydrophobicContact CE1-CD1 3.8Å; Y598-Q604 WeakPolarHBondContact O-CG 3.34Å; Y598-Q604 PolarHBondContact O-NE2 3.09Å; Y598-Q604 VanDerWaalsContact O-NE2 3.15Å |
| 599 | G | 91.4 | Very high | 96.2 | Very high | 86 Ų | 86 | 45.6 Ų | 45.6 | 89% | 0.887 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -66.4 | 6.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 600 | C | 95.3 | Very high | 96.2 | Very high | 29 Ų | 29 | 45.7 Ų | 45.7 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | trans | -110.5 | 113.5 | 177.9 | -174.9 | 0 | 0 | 0 | 0 | 111 | V559 Y598 R602 L603 Q604 | V559-C600 WeakPolarHBondContact CG1-SG 3.26Å; Y598-C600 HydrophobicContact CD1-CB 3.69Å; Y598-C600 HydrophobicContact CE1-CB 4.01Å; Y598-C600 PolarHBondContact O-N 3.4Å; C600-R602 VanDerWaalsContact C-N 3.26Å; C600-R602 PolarHBondContact O-N 3.49Å; C600-L603 HydrophobicContact CB-CB 4.44Å; C600-L603 HydrophobicContact CB-CD1 4.25Å; C600-L603 HydrophobicContact CB-CG 4.13Å; C600-L603 PolarHBondContact O-N 3.41Å; C600-L603 VanDerWaalsContact O-N 3.09Å; C600-Q604 PolarHBondContact O-N 3.47Å | ||
| 601 | L | 95.5 | Very high | 96.3 | Very high | 67 Ų | 67 | 42.8 Ų | 42.8 | 35% | 0.351 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -52.7 | -40.7 | -177.8 | -178.8 | 62.4 | 0 | 0 | 0 | 113.2 | L603 Q604 M605 D646 L649 | L601-L603 PolarHBondContact O-N 2.9Å; L601-Q604 PolarHBondContact O-N 3.49Å; L601-M605 HydrophobicContact CD1-CG 3.99Å; L601-M605 HydrophobicContact CD1-SD 4.23Å; L601-M605 HydrophobicContact CG-CG 4.24Å; L601-M605 HydrophobicContact CG-SD 4.03Å; L601-M605 WeakPolarHBondContact O-CB 3.4Å; L601-M605 VanDerWaalsContact O-CG 3.3Å; L601-M605 WeakPolarHBondContact O-CG 3.42Å; L601-M605 PolarHBondContact O-N 3.5Å; L601-D646 HydrophobicContact CD1-CB 3.95Å; L601-D646 HydrophobicContact CD2-CB 4.37Å; L601-L649 HydrophobicContact CD1-CB 4.02Å; L601-L649 HydrophobicContact CD1-CD2 3.93Å |
| 602 | R | 95.5 | Very high | 96.4 | Very high | 129 Ų | 129 | 40.4 Ų | 40.4 | 49% | 0.487 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.7 | -46 | 179.3 | -71.9 | 168.4 | 172.2 | -106.5 | -1.1 | 112.3 | E563 C600 A606 | E563-R602 HydrophobicContact CG-CB 4.32Å; E563-R602 IonicContact OE1-NH1 3.35Å; E563-R602 PolarHBondContact OE1-NH1 2.91Å; E563-R602 WeakPolarHBondContact OE2-CD 3.48Å; E563-R602 IonicContact OE2-CZ 2.77Å; E563-R602 IonicContact OE2-NH1 3.34Å; E563-R602 PolarHBondContact OE2-NH1 3.38Å; C600-R602 VanDerWaalsContact C-N 3.26Å; C600-R602 PolarHBondContact O-N 3.49Å; R602-A606 WeakPolarHBondContact O-CB 3.27Å; R602-A606 PolarHBondContact O-N 3.07Å; R602-A606 VanDerWaalsContact O-N 3.08Å |
| 603 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.9 | -37.1 | 179.2 | -55 | -173.8 | 0 | 0 | 0 | 111.3 | V559 K562 E563 L566 Y595 Y598 C600 L601 S607 | V559-L603 HydrophobicContact CG1-CD1 4.24Å; V559-L603 HydrophobicContact CG1-CD2 4.21Å; V559-L603 HydrophobicContact CG1-CG 4.13Å; K562-L603 HydrophobicContact CB-CD2 4.05Å; E563-L603 HydrophobicContact CB-CD2 3.86Å; L566-L603 HydrophobicContact CD1-CB 4Å; L566-L603 HydrophobicContact CD1-CD2 3.93Å; Y595-L603 HydrophobicContact CD1-CB 4.03Å; Y595-L603 HydrophobicContact CD1-CD1 3.78Å; Y595-L603 HydrophobicContact CD1-CG 4.49Å; Y595-L603 HydrophobicContact CE1-CD1 3.72Å; Y598-L603 HydrophobicContact CD1-CD1 3.72Å; Y598-L603 HydrophobicContact CE1-CD1 3.8Å; C600-L603 HydrophobicContact CB-CB 4.44Å; C600-L603 HydrophobicContact CB-CD1 4.25Å; C600-L603 HydrophobicContact CB-CG 4.13Å; C600-L603 PolarHBondContact O-N 3.41Å; C600-L603 VanDerWaalsContact O-N 3.09Å; L601-L603 PolarHBondContact O-N 2.9Å; L603-S607 WeakPolarHBondContact O-CB 3.32Å; L603-S607 PolarHBondContact O-N 3.34Å; L603-S607 PolarHBondContact O-OG 2.72Å |
| 604 | Q | 96.8 | Very high | 96.3 | Very high | 30 Ų | 30 | 41 Ų | 41 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.6 | -53.1 | 173.9 | -68.9 | -174.9 | -54.4 | 0 | 0 | 111.2 | Y595 M596 Y598 C600 L601 A606 S607 V608 L649 | Y595-Q604 WeakPolarHBondContact O-CA 3.41Å; Y595-Q604 WeakPolarHBondContact O-CG 3.4Å; M596-Q604 WeakPolarHBondContact O-CG 3.3Å; M596-Q604 PolarHBondContact O-NE2 3.3Å; Y598-Q604 WeakPolarHBondContact O-CG 3.34Å; Y598-Q604 PolarHBondContact O-NE2 3.09Å; Y598-Q604 VanDerWaalsContact O-NE2 3.15Å; C600-Q604 PolarHBondContact O-N 3.47Å; L601-Q604 PolarHBondContact O-N 3.49Å; Q604-A606 VanDerWaalsContact C-N 3.29Å; Q604-A606 PolarHBondContact O-N 3.05Å; Q604-S607 PolarHBondContact O-N 3.18Å; Q604-S607 VanDerWaalsContact O-N 3.12Å; Q604-V608 WeakPolarHBondContact O-CG2 3.42Å; Q604-V608 PolarHBondContact O-N 2.65Å; Q604-L649 HydrophobicContact CB-CD1 4.44Å; Q604-L649 HydrophobicContact CB-CD2 4.18Å |
| 605 | M | 97 | Very high | 96.3 | Very high | 62 Ų | 62 | 36.2 Ų | 36.2 | 31% | 0.305 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -56.9 | -43.9 | 179.8 | -73.8 | -176.7 | 75.5 | 0 | 0 | 111.7 | L601 S607 R609 A648 L649 | L601-M605 HydrophobicContact CD1-CG 3.99Å; L601-M605 HydrophobicContact CD1-SD 4.23Å; L601-M605 HydrophobicContact CG-CG 4.24Å; L601-M605 HydrophobicContact CG-SD 4.03Å; L601-M605 WeakPolarHBondContact O-CB 3.4Å; L601-M605 VanDerWaalsContact O-CG 3.3Å; L601-M605 WeakPolarHBondContact O-CG 3.42Å; L601-M605 PolarHBondContact O-N 3.5Å; M605-S607 PolarHBondContact O-N 2.97Å; M605-R609 VanDerWaalsContact O-CB 3.3Å; M605-R609 WeakPolarHBondContact O-CB 3.29Å; M605-R609 PolarHBondContact O-N 2.96Å; M605-A648 HydrophobicContact CE-CB 3.87Å; M605-L649 HydrophobicContact CG-CB 4.4Å; M605-L649 HydrophobicContact CG-CD1 4.1Å |
| 606 | A | 97.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -45.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L566 M567 V570 R602 Q604 R609 C610 | L566-A606 HydrophobicContact CB-CB 3.51Å; L566-A606 HydrophobicContact CD1-CB 3.98Å; L566-A606 HydrophobicContact CG-CB 4.39Å; M567-A606 HydrophobicContact CE-CB 3.17Å; V570-A606 VanDerWaalsContact CG2-O 3.28Å; V570-A606 WeakPolarHBondContact CG2-O 3.37Å; R602-A606 WeakPolarHBondContact O-CB 3.27Å; R602-A606 PolarHBondContact O-N 3.07Å; R602-A606 VanDerWaalsContact O-N 3.08Å; Q604-A606 VanDerWaalsContact C-N 3.29Å; Q604-A606 PolarHBondContact O-N 3.05Å; A606-R609 PolarHBondContact O-N 3.1Å; A606-C610 PolarHBondContact O-N 2.89Å; A606-C610 VanDerWaalsContact O-N 3.08Å |
| 607 | S | 98 | Very high | 96 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69 | -43.3 | -178.5 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | Y595 L603 Q604 M605 R609 C610 V611 | Y595-S607 WeakPolarHBondContact CB-OG 3.36Å; L603-S607 WeakPolarHBondContact O-CB 3.32Å; L603-S607 PolarHBondContact O-N 3.34Å; L603-S607 PolarHBondContact O-OG 2.72Å; Q604-S607 PolarHBondContact O-N 3.18Å; Q604-S607 VanDerWaalsContact O-N 3.12Å; M605-S607 PolarHBondContact O-N 2.97Å; S607-R609 VanDerWaalsContact C-N 3.32Å; S607-R609 PolarHBondContact O-N 3.33Å; S607-C610 WeakPolarHBondContact O-CB 3.49Å; S607-C610 PolarHBondContact O-N 3.47Å; S607-V611 PolarHBondContact O-N 3.23Å; S607-V611 VanDerWaalsContact O-N 3.09Å |
| 608 | V | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.9 | -36.9 | 176.3 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | M596 Q604 C610 V611 C612 L638 L641 L649 L652 V653 | M596-V608 HydrophobicContact CE-CG2 4.15Å; M596-V608 HydrophobicContact CG-CG2 4Å; Q604-V608 WeakPolarHBondContact O-CG2 3.42Å; Q604-V608 PolarHBondContact O-N 2.65Å; V608-C610 VanDerWaalsContact C-N 3.31Å; V608-C610 PolarHBondContact O-N 3.27Å; V608-V611 PolarHBondContact O-N 2.99Å; V608-C612 WeakPolarHBondContact O-CB 3.35Å; V608-C612 PolarHBondContact O-N 3.22Å; V608-L638 HydrophobicContact CG1-CD1 3.89Å; V608-L641 HydrophobicContact CG2-CD1 3.79Å; V608-L649 HydrophobicContact CB-CD1 4.23Å; V608-L649 HydrophobicContact CG2-CD1 3.86Å; V608-L652 HydrophobicContact CB-CD2 4.12Å; V608-L652 HydrophobicContact CB-CG 4.35Å; V608-L652 HydrophobicContact CG1-CD2 4.12Å; V608-L652 HydrophobicContact CG1-CG 3.79Å; V608-V653 HydrophobicContact CG1-CG2 3.9Å; V608-V653 HydrophobicContact CG2-CG2 4.44Å |
| 609 | R | 97.5 | Very high | 95.5 | Very high | 100 Ų | 100 | 44 Ų | 44 | 38% | 0.377 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 174.8 | -176.7 | 66 | 65.8 | -176.8 | 1.3 | 111.6 | V570 M605 A606 S607 V611 C612 N613 L652 | V570-R609 HydrophobicContact CB-CG 4.36Å; V570-R609 HydrophobicContact CG1-CB 4.47Å; V570-R609 HydrophobicContact CG1-CG 3.53Å; V570-R609 HydrophobicContact CG2-CB 3.85Å; V570-R609 HydrophobicContact CG2-CG 3.83Å; M605-R609 VanDerWaalsContact O-CB 3.3Å; M605-R609 WeakPolarHBondContact O-CB 3.29Å; M605-R609 PolarHBondContact O-N 2.96Å; A606-R609 PolarHBondContact O-N 3.1Å; S607-R609 VanDerWaalsContact C-N 3.32Å; S607-R609 PolarHBondContact O-N 3.33Å; R609-V611 VanDerWaalsContact C-N 3.35Å; R609-V611 PolarHBondContact O-N 2.93Å; R609-C612 WeakPolarHBondContact O-CB 3.48Å; R609-C612 PolarHBondContact O-N 3.35Å; R609-N613 PolarHBondContact O-N 3.44Å; R609-N613 PolarHBondContact O-OD1 3.46Å; R609-L652 HydrophobicContact CB-CD2 4.05Å; R609-L652 VanDerWaalsContact NH1-CD1 3.31Å |
| 610 | C | 96.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 175.1 | -169.9 | 0 | 0 | 0 | 0 | 111.1 | V570 T573 L582 A606 S607 V608 C612 N613 L614 | V570-C610 HydrophobicContact CG2-CB 4.13Å; T573-C610 VanDerWaalsContact CG2-SG 3.58Å; L582-C610 WeakPolarHBondContact CD2-SG 3.49Å; A606-C610 PolarHBondContact O-N 2.89Å; A606-C610 VanDerWaalsContact O-N 3.08Å; S607-C610 WeakPolarHBondContact O-CB 3.49Å; S607-C610 PolarHBondContact O-N 3.47Å; V608-C610 VanDerWaalsContact C-N 3.31Å; V608-C610 PolarHBondContact O-N 3.27Å; C610-C612 PolarHBondContact O-N 2.98Å; C610-N613 PolarHBondContact O-N 2.94Å; C610-L614 WeakPolarHBondContact O-CG 3.29Å; C610-L614 PolarHBondContact O-N 2.96Å |
| 611 | V | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 175.5 | 174.3 | 0 | 0 | 0 | 0 | 112.2 | I592 M596 S607 V608 R609 N613 L614 L615 I634 | I592-V611 HydrophobicContact CG2-CG2 3.67Å; M596-V611 HydrophobicContact CE-CG2 4.43Å; M596-V611 HydrophobicContact SD-CG2 3.74Å; S607-V611 PolarHBondContact O-N 3.23Å; S607-V611 VanDerWaalsContact O-N 3.09Å; V608-V611 PolarHBondContact O-N 2.99Å; R609-V611 VanDerWaalsContact C-N 3.35Å; R609-V611 PolarHBondContact O-N 2.93Å; V611-N613 VanDerWaalsContact C-N 3.32Å; V611-N613 PolarHBondContact O-N 2.89Å; V611-L614 PolarHBondContact O-N 3.46Å; V611-L615 HydrophobicContact CG1-CD1 3.76Å; V611-L615 HydrophobicContact CG1-CG 4.35Å; V611-L615 WeakPolarHBondContact O-CB 3.42Å; V611-L615 WeakPolarHBondContact O-CG 3.36Å; V611-L615 PolarHBondContact O-N 3.02Å; V611-I634 HydrophobicContact CB-CG2 4.33Å; V611-I634 HydrophobicContact CG1-CG2 3.64Å; V611-I634 HydrophobicContact CG2-CG2 3.64Å |
| 612 | C | 97.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.1 | -48 | 175.8 | -166.5 | 0 | 0 | 0 | 0 | 111.1 | V608 R609 C610 L615 W616 L652 S656 | V608-C612 WeakPolarHBondContact O-CB 3.35Å; V608-C612 PolarHBondContact O-N 3.22Å; R609-C612 WeakPolarHBondContact O-CB 3.48Å; R609-C612 PolarHBondContact O-N 3.35Å; C610-C612 PolarHBondContact O-N 2.98Å; C612-L615 PolarHBondContact O-N 3.31Å; C612-W616 PolarHBondContact O-N 2.92Å; C612-L652 HydrophobicContact CB-CD1 4.11Å; C612-S656 WeakPolarHBondContact CB-OG 3.49Å; C612-S656 PolarHBondContact SG-OG 3.31Å; C612-S656 VanDerWaalsContact SG-OG 3.41Å |
| 613 | N | 95.6 | Very high | 95.1 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 11% | 0.112 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 178.4 | -71.6 | 5 | 0 | 0 | 0 | 111.9 | V570 T573 K579 R609 C610 V611 L615 W616 | V570-N613 PolarHBondContact O-ND2 3.06Å; V570-N613 VanDerWaalsContact O-ND2 3.12Å; T573-N613 WeakPolarHBondContact OG1-CB 3.34Å; T573-N613 PolarHBondContact OG1-ND2 3.3Å; K579-N613 WeakPolarHBondContact CE-O 3.44Å; R609-N613 PolarHBondContact O-N 3.44Å; R609-N613 PolarHBondContact O-OD1 3.46Å; C610-N613 PolarHBondContact O-N 2.94Å; V611-N613 VanDerWaalsContact C-N 3.32Å; V611-N613 PolarHBondContact O-N 2.89Å; N613-L615 VanDerWaalsContact C-N 3.25Å; N613-L615 PolarHBondContact O-N 3.14Å; N613-W616 WeakPolarHBondContact O-CB 3.35Å; N613-W616 PolarHBondContact O-N 3.47Å |
| 614 | L | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -31.4 | 176.2 | -70.6 | 173.9 | 0 | 0 | 0 | 113 | T573 K579 I583 L589 C610 V611 W616 R625 L629 | T573-L614 HydrophobicContact CG2-CD1 4.33Å; T573-L614 HydrophobicContact CG2-CD2 3.53Å; T573-L614 HydrophobicContact CG2-CG 3.71Å; K579-L614 HydrophobicContact CB-CD2 3.99Å; K579-L614 HydrophobicContact CD-CD2 4.36Å; K579-L614 HydrophobicContact CG-CD2 4.02Å; I583-L614 HydrophobicContact CD1-CD1 4.08Å; I583-L614 HydrophobicContact CD1-CD2 3.97Å; I583-L614 HydrophobicContact CD1-CG 4.42Å; I583-L614 HydrophobicContact CG1-CD2 3.76Å; L589-L614 HydrophobicContact CD2-CD1 4.37Å; C610-L614 WeakPolarHBondContact O-CG 3.29Å; C610-L614 PolarHBondContact O-N 2.96Å; V611-L614 PolarHBondContact O-N 3.46Å; L614-W616 VanDerWaalsContact C-N 3.33Å; L614-R625 WeakPolarHBondContact O-CD 3.28Å; L614-R625 PolarHBondContact O-NE 3.38Å; L614-L629 HydrophobicContact CB-CD1 3.98Å; L614-L629 HydrophobicContact CD1-CD2 4.26Å |
| 615 | L | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -1 | 178.5 | -71.8 | 171.3 | 0 | 0 | 0 | 113.7 | V611 C612 N613 K617 F622 Q626 L629 L635 L638 Q659 V660 | V611-L615 HydrophobicContact CG1-CD1 3.76Å; V611-L615 HydrophobicContact CG1-CG 4.35Å; V611-L615 WeakPolarHBondContact O-CB 3.42Å; V611-L615 WeakPolarHBondContact O-CG 3.36Å; V611-L615 PolarHBondContact O-N 3.02Å; C612-L615 PolarHBondContact O-N 3.31Å; N613-L615 VanDerWaalsContact C-N 3.25Å; N613-L615 PolarHBondContact O-N 3.14Å; L615-K617 PolarHBondContact O-N 3.42Å; L615-F622 WeakPolarHBondContact O-CD2 2.95Å; L615-F622 WeakPolarHBondContact O-CE2 3.01Å; L615-Q626 HydrophobicContact CD2-CB 4.41Å; L615-Q626 HydrophobicContact CD2-CG 4.26Å; L615-L629 HydrophobicContact CD2-CD1 3.58Å; L615-L629 HydrophobicContact CG-CD1 3.72Å; L615-L635 HydrophobicContact CD1-CD2 3.98Å; L615-L635 HydrophobicContact CD2-CD2 4.04Å; L615-L638 HydrophobicContact CD1-CD2 4.11Å; L615-Q659 HydrophobicContact CB-CB 3.92Å; L615-Q659 VanDerWaalsContact O-CB 3.24Å; L615-Q659 WeakPolarHBondContact O-CB 3.36Å; L615-V660 HydrophobicContact CD1-CG2 3.78Å; L615-V660 HydrophobicContact CD2-CG2 4.2Å |
| 616 | W | 94.8 | Very high | 94.8 | Very high | 83 Ų | 83 | 49.4 Ų | 49.4 | 31% | 0.314 | 22% | 0.224 | S | C | . | . | trans | -60.9 | 112.3 | -174.8 | -152.5 | -97.7 | 0 | 0 | 0 | 112 | C612 N613 L614 E618 E619 L655 Q659 | C612-W616 PolarHBondContact O-N 2.92Å; N613-W616 WeakPolarHBondContact O-CB 3.35Å; N613-W616 PolarHBondContact O-N 3.47Å; L614-W616 VanDerWaalsContact C-N 3.33Å; W616-E618 VanDerWaalsContact C-N 3.32Å; W616-E618 PolarHBondContact O-N 3.2Å; W616-E619 PolarHBondContact O-N 3.37Å; W616-L655 HydrophobicContact CZ3-CD2 4.5Å; W616-Q659 HydrophobicContact CE3-CG 4.21Å | ||
| 617 | K | 93.2 | Very high | 94.7 | Very high | 115 Ų | 115 | 52.2 Ų | 52.2 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -17.1 | -166.5 | 71.4 | -169.1 | 172.4 | -171.8 | 0 | 115.3 | L615 E619 F622 | L615-K617 PolarHBondContact O-N 3.42Å; K617-E619 PolarHBondContact O-N 3.21Å; K617-F622 HydrophobicContact CB-CD1 4.18Å; K617-F622 HydrophobicContact CB-CD2 4.04Å; K617-F622 HydrophobicContact CB-CE1 4.1Å; K617-F622 HydrophobicContact CB-CE2 3.96Å; K617-F622 HydrophobicContact CB-CG 4.14Å; K617-F622 HydrophobicContact CB-CZ 3.97Å |
| 618 | E | 90.2 | Very high | 94.7 | Very high | 164 Ų | 164 | 55.5 Ų | 55.5 | 77% | 0.766 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -3.4 | 179.9 | -64.4 | -178.1 | 166 | 0 | 0 | 112.9 | W616 | W616-E618 VanDerWaalsContact C-N 3.32Å; W616-E618 PolarHBondContact O-N 3.2Å |
| 619 | E | 88.4 | Confident | 94.6 | Very high | 33 Ų | 33 | 55.5 Ų | 55.5 | 15% | 0.154 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -107.5 | 146.2 | -176 | -65.5 | 176.6 | 143.4 | 0 | 0 | 112.7 | K531 K579 W616 K617 F622 R625 | K531-E619 WeakPolarHBondContact CE-OE1 3.41Å; K531-E619 IonicContact NZ-OE1 2.6Å; K531-E619 PolarHBondContact NZ-OE1 3.38Å; K579-E619 WeakPolarHBondContact CE-OE2 3.13Å; K579-E619 IonicContact NZ-OE1 3.81Å; K579-E619 PolarHBondContact NZ-OE1 3.46Å; K579-E619 VanDerWaalsContact NZ-OE1 3.1Å; K579-E619 IonicContact NZ-OE2 3.1Å; K579-E619 PolarHBondContact NZ-OE2 3.43Å; W616-E619 PolarHBondContact O-N 3.37Å; K617-E619 PolarHBondContact O-N 3.21Å; E619-F622 WeakPolarHBondContact O-CB 3.44Å; E619-F622 PolarHBondContact O-N 3.09Å; E619-R625 PolarHBondContact O-NH2 3.22Å; E619-R625 IonicContact OE2-NH2 2.6Å |
| 620 | Y | 88.9 | Confident | 94.6 | Very high | 220 Ų | 220 | 57 Ų | 57 | 86% | 0.863 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 142.3 | 175.7 | -176.8 | -99.4 | 0 | 0 | 0 | 112 | F622 R625 | Y620-F622 VanDerWaalsContact C-N 3.34Å; Y620-R625 VanDerWaalsContact O-CZ 3.3Å; Y620-R625 PolarHBondContact O-NH1 2.85Å; Y620-R625 PolarHBondContact O-NH2 3.37Å |
| 621 | G | 91.6 | Very high | 94.5 | Very high | 16 Ų | 16 | 62.1 Ų | 62.1 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | T623 E624 R625 | G621-T623 VanDerWaalsContact C-N 3.33Å; G621-T623 PolarHBondContact O-N 2.99Å; G621-E624 WeakPolarHBondContact CA-OE2 3.5Å; G621-E624 PolarHBondContact O-N 3.01Å; G621-R625 VanDerWaalsContact O-CG 3.31Å; G621-R625 WeakPolarHBondContact O-CG 3.23Å; G621-R625 PolarHBondContact O-N 2.76Å |
| 622 | F | 93.6 | Very high | 94.4 | Very high | 36 Ų | 36 | 63.4 Ų | 63.4 | 16% | 0.158 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -54.5 | -44.9 | -178 | 161 | -105 | 0 | 0 | 0 | 113.2 | L615 K617 E619 Y620 E624 R625 Q626 Q659 | L615-F622 WeakPolarHBondContact O-CD2 2.95Å; L615-F622 WeakPolarHBondContact O-CE2 3.01Å; K617-F622 HydrophobicContact CB-CD1 4.18Å; K617-F622 HydrophobicContact CB-CD2 4.04Å; K617-F622 HydrophobicContact CB-CE1 4.1Å; K617-F622 HydrophobicContact CB-CE2 3.96Å; K617-F622 HydrophobicContact CB-CG 4.14Å; K617-F622 HydrophobicContact CB-CZ 3.97Å; E619-F622 WeakPolarHBondContact O-CB 3.44Å; E619-F622 PolarHBondContact O-N 3.09Å; Y620-F622 VanDerWaalsContact C-N 3.34Å; F622-E624 PolarHBondContact O-N 3.02Å; F622-R625 PolarHBondContact O-N 3.25Å; F622-Q626 HydrophobicContact CE2-CB 4.28Å; F622-Q626 HydrophobicContact CZ-CB 4.35Å; F622-Q626 WeakPolarHBondContact O-CB 3.46Å; F622-Q626 PolarHBondContact O-N 2.95Å; F622-Q659 VanDerWaalsContact CE2-O 3.24Å; F622-Q659 WeakPolarHBondContact CE2-O 3.4Å; F622-Q659 WeakPolarHBondContact CZ-O 3.23Å |
| 623 | T | 94 | Very high | 94.3 | Very high | 88 Ų | 88 | 64.5 Ų | 64.5 | 54% | 0.54 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | -175.7 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | G621 Q626 V627 | G621-T623 VanDerWaalsContact C-N 3.33Å; G621-T623 PolarHBondContact O-N 2.99Å; T623-Q626 PolarHBondContact O-N 3.14Å; T623-V627 WeakPolarHBondContact O-CG2 3.44Å; T623-V627 PolarHBondContact O-N 3.25Å |
| 624 | E | 94.6 | Very high | 94.4 | Very high | 125 Ų | 125 | 63.5 Ų | 63.5 | 58% | 0.584 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.2 | -44.2 | 176.6 | -65 | 80.2 | -177.2 | 0 | 0 | 111 | G621 F622 Q626 V627 R628 | G621-E624 WeakPolarHBondContact CA-OE2 3.5Å; G621-E624 PolarHBondContact O-N 3.01Å; F622-E624 PolarHBondContact O-N 3.02Å; E624-Q626 PolarHBondContact O-N 2.99Å; E624-V627 PolarHBondContact O-N 3.29Å; E624-R628 PolarHBondContact O-N 3Å |
| 625 | R | 95.6 | Very high | 94.4 | Very high | 7 Ų | 7 | 64.2 Ų | 64.2 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 176 | -68 | -165.3 | -67.8 | -89.4 | -2.8 | 112.1 | I583 L614 E619 Y620 G621 F622 V627 R628 L629 | I583-R625 HydrophobicContact CD1-CB 3.88Å; I583-R625 HydrophobicContact CD1-CG 3.78Å; I583-R625 HydrophobicContact CG1-CB 4.38Å; I583-R625 HydrophobicContact CG1-CG 3.7Å; I583-R625 HydrophobicContact CG2-CG 4.3Å; L614-R625 WeakPolarHBondContact O-CD 3.28Å; L614-R625 PolarHBondContact O-NE 3.38Å; E619-R625 PolarHBondContact O-NH2 3.22Å; E619-R625 IonicContact OE2-NH2 2.6Å; Y620-R625 VanDerWaalsContact O-CZ 3.3Å; Y620-R625 PolarHBondContact O-NH1 2.85Å; Y620-R625 PolarHBondContact O-NH2 3.37Å; G621-R625 VanDerWaalsContact O-CG 3.31Å; G621-R625 WeakPolarHBondContact O-CG 3.23Å; G621-R625 PolarHBondContact O-N 2.76Å; F622-R625 PolarHBondContact O-N 3.25Å; R625-V627 PolarHBondContact O-N 3.06Å; R625-R628 PolarHBondContact O-N 3.4Å; R625-L629 WeakPolarHBondContact O-CB 3.43Å; R625-L629 VanDerWaalsContact O-CG 3.27Å; R625-L629 WeakPolarHBondContact O-CG 3.47Å; R625-L629 PolarHBondContact O-N 3.03Å |
| 626 | Q | 95.7 | Very high | 94.4 | Very high | 25 Ų | 25 | 70.8 Ų | 70.8 | 12% | 0.117 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 179.2 | -171.3 | -168.9 | 78.6 | 0 | 0 | 111.4 | L615 F622 T623 E624 L629 R630 L635 V660 | L615-Q626 HydrophobicContact CD2-CB 4.41Å; L615-Q626 HydrophobicContact CD2-CG 4.26Å; F622-Q626 HydrophobicContact CE2-CB 4.28Å; F622-Q626 HydrophobicContact CZ-CB 4.35Å; F622-Q626 WeakPolarHBondContact O-CB 3.46Å; F622-Q626 PolarHBondContact O-N 2.95Å; T623-Q626 PolarHBondContact O-N 3.14Å; E624-Q626 PolarHBondContact O-N 2.99Å; Q626-L629 PolarHBondContact O-N 2.89Å; Q626-R630 WeakPolarHBondContact O-CB 3.31Å; Q626-R630 PolarHBondContact O-N 3.46Å; Q626-R630 VanDerWaalsContact OE1-NH2 3.17Å; Q626-L635 HydrophobicContact CG-CD1 4.3Å; Q626-V660 PolarHBondContact NE2-O 2.65Å |
| 627 | V | 95.6 | Very high | 94.5 | Very high | 60 Ų | 60 | 67.6 Ų | 67.6 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.3 | -48.8 | 175.6 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | T623 E624 R625 L629 R630 D631 | T623-V627 WeakPolarHBondContact O-CG2 3.44Å; T623-V627 PolarHBondContact O-N 3.25Å; E624-V627 PolarHBondContact O-N 3.29Å; R625-V627 PolarHBondContact O-N 3.06Å; V627-L629 PolarHBondContact O-N 3.34Å; V627-R630 WeakPolarHBondContact O-CA 3.37Å; V627-R630 VanDerWaalsContact O-CB 3.26Å; V627-R630 WeakPolarHBondContact O-CB 3.36Å; V627-R630 PolarHBondContact O-N 3.02Å; V627-D631 VanDerWaalsContact O-CG 3.28Å; V627-D631 PolarHBondContact O-N 3.35Å |
| 628 | R | 96.3 | Very high | 94.7 | Very high | 70 Ų | 70 | 62.1 Ų | 62.1 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | -179 | -170.9 | 58 | 172.2 | 147.1 | 0.4 | 113 | I583 E586 L589 E624 R625 R630 D631 V632 | I583-R628 HydrophobicContact CG2-CB 4.25Å; I583-R628 HydrophobicContact CG2-CG 4.14Å; E586-R628 IonicContact OE2-CZ 3.15Å; E586-R628 IonicContact OE2-NH1 2.71Å; E586-R628 IonicContact OE2-NH2 3.64Å; E586-R628 PolarHBondContact OE2-NH2 3.09Å; L589-R628 HydrophobicContact CD1-CG 4.01Å; E624-R628 PolarHBondContact O-N 3Å; R625-R628 PolarHBondContact O-N 3.4Å; R628-R630 VanDerWaalsContact C-N 3.27Å; R628-R630 PolarHBondContact O-N 3.48Å; R628-D631 PolarHBondContact O-N 2.95Å; R628-V632 WeakPolarHBondContact O-CG2 3.25Å; R628-V632 PolarHBondContact O-N 3.44Å; R628-V632 VanDerWaalsContact O-N 3.1Å |
| 629 | L | 97 | Very high | 95 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.7 | -28.6 | 176.2 | -68.1 | 174.4 | 0 | 0 | 0 | 112.7 | I583 L589 L614 L615 R625 Q626 V627 G633 I634 L635 | I583-L629 HydrophobicContact CD1-CD2 4.34Å; I583-L629 HydrophobicContact CD1-CG 4.28Å; L589-L629 HydrophobicContact CD2-CD2 4Å; L614-L629 HydrophobicContact CB-CD1 3.98Å; L614-L629 HydrophobicContact CD1-CD2 4.26Å; L615-L629 HydrophobicContact CD2-CD1 3.58Å; L615-L629 HydrophobicContact CG-CD1 3.72Å; R625-L629 WeakPolarHBondContact O-CB 3.43Å; R625-L629 VanDerWaalsContact O-CG 3.27Å; R625-L629 WeakPolarHBondContact O-CG 3.47Å; R625-L629 PolarHBondContact O-N 3.03Å; Q626-L629 PolarHBondContact O-N 2.89Å; V627-L629 PolarHBondContact O-N 3.34Å; L629-G633 PolarHBondContact O-N 2.96Å; L629-I634 HydrophobicContact CB-CB 4.44Å; L629-I634 HydrophobicContact CD2-CB 4.26Å; L629-I634 HydrophobicContact CD2-CD1 3.58Å; L629-I634 HydrophobicContact CD2-CG2 4.21Å; L629-I634 PolarHBondContact O-N 3.2Å; L629-L635 HydrophobicContact CB-CD2 4.25Å; L629-L635 HydrophobicContact CB-CG 4.34Å; L629-L635 PolarHBondContact O-N 3.09Å |
| 630 | R | 96.3 | Very high | 95.3 | Very high | 131 Ų | 131 | 63.1 Ų | 63.1 | 49% | 0.494 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.3 | -46.1 | 171.4 | -169.6 | -176.4 | -61.5 | 150.5 | 4.7 | 110.8 | Q626 V627 R628 V632 G633 L635 | Q626-R630 WeakPolarHBondContact O-CB 3.31Å; Q626-R630 PolarHBondContact O-N 3.46Å; Q626-R630 VanDerWaalsContact OE1-NH2 3.17Å; V627-R630 WeakPolarHBondContact O-CA 3.37Å; V627-R630 VanDerWaalsContact O-CB 3.26Å; V627-R630 WeakPolarHBondContact O-CB 3.36Å; V627-R630 PolarHBondContact O-N 3.02Å; R628-R630 VanDerWaalsContact C-N 3.27Å; R628-R630 PolarHBondContact O-N 3.48Å; R630-V632 PolarHBondContact O-N 2.91Å; R630-G633 WeakPolarHBondContact O-CA 3.31Å; R630-G633 PolarHBondContact O-N 3.11Å; R630-L635 HydrophobicContact CB-CD1 3.74Å; R630-L635 HydrophobicContact CB-CG 4.38Å; R630-L635 HydrophobicContact CG-CD1 4.19Å |
| 631 | D | 95.3 | Very high | 95.6 | Very high | 110 Ų | 110 | 53.3 Ų | 53.3 | 59% | 0.588 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.5 | -38.8 | -176.3 | -64.3 | -17.8 | 0 | 0 | 0 | 112.2 | V627 R628 G633 | V627-D631 VanDerWaalsContact O-CG 3.28Å; V627-D631 PolarHBondContact O-N 3.35Å; R628-D631 PolarHBondContact O-N 2.95Å; D631-G633 PolarHBondContact O-N 3.39Å |
| 632 | V | 95.1 | Very high | 95.6 | Very high | 27 Ų | 27 | 55.9 Ų | 55.9 | 16% | 0.164 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -7.3 | 175.1 | -176.6 | 0 | 0 | 0 | 0 | 112.2 | L589 N590 R628 R630 I634 | L589-V632 HydrophobicContact CB-CG1 4.01Å; L589-V632 HydrophobicContact CB-CG2 4.42Å; L589-V632 HydrophobicContact CD1-CG2 3.99Å; N590-V632 WeakPolarHBondContact OD1-CG1 3.43Å; R628-V632 WeakPolarHBondContact O-CG2 3.25Å; R628-V632 PolarHBondContact O-N 3.44Å; R628-V632 VanDerWaalsContact O-N 3.1Å; R630-V632 PolarHBondContact O-N 2.91Å; V632-I634 HydrophobicContact CG1-CD1 4.44Å; V632-I634 HydrophobicContact CG1-CG1 4.49Å |
| 633 | G | 96.4 | Very high | 95.5 | Very high | 24 Ų | 24 | 61 Ų | 61 | 25% | 0.247 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 6.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L629 R630 D631 L635 K636 I637 | L629-G633 PolarHBondContact O-N 2.96Å; R630-G633 WeakPolarHBondContact O-CA 3.31Å; R630-G633 PolarHBondContact O-N 3.11Å; D631-G633 PolarHBondContact O-N 3.39Å; G633-L635 VanDerWaalsContact C-N 3.29Å; G633-L635 PolarHBondContact O-N 3.14Å; G633-K636 WeakPolarHBondContact O-CB 3.44Å; G633-K636 PolarHBondContact O-N 3.49Å; G633-K636 VanDerWaalsContact O-N 3.12Å; G633-I637 PolarHBondContact O-N 3.03Å |
| 634 | I | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.8 | -38.8 | 178.9 | -75.3 | 169.8 | 0 | 0 | 0 | 111.6 | L589 A593 M596 V611 L629 V632 K636 I637 L638 | L589-I634 HydrophobicContact CB-CD1 4.15Å; L589-I634 HydrophobicContact CD2-CD1 4.24Å; A593-I634 HydrophobicContact CB-CD1 4.49Å; A593-I634 HydrophobicContact CB-CG1 3.89Å; M596-I634 HydrophobicContact CE-CG2 4.32Å; M596-I634 HydrophobicContact SD-CG2 3.99Å; V611-I634 HydrophobicContact CB-CG2 4.33Å; V611-I634 HydrophobicContact CG1-CG2 3.64Å; V611-I634 HydrophobicContact CG2-CG2 3.64Å; L629-I634 HydrophobicContact CB-CB 4.44Å; L629-I634 HydrophobicContact CD2-CB 4.26Å; L629-I634 HydrophobicContact CD2-CD1 3.58Å; L629-I634 HydrophobicContact CD2-CG2 4.21Å; L629-I634 PolarHBondContact O-N 3.2Å; V632-I634 HydrophobicContact CG1-CD1 4.44Å; V632-I634 HydrophobicContact CG1-CG1 4.49Å; I634-K636 VanDerWaalsContact C-N 3.26Å; I634-K636 PolarHBondContact O-N 2.96Å; I634-I637 WeakPolarHBondContact O-CB 3.19Å; I634-I637 PolarHBondContact O-N 3.29Å; I634-I637 VanDerWaalsContact O-N 3.16Å; I634-L638 PolarHBondContact O-N 3.48Å |
| 635 | L | 96.6 | Very high | 95.3 | Very high | 14 Ų | 14 | 59.4 Ų | 59.4 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -34.2 | 178.1 | -60.6 | -172.1 | 0 | 0 | 0 | 112.6 | L615 Q626 L629 R630 G633 L638 Q639 V660 | L615-L635 HydrophobicContact CD1-CD2 3.98Å; L615-L635 HydrophobicContact CD2-CD2 4.04Å; Q626-L635 HydrophobicContact CG-CD1 4.3Å; L629-L635 HydrophobicContact CB-CD2 4.25Å; L629-L635 HydrophobicContact CB-CG 4.34Å; L629-L635 PolarHBondContact O-N 3.09Å; R630-L635 HydrophobicContact CB-CD1 3.74Å; R630-L635 HydrophobicContact CB-CG 4.38Å; R630-L635 HydrophobicContact CG-CD1 4.19Å; G633-L635 VanDerWaalsContact C-N 3.29Å; G633-L635 PolarHBondContact O-N 3.14Å; L635-L638 PolarHBondContact O-N 3.41Å; L635-Q639 WeakPolarHBondContact O-CG 3.49Å; L635-Q639 PolarHBondContact O-N 3.38Å; L635-Q639 VanDerWaalsContact O-N 3.14Å; L635-V660 HydrophobicContact CD1-CG1 4.29Å; L635-V660 HydrophobicContact CD2-CG2 3.96Å |
| 636 | K | 96.3 | Very high | 95.3 | Very high | 139 Ų | 139 | 61.3 Ų | 61.3 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -69.2 | -41 | 176.1 | -175.5 | -179.7 | 177.9 | -178.5 | 0 | 111.1 | G633 I634 L638 Q639 Q640 | G633-K636 WeakPolarHBondContact O-CB 3.44Å; G633-K636 PolarHBondContact O-N 3.49Å; G633-K636 VanDerWaalsContact O-N 3.12Å; I634-K636 VanDerWaalsContact C-N 3.26Å; I634-K636 PolarHBondContact O-N 2.96Å; K636-L638 VanDerWaalsContact C-N 3.3Å; K636-L638 PolarHBondContact O-N 3.31Å; K636-Q639 PolarHBondContact O-N 3.2Å; K636-Q640 WeakPolarHBondContact O-CG 3.31Å; K636-Q640 PolarHBondContact O-N 2.88Å; K636-Q640 VanDerWaalsContact O-N 3.07Å |
| 637 | I | 97.1 | Very high | 95.3 | Very high | 16 Ų | 16 | 64.5 Ų | 64.5 | 8% | 0.082 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62 | -43 | 175.4 | -61.1 | 167 | 0 | 0 | 0 | 109.9 | A593 M596 Q597 G633 I634 Q639 Q640 L641 | A593-I637 HydrophobicContact CB-CD1 3.58Å; M596-I637 HydrophobicContact CB-CG2 3.87Å; M596-I637 HydrophobicContact CE-CB 4.26Å; M596-I637 HydrophobicContact CE-CG2 3.87Å; M596-I637 HydrophobicContact SD-CG2 4.3Å; Q597-I637 HydrophobicContact CG-CG2 3.57Å; G633-I637 PolarHBondContact O-N 3.03Å; I634-I637 WeakPolarHBondContact O-CB 3.19Å; I634-I637 PolarHBondContact O-N 3.29Å; I634-I637 VanDerWaalsContact O-N 3.16Å; I637-Q639 VanDerWaalsContact C-N 3.31Å; I637-Q639 PolarHBondContact O-N 3.12Å; I637-Q640 WeakPolarHBondContact O-CB 3.17Å; I637-Q640 PolarHBondContact O-N 3.09Å; I637-Q640 VanDerWaalsContact O-N 3.09Å; I637-L641 HydrophobicContact CG2-CD1 4.27Å; I637-L641 HydrophobicContact CG2-CG 4.47Å; I637-L641 WeakPolarHBondContact O-CG 3.28Å; I637-L641 PolarHBondContact O-N 2.81Å |
| 638 | L | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 177.8 | -164 | 70 | 0 | 0 | 0 | 112.1 | M596 V608 L615 I634 L635 K636 L641 V653 L657 | M596-L638 HydrophobicContact CE-CB 4.16Å; M596-L638 HydrophobicContact CE-CD1 3.83Å; V608-L638 HydrophobicContact CG1-CD1 3.89Å; L615-L638 HydrophobicContact CD1-CD2 4.11Å; I634-L638 PolarHBondContact O-N 3.48Å; L635-L638 PolarHBondContact O-N 3.41Å; K636-L638 VanDerWaalsContact C-N 3.3Å; K636-L638 PolarHBondContact O-N 3.31Å; L638-L641 PolarHBondContact O-N 3.03Å; L638-V653 HydrophobicContact CD1-CB 4.47Å; L638-V653 HydrophobicContact CD1-CG1 4.14Å; L638-V653 HydrophobicContact CD1-CG2 4.31Å; L638-V653 HydrophobicContact CG-CG1 4.25Å; L638-V653 WeakPolarHBondContact O-CG1 3.46Å; L638-L657 HydrophobicContact CB-CD2 4.33Å; L638-L657 HydrophobicContact CD2-CD2 3.65Å; L638-L657 HydrophobicContact CD2-CG 3.74Å; L638-L657 HydrophobicContact CG-CD2 3.95Å; L638-L657 HydrophobicContact CG-CG 3.9Å |
| 639 | Q | 96.2 | Very high | 95.3 | Very high | 122 Ų | 122 | 60.7 Ų | 60.7 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.5 | -39.5 | 173.2 | -70.4 | 173.3 | -7.5 | 0 | 0 | 112.7 | L635 K636 I637 L641 L642 L657 | L635-Q639 WeakPolarHBondContact O-CG 3.49Å; L635-Q639 PolarHBondContact O-N 3.38Å; L635-Q639 VanDerWaalsContact O-N 3.14Å; K636-Q639 PolarHBondContact O-N 3.2Å; I637-Q639 VanDerWaalsContact C-N 3.31Å; I637-Q639 PolarHBondContact O-N 3.12Å; Q639-L641 VanDerWaalsContact C-N 3.28Å; Q639-L641 PolarHBondContact O-N 2.83Å; Q639-L642 WeakPolarHBondContact O-CB 3.49Å; Q639-L642 PolarHBondContact O-N 2.79Å; Q639-L657 HydrophobicContact CG-CD2 4.04Å |
| 640 | Q | 95.2 | Very high | 95.3 | Very high | 96 Ų | 96 | 64.2 Ų | 64.2 | 45% | 0.449 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.7 | -33.9 | 177.3 | -70.2 | 169.9 | -19.1 | 0 | 0 | 112.2 | K636 I637 L642 N643 | K636-Q640 WeakPolarHBondContact O-CG 3.31Å; K636-Q640 PolarHBondContact O-N 2.88Å; K636-Q640 VanDerWaalsContact O-N 3.07Å; I637-Q640 WeakPolarHBondContact O-CB 3.17Å; I637-Q640 PolarHBondContact O-N 3.09Å; I637-Q640 VanDerWaalsContact O-N 3.09Å; Q640-L642 PolarHBondContact O-N 3.12Å; Q640-N643 PolarHBondContact O-N 3.46Å |
| 641 | L | 95.2 | Very high | 95.3 | Very high | 14 Ų | 14 | 62.6 Ų | 62.6 | 7% | 0.073 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -71.8 | -3.8 | 178.1 | -68.6 | 173.9 | 0 | 0 | 0 | 114 | M596 V608 I637 L638 Q639 N643 V644 V653 | M596-L641 HydrophobicContact CB-CD1 4.14Å; M596-L641 HydrophobicContact CE-CD1 3.88Å; V608-L641 HydrophobicContact CG2-CD1 3.79Å; I637-L641 HydrophobicContact CG2-CD1 4.27Å; I637-L641 HydrophobicContact CG2-CG 4.47Å; I637-L641 WeakPolarHBondContact O-CG 3.28Å; I637-L641 PolarHBondContact O-N 2.81Å; L638-L641 PolarHBondContact O-N 3.03Å; Q639-L641 VanDerWaalsContact C-N 3.28Å; Q639-L641 PolarHBondContact O-N 2.83Å; L641-N643 PolarHBondContact O-N 3.3Å; L641-N643 VanDerWaalsContact O-N 3.15Å; L641-V644 HydrophobicContact CB-CG1 4.26Å; L641-V644 HydrophobicContact CD2-CG1 3.77Å; L641-V644 VanDerWaalsContact O-CG1 3.31Å; L641-V644 WeakPolarHBondContact O-CG1 3.32Å; L641-V644 WeakPolarHBondContact O-CG2 3.48Å; L641-V644 PolarHBondContact O-N 2.76Å; L641-V653 HydrophobicContact CB-CG1 4.19Å; L641-V653 HydrophobicContact CB-CG2 3.74Å; L641-V653 HydrophobicContact CD1-CG2 4.32Å |
| 642 | L | 92.7 | Very high | 95.4 | Very high | 70 Ų | 70 | 57.6 Ų | 57.6 | 37% | 0.366 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -62.8 | -16.5 | 169.6 | -78.1 | 169.3 | 0 | 0 | 0 | 113.3 | Q639 Q640 V644 F650 V653 L657 | Q639-L642 WeakPolarHBondContact O-CB 3.49Å; Q639-L642 PolarHBondContact O-N 2.79Å; Q640-L642 PolarHBondContact O-N 3.12Å; L642-V644 VanDerWaalsContact C-N 3.35Å; L642-F650 HydrophobicContact CD2-CE2 4.22Å; L642-F650 WeakPolarHBondContact O-CE2 3.46Å; L642-V653 HydrophobicContact CD2-CG1 4.12Å; L642-V653 HydrophobicContact CG-CG1 4.2Å; L642-L657 HydrophobicContact CD1-CD1 3.66Å; L642-L657 HydrophobicContact CD2-CD1 3.82Å; L642-L657 HydrophobicContact CG-CD1 3.7Å |
| 643 | N | 91.4 | Very high | 95.5 | Very high | 144 Ų | 144 | 56.3 Ų | 56.3 | 77% | 0.77 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -89.3 | 3.3 | 179.1 | -60.7 | -29.5 | 0 | 0 | 0 | 113.6 | Q640 L641 | Q640-N643 PolarHBondContact O-N 3.46Å; L641-N643 PolarHBondContact O-N 3.3Å; L641-N643 VanDerWaalsContact O-N 3.15Å |
| 644 | V | 92.6 | Very high | 95.5 | Very high | 35 Ų | 35 | 60.1 Ų | 60.1 | 21% | 0.212 | 32% | 0.317 | C | S | . | . | trans | -68.5 | 145.6 | 178.3 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | L641 L642 L649 F650 | L641-V644 HydrophobicContact CB-CG1 4.26Å; L641-V644 HydrophobicContact CD2-CG1 3.77Å; L641-V644 VanDerWaalsContact O-CG1 3.31Å; L641-V644 WeakPolarHBondContact O-CG1 3.32Å; L641-V644 WeakPolarHBondContact O-CG2 3.48Å; L641-V644 PolarHBondContact O-N 2.76Å; L642-V644 VanDerWaalsContact C-N 3.35Å; V644-L649 HydrophobicContact CB-CD2 4.15Å; V644-L649 HydrophobicContact CG1-CD2 3.86Å; V644-L649 HydrophobicContact CG2-CB 4.2Å; V644-L649 HydrophobicContact CG2-CD2 4.09Å; V644-L649 HydrophobicContact CG2-CG 4Å; V644-F650 HydrophobicContact CG2-CB 4.01Å | ||
| 645 | T | 91.1 | Very high | 95.5 | Very high | 143 Ų | 143 | 62.6 Ų | 62.6 | 88% | 0.877 | 33% | 0.33 | S | S | * | . | trans | -90.8 | -19.7 | -178.4 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | P647 | T645-P647 WeakPolarHBondContact O-CD 3.48Š| ||
| 646 | D | 95.9 | Very high | 95.5 | Very high | 47 Ų | 47 | 62 Ų | 62 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | trans | -71.2 | 121.5 | 178 | -178.8 | -97.9 | 0 | 0 | 0 | 110.5 | L601 A648 L649 F650 | L601-D646 HydrophobicContact CD1-CB 3.95Å; L601-D646 HydrophobicContact CD2-CB 4.37Å; D646-A648 VanDerWaalsContact C-N 3.34Å; D646-A648 PolarHBondContact O-N 3.06Å; D646-A648 WeakPolarHBondContact OD1-CB 3.49Å; D646-A648 PolarHBondContact OD1-N 3.11Å; D646-A648 VanDerWaalsContact OD1-N 3.11Å; D646-L649 HydrophobicContact CB-CB 4.16Å; D646-L649 PolarHBondContact O-N 3.44Å; D646-L649 PolarHBondContact OD1-N 3.42Å; D646-F650 WeakPolarHBondContact O-CB 3.34Å; D646-F650 PolarHBondContact O-N 3.47Å | ||
| 647 | P | 95.3 | Very high | 95.5 | Very high | 92 Ų | 92 | 57.1 Ų | 57.1 | 60% | 0.597 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.8 | -39.3 | -175.9 | -24.1 | 33.7 | 0 | 0 | 0 | 113.4 | T645 F650 D651 | T645-P647 WeakPolarHBondContact O-CD 3.48Å; P647-F650 PolarHBondContact O-N 3.43Å; P647-D651 WeakPolarHBondContact O-CB 3.45Å; P647-D651 PolarHBondContact O-N 3.37Å |
| 648 | A | 95.7 | Very high | 95.4 | Very high | 49 Ų | 49 | 61.6 Ų | 61.6 | 41% | 0.405 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.3 | -40.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M605 D646 L652 | M605-A648 HydrophobicContact CE-CB 3.87Å; D646-A648 VanDerWaalsContact C-N 3.34Å; D646-A648 PolarHBondContact O-N 3.06Å; D646-A648 WeakPolarHBondContact OD1-CB 3.49Å; D646-A648 PolarHBondContact OD1-N 3.11Å; D646-A648 VanDerWaalsContact OD1-N 3.11Å; A648-L652 WeakPolarHBondContact O-CB 3.43Å; A648-L652 PolarHBondContact O-N 2.83Å |
| 649 | L | 96.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 172.8 | -175.2 | 60.6 | 0 | 0 | 0 | 111.3 | L601 Q604 M605 V608 V644 D646 L652 V653 | L601-L649 HydrophobicContact CD1-CB 4.02Å; L601-L649 HydrophobicContact CD1-CD2 3.93Å; Q604-L649 HydrophobicContact CB-CD1 4.44Å; Q604-L649 HydrophobicContact CB-CD2 4.18Å; M605-L649 HydrophobicContact CG-CB 4.4Å; M605-L649 HydrophobicContact CG-CD1 4.1Å; V608-L649 HydrophobicContact CB-CD1 4.23Å; V608-L649 HydrophobicContact CG2-CD1 3.86Å; V644-L649 HydrophobicContact CB-CD2 4.15Å; V644-L649 HydrophobicContact CG1-CD2 3.86Å; V644-L649 HydrophobicContact CG2-CB 4.2Å; V644-L649 HydrophobicContact CG2-CD2 4.09Å; V644-L649 HydrophobicContact CG2-CG 4Å; D646-L649 HydrophobicContact CB-CB 4.16Å; D646-L649 PolarHBondContact O-N 3.44Å; D646-L649 PolarHBondContact OD1-N 3.42Å; L649-L652 PolarHBondContact O-N 3.06Å; L649-V653 HydrophobicContact CD1-CG2 4.34Å; L649-V653 HydrophobicContact CG-CG2 4.39Å; L649-V653 VanDerWaalsContact O-CG2 3.26Å; L649-V653 WeakPolarHBondContact O-CG2 3.4Å; L649-V653 PolarHBondContact O-N 2.84Å |
| 650 | F | 96.8 | Very high | 94.8 | Very high | 73 Ų | 73 | 60.9 Ų | 60.9 | 32% | 0.32 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.3 | -48.9 | 178 | 177.9 | -94 | 0 | 0 | 0 | 111.9 | L642 V644 D646 P647 L652 V653 K654 | L642-F650 HydrophobicContact CD2-CE2 4.22Å; L642-F650 WeakPolarHBondContact O-CE2 3.46Å; V644-F650 HydrophobicContact CG2-CB 4.01Å; D646-F650 WeakPolarHBondContact O-CB 3.34Å; D646-F650 PolarHBondContact O-N 3.47Å; P647-F650 PolarHBondContact O-N 3.43Å; F650-L652 VanDerWaalsContact C-N 3.28Å; F650-L652 PolarHBondContact O-N 3.24Å; F650-V653 PolarHBondContact O-N 2.6Å; F650-K654 HydrophobicContact CE1-CD 4.35Å; F650-K654 WeakPolarHBondContact O-CB 3.49Å; F650-K654 PolarHBondContact O-N 2.63Å |
| 651 | D | 97 | Very high | 94.8 | Very high | 98 Ų | 98 | 59.1 Ų | 59.1 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.7 | -38.6 | 178.4 | -76.4 | -22.7 | 0 | 0 | 0 | 111.7 | P647 K654 L655 | P647-D651 WeakPolarHBondContact O-CB 3.45Å; P647-D651 PolarHBondContact O-N 3.37Å; D651-K654 PolarHBondContact O-N 2.86Å; D651-L655 WeakPolarHBondContact O-CB 3.34Å; D651-L655 PolarHBondContact O-N 2.83Å |
| 652 | L | 97.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 176.8 | -178.8 | 54.4 | 0 | 0 | 0 | 112.7 | V608 R609 C612 A648 L649 F650 K654 L655 S656 | V608-L652 HydrophobicContact CB-CD2 4.12Å; V608-L652 HydrophobicContact CB-CG 4.35Å; V608-L652 HydrophobicContact CG1-CD2 4.12Å; V608-L652 HydrophobicContact CG1-CG 3.79Å; R609-L652 HydrophobicContact CB-CD2 4.05Å; R609-L652 VanDerWaalsContact NH1-CD1 3.31Å; C612-L652 HydrophobicContact CB-CD1 4.11Å; A648-L652 WeakPolarHBondContact O-CB 3.43Å; A648-L652 PolarHBondContact O-N 2.83Å; L649-L652 PolarHBondContact O-N 3.06Å; F650-L652 VanDerWaalsContact C-N 3.28Å; F650-L652 PolarHBondContact O-N 3.24Å; L652-K654 VanDerWaalsContact C-N 3.34Å; L652-L655 PolarHBondContact O-N 3.35Å; L652-S656 WeakPolarHBondContact O-CB 3.27Å; L652-S656 PolarHBondContact O-N 3.47Å; L652-S656 PolarHBondContact O-OG 2.92Å |
| 653 | V | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 174.5 | 169.4 | 0 | 0 | 0 | 0 | 110.2 | V608 L638 L641 L642 L649 F650 S656 L657 | V608-V653 HydrophobicContact CG1-CG2 3.9Å; V608-V653 HydrophobicContact CG2-CG2 4.44Å; L638-V653 HydrophobicContact CD1-CB 4.47Å; L638-V653 HydrophobicContact CD1-CG1 4.14Å; L638-V653 HydrophobicContact CD1-CG2 4.31Å; L638-V653 HydrophobicContact CG-CG1 4.25Å; L638-V653 WeakPolarHBondContact O-CG1 3.46Å; L641-V653 HydrophobicContact CB-CG1 4.19Å; L641-V653 HydrophobicContact CB-CG2 3.74Å; L641-V653 HydrophobicContact CD1-CG2 4.32Å; L642-V653 HydrophobicContact CD2-CG1 4.12Å; L642-V653 HydrophobicContact CG-CG1 4.2Å; L649-V653 HydrophobicContact CD1-CG2 4.34Å; L649-V653 HydrophobicContact CG-CG2 4.39Å; L649-V653 VanDerWaalsContact O-CG2 3.26Å; L649-V653 WeakPolarHBondContact O-CG2 3.4Å; L649-V653 PolarHBondContact O-N 2.84Å; F650-V653 PolarHBondContact O-N 2.6Å; V653-S656 WeakPolarHBondContact O-CB 3.43Å; V653-S656 PolarHBondContact O-N 3.36Å; V653-L657 HydrophobicContact CG1-CD1 4.01Å; V653-L657 WeakPolarHBondContact O-CG 3.32Å; V653-L657 PolarHBondContact O-N 3.4Å |
| 654 | K | 97 | Very high | 95.1 | Very high | 103 Ų | 103 | 56.1 Ų | 56.1 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 177.2 | -173.1 | 179.8 | 178.9 | -177.4 | 0 | 111.7 | F650 D651 L652 S656 L657 Q658 | F650-K654 HydrophobicContact CE1-CD 4.35Å; F650-K654 WeakPolarHBondContact O-CB 3.49Å; F650-K654 PolarHBondContact O-N 2.63Å; D651-K654 PolarHBondContact O-N 2.86Å; L652-K654 VanDerWaalsContact C-N 3.34Å; K654-S656 VanDerWaalsContact C-N 3.29Å; K654-S656 PolarHBondContact O-N 3.39Å; K654-L657 PolarHBondContact O-N 3.4Å; K654-Q658 WeakPolarHBondContact O-CG 3.45Å; K654-Q658 PolarHBondContact O-N 3.33Å |
| 655 | L | 96.8 | Very high | 95.2 | Very high | 53 Ų | 53 | 57.4 Ų | 57.4 | 28% | 0.277 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 174.4 | 177.1 | 63.7 | 0 | 0 | 0 | 111 | W616 D651 L652 L657 Q658 Q659 | W616-L655 HydrophobicContact CZ3-CD2 4.5Å; D651-L655 WeakPolarHBondContact O-CB 3.34Å; D651-L655 PolarHBondContact O-N 2.83Å; L652-L655 PolarHBondContact O-N 3.35Å; L655-L657 PolarHBondContact O-N 2.54Å; L655-Q658 WeakPolarHBondContact O-CB 3.13Å; L655-Q658 PolarHBondContact O-N 3.26Å; L655-Q659 WeakPolarHBondContact O-CG 3.4Å |
| 656 | S | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 179.5 | -54.4 | 0 | 0 | 0 | 0 | 112 | C612 L652 V653 K654 Q658 Q659 | C612-S656 WeakPolarHBondContact CB-OG 3.49Å; C612-S656 PolarHBondContact SG-OG 3.31Å; C612-S656 VanDerWaalsContact SG-OG 3.41Å; L652-S656 WeakPolarHBondContact O-CB 3.27Å; L652-S656 PolarHBondContact O-N 3.47Å; L652-S656 PolarHBondContact O-OG 2.92Å; V653-S656 WeakPolarHBondContact O-CB 3.43Å; V653-S656 PolarHBondContact O-N 3.36Å; K654-S656 VanDerWaalsContact C-N 3.29Å; K654-S656 PolarHBondContact O-N 3.39Å; S656-Q658 VanDerWaalsContact C-N 3.33Å; S656-Q658 PolarHBondContact O-N 3.27Å; S656-Q659 WeakPolarHBondContact O-CB 3.04Å; S656-Q659 PolarHBondContact O-N 3.11Å |
| 657 | L | 95.8 | Very high | 95.5 | Very high | 37 Ų | 37 | 52.1 Ų | 52.1 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.9 | -27.4 | 177.4 | -73.9 | 168 | 0 | 0 | 0 | 113.3 | L638 Q639 L642 V653 K654 L655 Q659 V660 | L638-L657 HydrophobicContact CB-CD2 4.33Å; L638-L657 HydrophobicContact CD2-CD2 3.65Å; L638-L657 HydrophobicContact CD2-CG 3.74Å; L638-L657 HydrophobicContact CG-CD2 3.95Å; L638-L657 HydrophobicContact CG-CG 3.9Å; Q639-L657 HydrophobicContact CG-CD2 4.04Å; L642-L657 HydrophobicContact CD1-CD1 3.66Å; L642-L657 HydrophobicContact CD2-CD1 3.82Å; L642-L657 HydrophobicContact CG-CD1 3.7Å; V653-L657 HydrophobicContact CG1-CD1 4.01Å; V653-L657 WeakPolarHBondContact O-CG 3.32Å; V653-L657 PolarHBondContact O-N 3.4Å; K654-L657 PolarHBondContact O-N 3.4Å; L655-L657 PolarHBondContact O-N 2.54Å; L657-Q659 PolarHBondContact O-N 3Å; L657-V660 PolarHBondContact O-N 3.35Å |
| 658 | Q | 94.9 | Very high | 95.5 | Very high | 110 Ų | 110 | 49 Ų | 49 | 51% | 0.514 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -15.2 | 173.3 | -73.5 | 172.9 | -10.9 | 0 | 0 | 113.5 | K654 L655 S656 | K654-Q658 WeakPolarHBondContact O-CG 3.45Å; K654-Q658 PolarHBondContact O-N 3.33Å; L655-Q658 WeakPolarHBondContact O-CB 3.13Å; L655-Q658 PolarHBondContact O-N 3.26Å; S656-Q658 VanDerWaalsContact C-N 3.33Å; S656-Q658 PolarHBondContact O-N 3.27Å |
| 659 | Q | 92.8 | Very high | 95.5 | Very high | 17 Ų | 17 | 49 Ų | 49 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -14.6 | 174.3 | -56 | -58.7 | -34.9 | 0 | 0 | 112.9 | L615 W616 F622 L655 S656 L657 | L615-Q659 HydrophobicContact CB-CB 3.92Å; L615-Q659 VanDerWaalsContact O-CB 3.24Å; L615-Q659 WeakPolarHBondContact O-CB 3.36Å; W616-Q659 HydrophobicContact CE3-CG 4.21Å; F622-Q659 VanDerWaalsContact CE2-O 3.24Å; F622-Q659 WeakPolarHBondContact CE2-O 3.4Å; F622-Q659 WeakPolarHBondContact CZ-O 3.23Å; L655-Q659 WeakPolarHBondContact O-CG 3.4Å; S656-Q659 WeakPolarHBondContact O-CB 3.04Å; S656-Q659 PolarHBondContact O-N 3.11Å; L657-Q659 PolarHBondContact O-N 3Å |
| 660 | V | 87.8 | Confident | 95.4 | Very high | 90 Ų | 90 | 53.3 Ų | 53.3 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | trans | -80.9 | 0 | 176 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | L615 Q626 L635 L657 | L615-V660 HydrophobicContact CD1-CG2 3.78Å; L615-V660 HydrophobicContact CD2-CG2 4.2Å; Q626-V660 PolarHBondContact NE2-O 2.65Å; L635-V660 HydrophobicContact CD1-CG1 4.29Å; L635-V660 HydrophobicContact CD2-CG2 3.96Å; L657-V660 PolarHBondContact O-N 3.35Å |
Retrieved 660 of 660 residues in 575.4 ms
(Link to these results)