| 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 | 40.6 | Very low | 40.8 | Very low | 244 Ų | 244 | 129 Ų | 129 | 100% | 1.202 | 80% | 0.796 | S | S | * | * | 0 | 120.4 | 0 | -72 | -164.8 | 169.1 | 0 | 0 | 107.4 | |||||
| 2 | A | 38.9 | Very low | 40.8 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 88% | 0.884 | 81% | 0.806 | S | S | * | * | trans | -79 | 132.1 | -165 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 3 | S | 43.8 | Very low | 41.6 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | -66.9 | 124.7 | 166.9 | -58.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 4 | G | 37.7 | Very low | 41.7 | Very low | 70 Ų | 70 | 127.4 Ų | 127.4 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -128.5 | 77.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V6 | G4-V6 PolarHBondContact O-N 3.43Š| ||
| 5 | S | 37.5 | Very low | 42.5 | Very low | 80 Ų | 80 | 132.8 Ų | 132.8 | 56% | 0.559 | 79% | 0.793 | S | S | * | * | trans | -80.6 | 100.1 | 166.8 | 175.1 | 0 | 0 | 0 | 0 | 107.7 | Y7 | S5-Y7 WeakPolarHBondContact O-CD2 3.25Å; S5-Y7 WeakPolarHBondContact O-CE1 3.43Å; S5-Y7 WeakPolarHBondContact O-CE2 3.35Å; S5-Y7 PolarHBondContact O-N 3.32Å | ||
| 6 | V | 45.7 | Very low | 43.2 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -72.5 | 97.9 | 173.9 | -178.5 | 0 | 0 | 0 | 0 | 108 | G4 M8 | G4-V6 PolarHBondContact O-N 3.43Å; V6-M8 PolarHBondContact O-N 3.03Å; V6-M8 VanDerWaalsContact O-N 3.12Å | ||
| 7 | Y | 42.1 | Very low | 44.2 | Very low | 188 Ų | 188 | 136.2 Ų | 136.2 | 74% | 0.737 | 80% | 0.796 | S | S | * | * | trans | -68.1 | 106.8 | 168.6 | -25.2 | -85 | 0 | 0 | 0 | 107.4 | S5 S9 | S5-Y7 WeakPolarHBondContact O-CD2 3.25Å; S5-Y7 WeakPolarHBondContact O-CE1 3.43Å; S5-Y7 WeakPolarHBondContact O-CE2 3.35Å; S5-Y7 PolarHBondContact O-N 3.32Å; Y7-S9 VanDerWaalsContact C-N 3.29Å; Y7-S9 PolarHBondContact O-N 3.16Å | ||
| 8 | M | 42.7 | Very low | 45.3 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 80% | 0.803 | 78% | 0.784 | S | S | * | * | trans | -65.2 | 93.1 | 163.4 | -73.6 | -110.1 | 131.1 | 0 | 0 | 107.9 | V6 S10 | V6-M8 PolarHBondContact O-N 3.03Å; V6-M8 VanDerWaalsContact O-N 3.12Å; M8-S10 PolarHBondContact O-N 3.38Å | ||
| 9 | S | 38.6 | Very low | 46.8 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | -67.7 | 74.3 | 165 | -71.3 | 0 | 0 | 0 | 0 | 109.1 | Y7 S11 | Y7-S9 VanDerWaalsContact C-N 3.29Å; Y7-S9 PolarHBondContact O-N 3.16Å; S9-S11 VanDerWaalsContact C-N 3.33Å; S9-S11 PolarHBondContact O-N 3.33Å | ||
| 10 | S | 39.5 | Very low | 48.9 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | -65.4 | 99.6 | 162.2 | -71.4 | 0 | 0 | 0 | 0 | 106.7 | M8 M12 | M8-S10 PolarHBondContact O-N 3.38Å; S10-M12 VanDerWaalsContact C-N 3.31Å; S10-M12 PolarHBondContact O-N 3.08Å | ||
| 11 | S | 41.7 | Very low | 50.8 | Low | 100 Ų | 100 | 126.3 Ų | 126.3 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | -57.3 | 96.7 | 170.6 | 53.8 | 0 | 0 | 0 | 0 | 108.5 | S9 V13 | S9-S11 VanDerWaalsContact C-N 3.33Å; S9-S11 PolarHBondContact O-N 3.33Å; S11-V13 PolarHBondContact O-N 3.13Å | ||
| 12 | M | 41.6 | Very low | 53.2 | Low | 184 Ų | 184 | 117.9 Ų | 117.9 | 91% | 0.906 | 70% | 0.702 | S | S | * | * | trans | -63.2 | 88.4 | 161.4 | -68.6 | -179.2 | 65.5 | 0 | 0 | 106.8 | S10 G14 | S10-M12 VanDerWaalsContact C-N 3.31Å; S10-M12 PolarHBondContact O-N 3.08Å; M12-G14 PolarHBondContact O-N 3.38Å | ||
| 13 | V | 50.5 | Low | 55.7 | Low | 125 Ų | 125 | 118.8 Ų | 118.8 | 76% | 0.758 | 69% | 0.692 | S | S | * | * | trans | -70.1 | 78.7 | 164.1 | 179.2 | 0 | 0 | 0 | 0 | 105.8 | S11 K15 | S11-V13 PolarHBondContact O-N 3.13Å; V13-K15 PolarHBondContact O-N 3.36Å | ||
| 14 | G | 43.7 | Very low | 58.1 | Low | 55 Ų | 55 | 115.1 Ų | 115.1 | 57% | 0.567 | 67% | 0.666 | S | S | * | * | trans | -50.3 | 132.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | M12 A16 | M12-G14 PolarHBondContact O-N 3.38Å; G14-A16 PolarHBondContact O-N 3.1Å | ||
| 15 | K | 52.7 | Low | 60.7 | Low | 209 Ų | 209 | 112.1 Ų | 112.1 | 91% | 0.909 | 63% | 0.633 | S | S | * | * | trans | -63.4 | 79.3 | 174.6 | -67.6 | 173.3 | 178.9 | 176.5 | 0 | 107.6 | V13 R17 | V13-K15 PolarHBondContact O-N 3.36Å; K15-R17 PolarHBondContact O-N 2.87Å | ||
| 16 | A | 53.8 | Low | 63.4 | Low | 90 Ų | 90 | 111.8 Ų | 111.8 | 74% | 0.744 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 127.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | G14 S18 | G14-A16 PolarHBondContact O-N 3.1Å; A16-S18 PolarHBondContact O-N 3.32Å |
| 17 | R | 61 | Low | 65.8 | Low | 234 Ų | 234 | 110.1 Ų | 110.1 | 88% | 0.883 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 119 | 174.6 | -71.6 | 174.1 | 70.8 | -175.4 | 2.9 | 105.8 | K15 S19 | K15-R17 PolarHBondContact O-N 2.87Å; R17-S19 PolarHBondContact O-N 3.16Å; R17-S19 VanDerWaalsContact O-N 3.16Å |
| 18 | S | 63.4 | Low | 68.3 | Low | 84 Ų | 84 | 102.6 Ų | 102.6 | 59% | 0.587 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 129.4 | 178.4 | 65.1 | 0 | 0 | 0 | 0 | 107.6 | A16 N20 | A16-S18 PolarHBondContact O-N 3.32Å; S18-N20 PolarHBondContact O-N 3.07Å |
| 19 | S | 74.3 | Confident | 70.9 | Confident | 71 Ų | 71 | 94.9 Ų | 94.9 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -48.6 | 141.2 | 178.5 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | R17 R74 | R17-S19 PolarHBondContact O-N 3.16Å; R17-S19 VanDerWaalsContact O-N 3.16Å; S19-R74 VanDerWaalsContact O-CZ 3.31Å; S19-R74 PolarHBondContact O-NH1 3.27Å; S19-R74 PolarHBondContact O-NH2 2.94Å |
| 20 | N | 87.4 | Confident | 73.6 | Confident | 138 Ų | 138 | 93 Ų | 93 | 74% | 0.738 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 148.3 | 177 | -72.6 | -62.1 | 0 | 0 | 0 | 109.8 | S18 T22 | S18-N20 PolarHBondContact O-N 3.07Å; N20-T22 PolarHBondContact O-N 3.26Å |
| 21 | F | 89.8 | Confident | 76.4 | Confident | 43 Ų | 43 | 95.1 Ų | 95.1 | 19% | 0.189 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 121.6 | 176 | -67.9 | -84 | 0 | 0 | 0 | 110.5 | E25 K26 R74 L79 L82 | F21-E25 WeakPolarHBondContact CA-OE2 3.44Å; F21-E25 HydrophobicContact CD1-CB 4.19Å; F21-K26 HydrophobicContact CB-CG 4.28Å; F21-K26 WeakPolarHBondContact O-CE 3.44Å; F21-R74 HydrophobicContact CE1-CG 3.93Å; F21-R74 HydrophobicContact CZ-CG 4.34Å; F21-L79 HydrophobicContact CE1-CD2 3.97Å; F21-L79 HydrophobicContact CZ-CD2 4.26Å; F21-L82 HydrophobicContact CB-CD1 4.22Å; F21-L82 HydrophobicContact CB-CD2 3.98Å; F21-L82 HydrophobicContact CD1-CD2 3.44Å; F21-L82 VanDerWaalsContact CD1-CD2 3.44Å; F21-L82 HydrophobicContact CD2-CB 4.4Å; F21-L82 HydrophobicContact CD2-CD1 3.84Å; F21-L82 HydrophobicContact CD2-CD2 3.73Å; F21-L82 HydrophobicContact CD2-CG 4.21Å; F21-L82 HydrophobicContact CE1-CD2 3.66Å; F21-L82 HydrophobicContact CE2-CB 4.1Å; F21-L82 HydrophobicContact CE2-CD1 4.38Å; F21-L82 HydrophobicContact CE2-CD2 3.95Å; F21-L82 HydrophobicContact CE2-CG 4.38Å; F21-L82 HydrophobicContact CG-CD1 4.1Å; F21-L82 HydrophobicContact CG-CD2 3.45Å; F21-L82 VanDerWaalsContact CG-CD2 3.45Å; F21-L82 HydrophobicContact CG-CG 4.35Å; F21-L82 HydrophobicContact CZ-CB 4.33Å; F21-L82 HydrophobicContact CZ-CD2 3.91Å |
| 22 | T | 91.4 | Very high | 78.9 | Confident | 67 Ų | 67 | 91.3 Ų | 91.3 | 41% | 0.411 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 166.5 | 170.2 | 61.6 | 0 | 0 | 0 | 0 | 111.4 | N20 S24 E25 K26 | N20-T22 PolarHBondContact O-N 3.26Å; T22-S24 PolarHBondContact OG1-OG 3.06Å; T22-E25 WeakPolarHBondContact CB-OE2 3.42Å; T22-E25 PolarHBondContact N-OE2 3.5Å; T22-E25 PolarHBondContact O-N 3Å; T22-E25 WeakPolarHBondContact OG1-CB 3.41Å; T22-E25 WeakPolarHBondContact OG1-CG 3.4Å; T22-E25 PolarHBondContact OG1-N 3.3Å; T22-E25 PolarHBondContact OG1-OE2 2.74Å; T22-K26 WeakPolarHBondContact O-CG 3.34Å; T22-K26 PolarHBondContact O-N 3.42Å; T22-K26 VanDerWaalsContact O-N 3.17Å |
| 23 | L | 91.9 | Very high | 81.6 | Confident | 127 Ų | 127 | 82.6 Ų | 82.6 | 67% | 0.665 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 177.9 | -179.8 | 60.4 | 0 | 0 | 0 | 111.9 | E25 K26 L27 | L23-E25 PolarHBondContact O-N 3.18Å; L23-K26 WeakPolarHBondContact O-CB 3.42Å; L23-K26 PolarHBondContact O-N 2.95Å; L23-L27 HydrophobicContact CG-CD1 4.37Å; L23-L27 WeakPolarHBondContact O-CG 3.4Å; L23-L27 PolarHBondContact O-N 3.3Å |
| 24 | S | 92.1 | Very high | 83.7 | Confident | 54 Ų | 54 | 86 Ų | 86 | 38% | 0.378 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 177.1 | 49.4 | 0 | 0 | 0 | 0 | 111.6 | T22 K26 L27 D28 | T22-S24 PolarHBondContact OG1-OG 3.06Å; S24-K26 VanDerWaalsContact C-N 3.29Å; S24-K26 PolarHBondContact O-N 3.43Å; S24-L27 PolarHBondContact O-N 2.88Å; S24-L27 VanDerWaalsContact O-N 3.09Å; S24-D28 PolarHBondContact O-N 3.02Å |
| 25 | E | 93.4 | Very high | 86.2 | Confident | 7 Ų | 7 | 87.9 Ų | 87.9 | 3% | 0.033 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -57.9 | -39.7 | 175.2 | -76.9 | 176.5 | 117.2 | 0 | 0 | 112.9 | F21 T22 L23 L29 Y64 R74 | F21-E25 WeakPolarHBondContact CA-OE2 3.44Å; F21-E25 HydrophobicContact CD1-CB 4.19Å; T22-E25 WeakPolarHBondContact CB-OE2 3.42Å; T22-E25 PolarHBondContact N-OE2 3.5Å; T22-E25 PolarHBondContact O-N 3Å; T22-E25 WeakPolarHBondContact OG1-CB 3.41Å; T22-E25 WeakPolarHBondContact OG1-CG 3.4Å; T22-E25 PolarHBondContact OG1-N 3.3Å; T22-E25 PolarHBondContact OG1-OE2 2.74Å; L23-E25 PolarHBondContact O-N 3.18Å; E25-L29 PolarHBondContact O-N 3.45Å; E25-Y64 WeakPolarHBondContact CB-OH 3.45Å; E25-Y64 WeakPolarHBondContact CG-OH 3.39Å; E25-Y64 PolarHBondContact OE1-OH 2.68Å; E25-Y64 VanDerWaalsContact OE1-OH 3.07Å; E25-R74 IonicContact OE1-NE 2.68Å; E25-R74 IonicContact OE1-NH2 3.24Å; E25-R74 PolarHBondContact OE1-NH2 3.05Å |
| 26 | K | 95.1 | Very high | 88.2 | Confident | 72 Ų | 72 | 80.1 Ų | 80.1 | 31% | 0.313 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 175.6 | -68.1 | 166.7 | -179.8 | 179.2 | 0 | 111.4 | F21 T22 L23 S24 L29 L30 L82 L86 | F21-K26 HydrophobicContact CB-CG 4.28Å; F21-K26 WeakPolarHBondContact O-CE 3.44Å; T22-K26 WeakPolarHBondContact O-CG 3.34Å; T22-K26 PolarHBondContact O-N 3.42Å; T22-K26 VanDerWaalsContact O-N 3.17Å; L23-K26 WeakPolarHBondContact O-CB 3.42Å; L23-K26 PolarHBondContact O-N 2.95Å; S24-K26 VanDerWaalsContact C-N 3.29Å; S24-K26 PolarHBondContact O-N 3.43Å; K26-L29 PolarHBondContact O-N 3.22Å; K26-L30 WeakPolarHBondContact O-CG 3.46Å; K26-L30 PolarHBondContact O-N 2.92Å; K26-L30 VanDerWaalsContact O-N 3.07Å; K26-L82 HydrophobicContact CG-CD1 4.3Å; K26-L82 HydrophobicContact CG-CD2 4.35Å; K26-L86 HydrophobicContact CB-CD1 4.16Å; K26-L86 HydrophobicContact CB-CD2 4.26Å; K26-L86 HydrophobicContact CD-CD2 3.93Å; K26-L86 HydrophobicContact CG-CD1 4.35Å; K26-L86 HydrophobicContact CG-CD2 4.04Å |
| 27 | L | 95.3 | Very high | 90.1 | Very high | 86 Ų | 86 | 78.8 Ų | 78.8 | 45% | 0.45 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 177.9 | -67.3 | 174.5 | 0 | 0 | 0 | 111.8 | L23 S24 L29 L30 K31 | L23-L27 HydrophobicContact CG-CD1 4.37Å; L23-L27 WeakPolarHBondContact O-CG 3.4Å; L23-L27 PolarHBondContact O-N 3.3Å; S24-L27 PolarHBondContact O-N 2.88Å; S24-L27 VanDerWaalsContact O-N 3.09Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 2.99Å; L27-L30 PolarHBondContact O-N 3.49Å; L27-K31 WeakPolarHBondContact O-CG 3.38Å; L27-K31 PolarHBondContact O-N 3.27Å |
| 28 | D | 94.9 | Very high | 91.7 | Very high | 31 Ų | 31 | 75 Ų | 75 | 17% | 0.166 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60 | -46 | 176.3 | -65.5 | -22.6 | 0 | 0 | 0 | 110.3 | S24 L30 K31 L32 R71 | S24-D28 PolarHBondContact O-N 3.02Å; D28-L30 PolarHBondContact O-N 3.26Å; D28-K31 PolarHBondContact O-N 2.86Å; D28-L32 WeakPolarHBondContact O-CG 3.32Å; D28-L32 PolarHBondContact O-N 3.39Å; D28-R71 IonicContact OD2-CZ 3.07Å; D28-R71 IonicContact OD2-NH1 3.09Å; D28-R71 PolarHBondContact OD2-NH1 2.91Å; D28-R71 IonicContact OD2-NH2 4Å; D28-R71 PolarHBondContact OD2-NH2 2.93Å |
| 29 | L | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58 | -46.1 | 174.1 | 176.8 | 62.4 | 0 | 0 | 0 | 112.1 | E25 K26 L27 K31 L32 V33 W57 V60 Y64 L79 L82 L86 | E25-L29 PolarHBondContact O-N 3.45Å; K26-L29 PolarHBondContact O-N 3.22Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 2.99Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 3.29Å; L29-L32 PolarHBondContact O-N 3.2Å; L29-V33 HydrophobicContact CD1-CG2 3.71Å; L29-V33 HydrophobicContact CG-CG2 4.19Å; L29-V33 WeakPolarHBondContact O-CB 3.22Å; L29-V33 VanDerWaalsContact O-CG2 3.3Å; L29-V33 WeakPolarHBondContact O-CG2 3.33Å; L29-V33 PolarHBondContact O-N 2.72Å; L29-W57 HydrophobicContact CD1-CZ3 4.3Å; L29-V60 HydrophobicContact CD1-CG1 3.89Å; L29-Y64 HydrophobicContact CB-CE2 4.43Å; L29-L79 HydrophobicContact CD1-CB 4.03Å; L29-L79 HydrophobicContact CD1-CD1 4.39Å; L29-L79 HydrophobicContact CD1-CD2 4.31Å; L29-L79 HydrophobicContact CD1-CG 4.47Å; L29-L79 HydrophobicContact CD2-CB 4.49Å; L29-L79 HydrophobicContact CD2-CD2 4.47Å; L29-L82 HydrophobicContact CD2-CB 3.98Å; L29-L82 HydrophobicContact CD2-CD2 3.59Å; L29-L82 HydrophobicContact CD2-CG 3.77Å; L29-L86 HydrophobicContact CD2-CD1 4.48Å |
| 30 | L | 96.8 | Very high | 94 | Very high | 77 Ų | 77 | 71.9 Ų | 71.9 | 40% | 0.403 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.8 | -36.4 | 179.8 | -71.3 | 173.1 | 0 | 0 | 0 | 112.2 | K26 L27 D28 R34 Y83 L86 | K26-L30 WeakPolarHBondContact O-CG 3.46Å; K26-L30 PolarHBondContact O-N 2.92Å; K26-L30 VanDerWaalsContact O-N 3.07Å; L27-L30 PolarHBondContact O-N 3.49Å; D28-L30 PolarHBondContact O-N 3.26Å; L30-R34 WeakPolarHBondContact O-CB 3.47Å; L30-R34 PolarHBondContact O-N 3.02Å; L30-R34 VanDerWaalsContact O-N 3.12Å; L30-Y83 HydrophobicContact CD2-CD2 4.23Å; L30-Y83 HydrophobicContact CD2-CE2 4.18Å; L30-L86 HydrophobicContact CD2-CD1 4.21Å; L30-L86 HydrophobicContact CG-CD1 4.2Å |
| 31 | K | 96.5 | Very high | 94.3 | Very high | 144 Ų | 144 | 68.3 Ų | 68.3 | 63% | 0.626 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.5 | -45.2 | 174.8 | -71 | 171.4 | -176.2 | 172.3 | 0 | 111.6 | L27 D28 L29 R34 P35 | L27-K31 WeakPolarHBondContact O-CG 3.38Å; L27-K31 PolarHBondContact O-N 3.27Å; D28-K31 PolarHBondContact O-N 2.86Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 3.29Å; K31-R34 WeakPolarHBondContact O-CB 3.38Å; K31-R34 PolarHBondContact O-N 3.17Å; K31-P35 WeakPolarHBondContact O-CD 3.4Å |
| 32 | L | 96.1 | Very high | 94.4 | Very high | 19 Ų | 19 | 69.6 Ų | 69.6 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.4 | -35.7 | 179.7 | -66.4 | 174.8 | 0 | 0 | 0 | 112.9 | D28 L29 P35 H36 V60 Q63 Y64 L67 | D28-L32 WeakPolarHBondContact O-CG 3.32Å; D28-L32 PolarHBondContact O-N 3.39Å; L29-L32 PolarHBondContact O-N 3.2Å; L32-P35 WeakPolarHBondContact O-CD 3.23Å; L32-P35 WeakPolarHBondContact O-CG 3.45Å; L32-H36 PolarHBondContact O-CD2 2.86Å; L32-V60 HydrophobicContact CB-CG1 4.18Å; L32-Q63 HydrophobicContact CD1-CB 4.25Å; L32-Q63 HydrophobicContact CD2-CB 3.88Å; L32-Y64 HydrophobicContact CD1-CD2 4.2Å; L32-Y64 HydrophobicContact CD1-CG 4.46Å; L32-L67 HydrophobicContact CD1-CD1 4.11Å; L32-L67 HydrophobicContact CD2-CD1 3.95Å; L32-L67 HydrophobicContact CG-CD1 4.3Å |
| 33 | V | 96.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.012 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -74.6 | -30.5 | 179.6 | 167.3 | 0 | 0 | 0 | 0 | 112 | L29 H36 I37 L40 W57 V60 Y83 | L29-V33 HydrophobicContact CD1-CG2 3.71Å; L29-V33 HydrophobicContact CG-CG2 4.19Å; L29-V33 WeakPolarHBondContact O-CB 3.22Å; L29-V33 VanDerWaalsContact O-CG2 3.3Å; L29-V33 WeakPolarHBondContact O-CG2 3.33Å; L29-V33 PolarHBondContact O-N 2.72Å; V33-H36 CarbonylContact O-C 3.56Å; V33-H36 WeakPolarHBondContact O-CA 3.39Å; V33-H36 PolarHBondContact O-N 2.92Å; V33-I37 HydrophobicContact CG1-CG1 4.19Å; V33-I37 PolarHBondContact O-N 2.87Å; V33-L40 HydrophobicContact CG1-CD1 3.85Å; V33-L40 HydrophobicContact CG2-CD1 4.42Å; V33-W57 HydrophobicContact CG2-CH2 3.98Å; V33-W57 HydrophobicContact CG2-CZ3 4.02Å; V33-V60 HydrophobicContact CG2-CG1 4.2Å; V33-Y83 HydrophobicContact CB-CE2 4.41Å; V33-Y83 HydrophobicContact CG1-CD2 4.07Å; V33-Y83 HydrophobicContact CG1-CE1 4.27Å; V33-Y83 HydrophobicContact CG1-CE2 3.57Å; V33-Y83 HydrophobicContact CG2-CD2 4.46Å |
| 34 | R | 95.3 | Very high | 94.3 | Very high | 195 Ų | 195 | 71.2 Ų | 71.2 | 74% | 0.736 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -46.7 | -50.7 | -176 | -171 | 174.3 | -178.9 | 142.7 | -0.7 | 115.3 | L30 K31 H36 I37 | L30-R34 WeakPolarHBondContact O-CB 3.47Å; L30-R34 PolarHBondContact O-N 3.02Å; L30-R34 VanDerWaalsContact O-N 3.12Å; K31-R34 WeakPolarHBondContact O-CB 3.38Å; K31-R34 PolarHBondContact O-N 3.17Å; R34-H36 PolarHBondContact O-N 3.4Å; R34-I37 HydrophobicContact CG-CD1 4.49Å; R34-I37 WeakPolarHBondContact O-CG1 3.4Å |
| 35 | P | 95.7 | Very high | 94.3 | Very high | 95 Ų | 95 | 75.7 Ų | 75.7 | 62% | 0.617 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -66.6 | -18 | 178.5 | 25.9 | -35.8 | 0 | 0 | 0 | 114 | K31 L32 | K31-P35 WeakPolarHBondContact O-CD 3.4Å; L32-P35 WeakPolarHBondContact O-CD 3.23Å; L32-P35 WeakPolarHBondContact O-CG 3.45Å |
| 36 | H | 94.7 | Very high | 94.4 | Very high | 47 Ų | 47 | 82.1 Ų | 82.1 | 22% | 0.218 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -107.4 | 5 | -173.9 | -57 | -61.8 | 0 | 0 | 0 | 114.5 | L32 V33 R34 L38 I39 L40 C56 | L32-H36 PolarHBondContact O-CD2 2.86Å; V33-H36 CarbonylContact O-C 3.56Å; V33-H36 WeakPolarHBondContact O-CA 3.39Å; V33-H36 PolarHBondContact O-N 2.92Å; R34-H36 PolarHBondContact O-N 3.4Å; H36-L38 VanDerWaalsContact C-N 3.26Å; H36-L38 PolarHBondContact O-N 3.42Å; H36-I39 PolarHBondContact O-N 3.38Å; H36-I39 VanDerWaalsContact O-N 3.12Å; H36-L40 HydrophobicContact CB-CD1 3.97Å; H36-L40 HydrophobicContact CB-CG 4.22Å; H36-L40 WeakPolarHBondContact O-CG 3.42Å; H36-L40 PolarHBondContact O-N 3.42Å; H36-C56 WeakPolarHBondContact CB-SG 3.5Å |
| 37 | I | 94.6 | Very high | 94.4 | Very high | 62 Ų | 62 | 85.7 Ų | 85.7 | 32% | 0.318 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -54.2 | -41.3 | -174.6 | -71 | 173.5 | 0 | 0 | 0 | 112.1 | V33 R34 I39 L40 E41 | V33-I37 HydrophobicContact CG1-CG1 4.19Å; V33-I37 PolarHBondContact O-N 2.87Å; R34-I37 HydrophobicContact CG-CD1 4.49Å; R34-I37 WeakPolarHBondContact O-CG1 3.4Å; I37-I39 VanDerWaalsContact C-N 3.27Å; I37-I39 PolarHBondContact O-N 3.32Å; I37-L40 PolarHBondContact O-N 3.15Å; I37-E41 HydrophobicContact CG2-CB 4.43Å; I37-E41 HydrophobicContact CG2-CG 3.9Å; I37-E41 VanDerWaalsContact O-CB 3.3Å; I37-E41 WeakPolarHBondContact O-CB 3.46Å; I37-E41 WeakPolarHBondContact O-CG 3.45Å; I37-E41 PolarHBondContact O-N 2.93Å |
| 38 | L | 94 | Very high | 94.4 | Very high | 155 Ų | 155 | 84.6 Ų | 84.6 | 81% | 0.812 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -59 | -39.4 | -177.6 | -63.2 | 178.8 | 0 | 0 | 0 | 112.5 | H36 E42 | H36-L38 VanDerWaalsContact C-N 3.26Å; H36-L38 PolarHBondContact O-N 3.42Å; L38-E42 PolarHBondContact O-N 3.46Å |
| 39 | I | 93.4 | Very high | 94.4 | Very high | 67 Ų | 67 | 83.7 Ų | 83.7 | 34% | 0.344 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -78.1 | -44.8 | 178.9 | -59.3 | 169.4 | 0 | 0 | 0 | 109.8 | H36 I37 E41 E42 D52 K53 | H36-I39 PolarHBondContact O-N 3.38Å; H36-I39 VanDerWaalsContact O-N 3.12Å; I37-I39 VanDerWaalsContact C-N 3.27Å; I37-I39 PolarHBondContact O-N 3.32Å; I39-E41 PolarHBondContact O-N 2.94Å; I39-E42 PolarHBondContact O-N 3.38Å; I39-D52 HydrophobicContact CG2-CB 4.13Å; I39-K53 HydrophobicContact CG2-CG 4.2Å; I39-K53 WeakPolarHBondContact O-CE 3.08Å; I39-K53 WeakPolarHBondContact O-CG 3.49Å |
| 40 | L | 92.9 | Very high | 94.3 | Very high | 21 Ų | 21 | 86.7 Ų | 86.7 | 11% | 0.11 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -69.4 | -33.9 | -174.4 | -68.9 | -180 | 0 | 0 | 0 | 113.1 | V33 H36 I37 K53 C56 W57 | V33-L40 HydrophobicContact CG1-CD1 3.85Å; V33-L40 HydrophobicContact CG2-CD1 4.42Å; H36-L40 HydrophobicContact CB-CD1 3.97Å; H36-L40 HydrophobicContact CB-CG 4.22Å; H36-L40 WeakPolarHBondContact O-CG 3.42Å; H36-L40 PolarHBondContact O-N 3.42Å; I37-L40 PolarHBondContact O-N 3.15Å; L40-K53 HydrophobicContact CD2-CG 4.49Å; L40-C56 HydrophobicContact CD2-CB 3.96Å; L40-W57 HydrophobicContact CD1-CH2 4.3Å; L40-W57 HydrophobicContact CD1-CZ2 4Å; L40-W57 HydrophobicContact CD2-CD2 4.27Å; L40-W57 HydrophobicContact CD2-CG 4.23Å; L40-W57 HydrophobicContact CD2-CZ2 4.2Å; L40-W57 VanDerWaalsContact CD2-NE1 3.34Å |
| 41 | E | 93.6 | Very high | 94.2 | Very high | 64 Ų | 64 | 86.3 Ų | 86.3 | 30% | 0.299 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 8.4 | 179.6 | -57.3 | -160.4 | 163.7 | 0 | 0 | 113.7 | I37 I39 H43 Y83 K87 | I37-E41 HydrophobicContact CG2-CB 4.43Å; I37-E41 HydrophobicContact CG2-CG 3.9Å; I37-E41 VanDerWaalsContact O-CB 3.3Å; I37-E41 WeakPolarHBondContact O-CB 3.46Å; I37-E41 WeakPolarHBondContact O-CG 3.45Å; I37-E41 PolarHBondContact O-N 2.93Å; I39-E41 PolarHBondContact O-N 2.94Å; E41-H43 PolarHBondContact O-CE1 2.83Å; E41-H43 PolarHBondContact O-N 2.93Å; E41-H43 PolarHBondContact O-ND1 3.43Å; E41-Y83 PolarHBondContact OE1-OH 2.93Å; E41-K87 WeakPolarHBondContact OE1-CE 3.4Å; E41-K87 IonicContact OE1-NZ 3.93Å; E41-K87 PolarHBondContact OE1-NZ 3.26Å; E41-K87 IonicContact OE2-NZ 3.73Å; E41-K87 PolarHBondContact OE2-NZ 3.43Å |
| 42 | E | 92.6 | Very high | 94.2 | Very high | 70 Ų | 70 | 83.4 Ų | 83.4 | 33% | 0.327 | 42% | 0.423 | S | S | . | . | trans | -63 | 129.1 | 174.3 | -166.5 | -179.3 | 158.9 | 0 | 0 | 110.2 | L38 I39 T44 V49 K53 | L38-E42 PolarHBondContact O-N 3.46Å; I39-E42 PolarHBondContact O-N 3.38Å; E42-T44 VanDerWaalsContact C-N 3.32Å; E42-T44 HydrophobicContact CG-CG2 3.89Å; E42-T44 PolarHBondContact O-N 2.98Å; E42-T44 WeakPolarHBondContact OE1-CB 3.41Å; E42-T44 WeakPolarHBondContact OE1-CG2 3.41Å; E42-T44 PolarHBondContact OE1-OG1 3.41Å; E42-V49 HydrophobicContact CB-CG1 4.14Å; E42-V49 HydrophobicContact CG-CG1 4.24Å; E42-V49 WeakPolarHBondContact OE1-CG2 3.18Å; E42-V49 WeakPolarHBondContact OE2-CG1 3.5Å; E42-K53 WeakPolarHBondContact O-CE 3.32Å; E42-K53 PolarHBondContact O-NZ 3.34Å | ||
| 43 | H | 90.4 | Very high | 94.2 | Very high | 177 Ų | 177 | 83.7 Ų | 83.7 | 82% | 0.819 | 42% | 0.424 | S | S | * | . | trans | -97.9 | 41.2 | -178.9 | -65.3 | 83.6 | 0 | 0 | 0 | 112.3 | E41 | E41-H43 PolarHBondContact O-CE1 2.83Å; E41-H43 PolarHBondContact O-N 2.93Å; E41-H43 PolarHBondContact O-ND1 3.43Å | ||
| 44 | T | 91.1 | Very high | 94.2 | Very high | 50 Ų | 50 | 87 Ų | 87 | 31% | 0.307 | 44% | 0.441 | S | S | . | . | trans | -107.6 | 146.1 | 177.1 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | E42 V49 | E42-T44 VanDerWaalsContact C-N 3.32Å; E42-T44 HydrophobicContact CG-CG2 3.89Å; E42-T44 PolarHBondContact O-N 2.98Å; E42-T44 WeakPolarHBondContact OE1-CB 3.41Å; E42-T44 WeakPolarHBondContact OE1-CG2 3.41Å; E42-T44 PolarHBondContact OE1-OG1 3.41Å; T44-V49 WeakPolarHBondContact OG1-CG1 3.36Å; T44-V49 WeakPolarHBondContact OG1-CG2 3.18Å | ||
| 45 | N | 90.7 | Very high | 94.3 | Very high | 149 Ų | 149 | 84.3 Ų | 84.3 | 80% | 0.797 | 44% | 0.435 | S | S | * | . | trans | -106.3 | 46.5 | 177.6 | -166.1 | 0.3 | 0 | 0 | 0 | 110.8 | ||||
| 46 | K | 95.4 | Very high | 94.3 | Very high | 141 Ų | 141 | 80.1 Ų | 80.1 | 61% | 0.613 | 41% | 0.408 | S | S | * | . | trans | -91.8 | 134.4 | 172.1 | -66.1 | -179.6 | -178.6 | 176 | 0 | 108.1 | A48 V49 I50 | K46-A48 PolarHBondContact O-N 2.91Å; K46-V49 HydrophobicContact CB-CB 4.4Å; K46-V49 HydrophobicContact CB-CG2 4.06Å; K46-V49 WeakPolarHBondContact O-CB 3.39Å; K46-V49 PolarHBondContact O-N 2.89Å; K46-I50 PolarHBondContact O-N 3.19Å; K46-I50 VanDerWaalsContact O-N 3.13Å | ||
| 47 | H | 96.3 | Very high | 94.5 | Very high | 147 Ų | 147 | 78.4 Ų | 78.4 | 68% | 0.681 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -54.7 | -41.3 | -179.6 | -177.6 | 65.9 | 0 | 0 | 0 | 112.3 | V49 I50 V51 | H47-V49 VanDerWaalsContact C-N 3.33Å; H47-V49 PolarHBondContact O-N 3.48Å; H47-I50 WeakPolarHBondContact O-CB 3.46Å; H47-I50 PolarHBondContact O-N 2.98Å; H47-I50 VanDerWaalsContact O-N 3.11Å; H47-V51 WeakPolarHBondContact O-CG2 3.46Å; H47-V51 PolarHBondContact O-N 3.33Å |
| 48 | A | 94.8 | Very high | 94.6 | Very high | 63 Ų | 63 | 79.4 Ų | 79.4 | 52% | 0.521 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -54.4 | -45.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K46 I50 V51 D52 | K46-A48 PolarHBondContact O-N 2.91Å; A48-I50 VanDerWaalsContact C-N 3.32Å; A48-I50 PolarHBondContact O-N 3.47Å; A48-V51 PolarHBondContact O-N 3.22Å; A48-D52 PolarHBondContact O-N 2.87Å |
| 49 | V | 94.1 | Very high | 94.7 | Very high | 12 Ų | 12 | 74.5 Ų | 74.5 | 7% | 0.073 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.6 | -34.8 | 178.9 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | E42 T44 K46 H47 K53 | E42-V49 HydrophobicContact CB-CG1 4.14Å; E42-V49 HydrophobicContact CG-CG1 4.24Å; E42-V49 WeakPolarHBondContact OE1-CG2 3.18Å; E42-V49 WeakPolarHBondContact OE2-CG1 3.5Å; T44-V49 WeakPolarHBondContact OG1-CG1 3.36Å; T44-V49 WeakPolarHBondContact OG1-CG2 3.18Å; K46-V49 HydrophobicContact CB-CB 4.4Å; K46-V49 HydrophobicContact CB-CG2 4.06Å; K46-V49 WeakPolarHBondContact O-CB 3.39Å; K46-V49 PolarHBondContact O-N 2.89Å; H47-V49 VanDerWaalsContact C-N 3.33Å; H47-V49 PolarHBondContact O-N 3.48Å; V49-K53 HydrophobicContact CG1-CD 4.21Å; V49-K53 WeakPolarHBondContact O-CB 3.45Å; V49-K53 VanDerWaalsContact O-CG 3.23Å; V49-K53 WeakPolarHBondContact O-CG 3.48Å; V49-K53 PolarHBondContact O-N 2.66Å |
| 50 | I | 94.4 | Very high | 94.9 | Very high | 63 Ų | 63 | 71.3 Ų | 71.3 | 32% | 0.323 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 174.8 | -62.4 | 170.8 | 0 | 0 | 0 | 110.5 | K46 H47 A48 K53 N54 | K46-I50 PolarHBondContact O-N 3.19Å; K46-I50 VanDerWaalsContact O-N 3.13Å; H47-I50 WeakPolarHBondContact O-CB 3.46Å; H47-I50 PolarHBondContact O-N 2.98Å; H47-I50 VanDerWaalsContact O-N 3.11Å; A48-I50 VanDerWaalsContact C-N 3.32Å; A48-I50 PolarHBondContact O-N 3.47Å; I50-K53 PolarHBondContact O-N 3Å; I50-N54 VanDerWaalsContact O-CG 3.3Å; I50-N54 PolarHBondContact O-N 3.28Å; I50-N54 PolarHBondContact O-ND2 3.49Å |
| 51 | V | 95.8 | Very high | 95.1 | Very high | 69 Ų | 69 | 70.8 Ų | 70.8 | 42% | 0.418 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 176.6 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | H47 A48 K53 N54 K55 | H47-V51 WeakPolarHBondContact O-CG2 3.46Å; H47-V51 PolarHBondContact O-N 3.33Å; A48-V51 PolarHBondContact O-N 3.22Å; V51-K53 VanDerWaalsContact C-N 3.34Å; V51-K53 PolarHBondContact O-N 3.04Å; V51-N54 PolarHBondContact O-N 3.49Å; V51-N54 VanDerWaalsContact O-N 3.16Å; V51-K55 PolarHBondContact O-N 3.28Å |
| 52 | D | 95.4 | Very high | 95.1 | Very high | 83 Ų | 83 | 72.6 Ų | 72.6 | 44% | 0.444 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 178.5 | -71.6 | -21.5 | 0 | 0 | 0 | 112.2 | I39 A48 K55 C56 | I39-D52 HydrophobicContact CG2-CB 4.13Å; A48-D52 PolarHBondContact O-N 2.87Å; D52-K55 PolarHBondContact O-N 3.04Å; D52-C56 VanDerWaalsContact O-CB 3.28Å; D52-C56 WeakPolarHBondContact O-CB 3.12Å; D52-C56 PolarHBondContact O-N 3.39Å |
| 53 | K | 96.3 | Very high | 95.3 | Very high | 25 Ų | 25 | 73.1 Ų | 73.1 | 11% | 0.109 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 172.7 | -78 | 171.8 | 177.9 | 169.2 | 0 | 112.6 | I39 L40 E42 V49 I50 V51 C56 W57 | I39-K53 HydrophobicContact CG2-CG 4.2Å; I39-K53 WeakPolarHBondContact O-CE 3.08Å; I39-K53 WeakPolarHBondContact O-CG 3.49Å; L40-K53 HydrophobicContact CD2-CG 4.49Å; E42-K53 WeakPolarHBondContact O-CE 3.32Å; E42-K53 PolarHBondContact O-NZ 3.34Å; V49-K53 HydrophobicContact CG1-CD 4.21Å; V49-K53 WeakPolarHBondContact O-CB 3.45Å; V49-K53 VanDerWaalsContact O-CG 3.23Å; V49-K53 WeakPolarHBondContact O-CG 3.48Å; V49-K53 PolarHBondContact O-N 2.66Å; I50-K53 PolarHBondContact O-N 3Å; V51-K53 VanDerWaalsContact C-N 3.34Å; V51-K53 PolarHBondContact O-N 3.04Å; K53-C56 PolarHBondContact O-N 2.88Å; K53-W57 PolarHBondContact O-N 2.97Å |
| 54 | N | 96.3 | Very high | 95.5 | Very high | 71 Ų | 71 | 64.8 Ų | 64.8 | 38% | 0.38 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.8 | -47.8 | 179.5 | -70.8 | -16.3 | 0 | 0 | 0 | 110.5 | I50 V51 C56 W57 D58 R80 | I50-N54 VanDerWaalsContact O-CG 3.3Å; I50-N54 PolarHBondContact O-N 3.28Å; I50-N54 PolarHBondContact O-ND2 3.49Å; V51-N54 PolarHBondContact O-N 3.49Å; V51-N54 VanDerWaalsContact O-N 3.16Å; N54-C56 VanDerWaalsContact C-N 3.25Å; N54-C56 PolarHBondContact O-N 3.13Å; N54-W57 PolarHBondContact O-N 2.95Å; N54-D58 VanDerWaalsContact O-CG 3.26Å; N54-D58 PolarHBondContact O-N 3.2Å; N54-R80 PolarHBondContact OD1-NH1 3.3Å |
| 55 | K | 96.8 | Very high | 95.6 | Very high | 139 Ų | 139 | 65 Ų | 65 | 60% | 0.604 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -56.7 | -39.9 | 175.2 | -175.9 | 179 | 180 | -177.9 | 0 | 112.5 | V51 D52 D58 T59 | V51-K55 PolarHBondContact O-N 3.28Å; D52-K55 PolarHBondContact O-N 3.04Å; K55-D58 PolarHBondContact O-N 3.45Å; K55-T59 PolarHBondContact O-N 3.05Å; K55-T59 PolarHBondContact O-OG1 3.36Å |
| 56 | C | 96.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 63.8 Ų | 63.8 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 175.1 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | H36 L40 D52 K53 N54 D58 T59 V60 | H36-C56 WeakPolarHBondContact CB-SG 3.5Å; L40-C56 HydrophobicContact CD2-CB 3.96Å; D52-C56 VanDerWaalsContact O-CB 3.28Å; D52-C56 WeakPolarHBondContact O-CB 3.12Å; D52-C56 PolarHBondContact O-N 3.39Å; K53-C56 PolarHBondContact O-N 2.88Å; N54-C56 VanDerWaalsContact C-N 3.25Å; N54-C56 PolarHBondContact O-N 3.13Å; C56-D58 VanDerWaalsContact C-N 3.3Å; C56-D58 PolarHBondContact O-N 3.49Å; C56-T59 PolarHBondContact O-N 3.33Å; C56-V60 WeakPolarHBondContact O-CG2 2.85Å; C56-V60 PolarHBondContact O-N 2.93Å |
| 57 | W | 97.7 | Very high | 95.4 | Very high | 12 Ų | 12 | 62.1 Ų | 62.1 | 5% | 0.045 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 176.4 | -81.2 | 115.6 | 0 | 0 | 0 | 113.1 | L29 V33 L40 K53 N54 V60 S61 A76 L79 R80 Y83 | L29-W57 HydrophobicContact CD1-CZ3 4.3Å; V33-W57 HydrophobicContact CG2-CH2 3.98Å; V33-W57 HydrophobicContact CG2-CZ3 4.02Å; L40-W57 HydrophobicContact CD1-CH2 4.3Å; L40-W57 HydrophobicContact CD1-CZ2 4Å; L40-W57 HydrophobicContact CD2-CD2 4.27Å; L40-W57 HydrophobicContact CD2-CG 4.23Å; L40-W57 HydrophobicContact CD2-CZ2 4.2Å; L40-W57 VanDerWaalsContact CD2-NE1 3.34Å; K53-W57 PolarHBondContact O-N 2.97Å; N54-W57 PolarHBondContact O-N 2.95Å; W57-V60 HydrophobicContact CE3-CB 4.49Å; W57-V60 HydrophobicContact CE3-CG1 4.34Å; W57-V60 HydrophobicContact CZ3-CG1 4.29Å; W57-V60 PolarHBondContact O-N 3.27Å; W57-S61 WeakPolarHBondContact O-CB 3.46Å; W57-S61 PolarHBondContact O-N 3.48Å; W57-S61 PolarHBondContact O-OG 2.8Å; W57-A76 HydrophobicContact CB-CB 4.08Å; W57-L79 HydrophobicContact CE3-CB 4.4Å; W57-L79 HydrophobicContact CZ3-CB 4.19Å; W57-R80 HydrophobicContact CD2-CB 3.9Å; W57-R80 HydrophobicContact CD2-CG 4.29Å; W57-R80 HydrophobicContact CE3-CB 4.18Å; W57-R80 HydrophobicContact CG-CB 4.44Å; W57-R80 HydrophobicContact CH2-CB 4.37Å; W57-R80 HydrophobicContact CZ2-CB 4.05Å; W57-R80 HydrophobicContact CZ2-CG 3.96Å; W57-R80 HydrophobicContact CZ3-CB 4.4Å; W57-Y83 AromaticContact CH2-CD1 3.8Å; W57-Y83 HydrophobicContact CH2-CD1 3.8Å; W57-Y83 AromaticContact CH2-CG 3.83Å; W57-Y83 HydrophobicContact CH2-CG 3.83Å; W57-Y83 AromaticContact CZ2-CD1 3.87Å; W57-Y83 HydrophobicContact CZ2-CD1 3.87Å; W57-Y83 HydrophobicContact CZ2-CG 4.37Å |
| 58 | D | 97.3 | Very high | 94.6 | Very high | 83 Ų | 83 | 55.4 Ų | 55.4 | 44% | 0.444 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.5 | -49.9 | 174.2 | -63.5 | -31.8 | 0 | 0 | 0 | 110.1 | N54 K55 C56 V60 S61 D62 | N54-D58 VanDerWaalsContact O-CG 3.26Å; N54-D58 PolarHBondContact O-N 3.2Å; K55-D58 PolarHBondContact O-N 3.45Å; C56-D58 VanDerWaalsContact C-N 3.3Å; C56-D58 PolarHBondContact O-N 3.49Å; D58-V60 PolarHBondContact O-N 2.86Å; D58-S61 PolarHBondContact O-N 3.41Å; D58-S61 PolarHBondContact O-OG 2.9Å; D58-D62 PolarHBondContact O-N 3.29Å |
| 59 | T | 96.8 | Very high | 93.9 | Very high | 52 Ų | 52 | 55.7 Ų | 55.7 | 32% | 0.319 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.1 | -44.8 | 176.7 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | K55 C56 S61 D62 Q63 | K55-T59 PolarHBondContact O-N 3.05Å; K55-T59 PolarHBondContact O-OG1 3.36Å; C56-T59 PolarHBondContact O-N 3.33Å; T59-S61 VanDerWaalsContact C-N 3.3Å; T59-S61 PolarHBondContact O-N 3.42Å; T59-D62 PolarHBondContact O-N 2.82Å; T59-Q63 WeakPolarHBondContact O-CG 3.45Å; T59-Q63 PolarHBondContact O-N 3.42Å |
| 60 | V | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 176.3 | 167.7 | 0 | 0 | 0 | 0 | 110.7 | L29 L32 V33 C56 W57 D58 Y64 L79 | L29-V60 HydrophobicContact CD1-CG1 3.89Å; L32-V60 HydrophobicContact CB-CG1 4.18Å; V33-V60 HydrophobicContact CG2-CG1 4.2Å; C56-V60 WeakPolarHBondContact O-CG2 2.85Å; C56-V60 PolarHBondContact O-N 2.93Å; W57-V60 HydrophobicContact CE3-CB 4.49Å; W57-V60 HydrophobicContact CE3-CG1 4.34Å; W57-V60 HydrophobicContact CZ3-CG1 4.29Å; W57-V60 PolarHBondContact O-N 3.27Å; D58-V60 PolarHBondContact O-N 2.86Å; V60-Y64 WeakPolarHBondContact O-CB 3.49Å; V60-Y64 PolarHBondContact O-N 3.27Å; V60-L79 HydrophobicContact CG1-CD1 4.39Å |
| 61 | S | 96.4 | Very high | 92.9 | Very high | 10 Ų | 10 | 64.3 Ų | 64.3 | 7% | 0.07 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 178.9 | 77 | 0 | 0 | 0 | 0 | 112.7 | W57 D58 T59 Y64 N65 | W57-S61 WeakPolarHBondContact O-CB 3.46Å; W57-S61 PolarHBondContact O-N 3.48Å; W57-S61 PolarHBondContact O-OG 2.8Å; D58-S61 PolarHBondContact O-N 3.41Å; D58-S61 PolarHBondContact O-OG 2.9Å; T59-S61 VanDerWaalsContact C-N 3.3Å; T59-S61 PolarHBondContact O-N 3.42Å; S61-Y64 PolarHBondContact O-N 2.94Å; S61-N65 WeakPolarHBondContact O-CB 3.33Å; S61-N65 PolarHBondContact O-N 3.43Å; S61-N65 PolarHBondContact O-ND2 3.09Å |
| 62 | D | 95.6 | Very high | 92.5 | Very high | 102 Ų | 102 | 64.3 Ų | 64.3 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.5 | -49.5 | 175.4 | -67.7 | -22.5 | 0 | 0 | 0 | 110.4 | D58 T59 Y64 N65 V66 | D58-D62 PolarHBondContact O-N 3.29Å; T59-D62 PolarHBondContact O-N 2.82Å; D62-Y64 VanDerWaalsContact C-N 3.34Å; D62-Y64 PolarHBondContact O-N 3.13Å; D62-N65 PolarHBondContact O-N 3.02Å; D62-V66 VanDerWaalsContact O-CG2 3.3Å; D62-V66 WeakPolarHBondContact O-CG2 3.42Å; D62-V66 PolarHBondContact O-N 3.25Å |
| 63 | Q | 95.4 | Very high | 92.1 | Very high | 80 Ų | 80 | 65.7 Ų | 65.7 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 177.8 | -69.5 | 177.6 | 13.4 | 0 | 0 | 112.2 | L32 T59 N65 V66 L67 | L32-Q63 HydrophobicContact CD1-CB 4.25Å; L32-Q63 HydrophobicContact CD2-CB 3.88Å; T59-Q63 WeakPolarHBondContact O-CG 3.45Å; T59-Q63 PolarHBondContact O-N 3.42Å; Q63-N65 VanDerWaalsContact C-N 3.34Å; Q63-N65 PolarHBondContact O-N 3.49Å; Q63-V66 PolarHBondContact O-N 3.47Å; Q63-L67 VanDerWaalsContact O-CG 3.32Å; Q63-L67 WeakPolarHBondContact O-CG 3.33Å; Q63-L67 PolarHBondContact O-N 3.34Å |
| 64 | Y | 95.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 1% | 0.012 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 177.3 | -179.3 | -82.7 | 0 | 0 | 0 | 111.8 | E25 L29 L32 V60 S61 D62 L67 G68 R74 L79 | E25-Y64 WeakPolarHBondContact CB-OH 3.45Å; E25-Y64 WeakPolarHBondContact CG-OH 3.39Å; E25-Y64 PolarHBondContact OE1-OH 2.68Å; E25-Y64 VanDerWaalsContact OE1-OH 3.07Å; L29-Y64 HydrophobicContact CB-CE2 4.43Å; L32-Y64 HydrophobicContact CD1-CD2 4.2Å; L32-Y64 HydrophobicContact CD1-CG 4.46Å; V60-Y64 WeakPolarHBondContact O-CB 3.49Å; V60-Y64 PolarHBondContact O-N 3.27Å; S61-Y64 PolarHBondContact O-N 2.94Å; D62-Y64 VanDerWaalsContact C-N 3.34Å; D62-Y64 PolarHBondContact O-N 3.13Å; Y64-L67 PolarHBondContact O-N 3.42Å; Y64-G68 PolarHBondContact O-N 3.05Å; Y64-G68 VanDerWaalsContact O-N 3.1Å; Y64-R74 HydrophobicContact CD1-CB 4.07Å; Y64-R74 HydrophobicContact CD1-CG 4.03Å; Y64-R74 HydrophobicContact CE1-CB 3.94Å; Y64-R74 HydrophobicContact CE1-CG 3.39Å; Y64-L79 HydrophobicContact CD1-CD1 4.19Å; Y64-L79 HydrophobicContact CD1-CD2 4.17Å; Y64-L79 HydrophobicContact CD2-CD1 4.32Å; Y64-L79 HydrophobicContact CD2-CD2 4.08Å; Y64-L79 HydrophobicContact CE1-CD2 4.2Å; Y64-L79 HydrophobicContact CE2-CD2 4.05Å; Y64-L79 HydrophobicContact CG-CD1 3.83Å; Y64-L79 HydrophobicContact CG-CD2 4.13Å |
| 65 | N | 93.5 | Very high | 91.9 | Very high | 54 Ų | 54 | 66.3 Ų | 66.3 | 29% | 0.289 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.2 | -33.6 | -178.7 | -69 | -31.5 | 0 | 0 | 0 | 111.9 | S61 D62 Q63 G68 R74 | S61-N65 WeakPolarHBondContact O-CB 3.33Å; S61-N65 PolarHBondContact O-N 3.43Å; S61-N65 PolarHBondContact O-ND2 3.09Å; D62-N65 PolarHBondContact O-N 3.02Å; Q63-N65 VanDerWaalsContact C-N 3.34Å; Q63-N65 PolarHBondContact O-N 3.49Å; N65-G68 PolarHBondContact O-N 3.07Å; N65-R74 PolarHBondContact ND2-O 3.18Å; N65-R74 PolarHBondContact OD1-N 3.41Å; N65-R74 PolarHBondContact OD1-O 3.42Å |
| 66 | V | 92.9 | Very high | 91.8 | Very high | 124 Ų | 124 | 60.5 Ų | 60.5 | 75% | 0.752 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.5 | -39.3 | 172.9 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | D62 Q63 G68 | D62-V66 VanDerWaalsContact O-CG2 3.3Å; D62-V66 WeakPolarHBondContact O-CG2 3.42Å; D62-V66 PolarHBondContact O-N 3.25Å; Q63-V66 PolarHBondContact O-N 3.47Å; V66-G68 PolarHBondContact O-N 3.39Å |
| 67 | L | 89.1 | Confident | 91.8 | Very high | 106 Ų | 106 | 66.1 Ų | 66.1 | 56% | 0.555 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -71.1 | -20.7 | 175.3 | -69.8 | 173.2 | 0 | 0 | 0 | 113.2 | L32 Q63 Y64 G69 | L32-L67 HydrophobicContact CD1-CD1 4.11Å; L32-L67 HydrophobicContact CD2-CD1 3.95Å; L32-L67 HydrophobicContact CG-CD1 4.3Å; Q63-L67 VanDerWaalsContact O-CG 3.32Å; Q63-L67 WeakPolarHBondContact O-CG 3.33Å; Q63-L67 PolarHBondContact O-N 3.34Å; Y64-L67 PolarHBondContact O-N 3.42Å; L67-G69 PolarHBondContact O-N 2.92Å |
| 68 | G | 78.1 | Confident | 91.6 | Very high | 6 Ų | 6 | 66.7 Ų | 66.7 | 6% | 0.062 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -15.5 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y64 N65 V66 D70 R71 | Y64-G68 PolarHBondContact O-N 3.05Å; Y64-G68 VanDerWaalsContact O-N 3.1Å; N65-G68 PolarHBondContact O-N 3.07Å; V66-G68 PolarHBondContact O-N 3.39Å; G68-D70 PolarHBondContact O-N 3.2Å; G68-D70 VanDerWaalsContact O-N 3.08Å; G68-R71 VanDerWaalsContact O-CB 3.24Å; G68-R71 WeakPolarHBondContact O-CB 3.41Å; G68-R71 WeakPolarHBondContact O-CD 3.38Å; G68-R71 WeakPolarHBondContact O-CG 3.35Å; G68-R71 PolarHBondContact O-N 3.39Å |
| 69 | G | 81.4 | Confident | 91.6 | Very high | 68 Ų | 68 | 62.8 Ų | 62.8 | 70% | 0.701 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | -115.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L67 R71 | L67-G69 PolarHBondContact O-N 2.92Å; G69-R71 VanDerWaalsContact C-N 3.27Å; G69-R71 PolarHBondContact O-N 3.49Å |
| 70 | D | 80.7 | Confident | 91.6 | Very high | 177 Ų | 177 | 64.8 Ų | 64.8 | 95% | 0.947 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 2.1 | -179.4 | -61.3 | -34.6 | 0 | 0 | 0 | 114.8 | G68 | G68-D70 PolarHBondContact O-N 3.2Å; G68-D70 VanDerWaalsContact O-N 3.08Å |
| 71 | R | 86.6 | Confident | 91.6 | Very high | 80 Ų | 80 | 67.3 Ų | 67.3 | 30% | 0.302 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -70.2 | 144.6 | 179.7 | -64.4 | 170.8 | -160.9 | -179.7 | 4.6 | 110.4 | D28 G68 G69 | D28-R71 IonicContact OD2-CZ 3.07Å; D28-R71 IonicContact OD2-NH1 3.09Å; D28-R71 PolarHBondContact OD2-NH1 2.91Å; D28-R71 IonicContact OD2-NH2 4Å; D28-R71 PolarHBondContact OD2-NH2 2.93Å; G68-R71 VanDerWaalsContact O-CB 3.24Å; G68-R71 WeakPolarHBondContact O-CB 3.41Å; G68-R71 WeakPolarHBondContact O-CD 3.38Å; G68-R71 WeakPolarHBondContact O-CG 3.35Å; G68-R71 PolarHBondContact O-N 3.39Å; G69-R71 VanDerWaalsContact C-N 3.27Å; G69-R71 PolarHBondContact O-N 3.49Å |
| 72 | P | 86.1 | Confident | 91.5 | Very high | 68 Ų | 68 | 67.3 Ų | 67.3 | 44% | 0.442 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 137.3 | 172.8 | -23.3 | 32.7 | 0 | 0 | 0 | 111.4 | R74 | P72-R74 PolarHBondContact O-N 3.26Š|
| 73 | P | 88.9 | Confident | 91.6 | Very high | 113 Ų | 113 | 63.5 Ų | 63.5 | 73% | 0.734 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 139.3 | -179 | 25.4 | -34 | 0 | 0 | 0 | 110.7 | ||
| 74 | R | 92.1 | Very high | 91.6 | Very high | 14 Ų | 14 | 67.4 Ų | 67.4 | 5% | 0.053 | 38% | 0.378 | C | S | . | . | trans | -110.3 | 139.5 | 179.9 | -56.7 | -59.7 | -174.9 | 159.5 | 5.8 | 110.1 | S19 F21 E25 Y64 N65 P72 L79 | S19-R74 VanDerWaalsContact O-CZ 3.31Å; S19-R74 PolarHBondContact O-NH1 3.27Å; S19-R74 PolarHBondContact O-NH2 2.94Å; F21-R74 HydrophobicContact CE1-CG 3.93Å; F21-R74 HydrophobicContact CZ-CG 4.34Å; E25-R74 IonicContact OE1-NE 2.68Å; E25-R74 IonicContact OE1-NH2 3.24Å; E25-R74 PolarHBondContact OE1-NH2 3.05Å; Y64-R74 HydrophobicContact CD1-CB 4.07Å; Y64-R74 HydrophobicContact CD1-CG 4.03Å; Y64-R74 HydrophobicContact CE1-CB 3.94Å; Y64-R74 HydrophobicContact CE1-CG 3.39Å; N65-R74 PolarHBondContact ND2-O 3.18Å; N65-R74 PolarHBondContact OD1-N 3.41Å; N65-R74 PolarHBondContact OD1-O 3.42Å; P72-R74 PolarHBondContact O-N 3.26Å; R74-L79 HydrophobicContact CB-CD1 4.46Å; R74-L79 HydrophobicContact CB-CD2 3.85Å; R74-L79 HydrophobicContact CB-CG 4.04Å; R74-L79 HydrophobicContact CG-CD2 4.28Å | ||
| 75 | T | 94.7 | Very high | 91.7 | Very high | 94 Ų | 94 | 75.6 Ų | 75.6 | 58% | 0.577 | 41% | 0.409 | S | S | * | . | trans | -82.8 | 151.1 | 175.2 | 61.5 | 0 | 0 | 0 | 0 | 110.6 | Q77 G78 L79 | T75-Q77 PolarHBondContact O-N 2.71Å; T75-G78 WeakPolarHBondContact O-CA 3.43Å; T75-G78 PolarHBondContact O-N 2.96Å; T75-G78 PolarHBondContact OG1-N 3.17Å; T75-L79 PolarHBondContact O-N 3.42Å | ||
| 76 | A | 95.9 | Very high | 91.8 | Very high | 17 Ų | 17 | 74.7 Ų | 74.7 | 14% | 0.14 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -46.9 | -44.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W57 G78 L79 R80 | W57-A76 HydrophobicContact CB-CB 4.08Å; A76-G78 PolarHBondContact O-N 3.05Å; A76-L79 PolarHBondContact O-N 3.49Å; A76-R80 WeakPolarHBondContact O-CB 3.43Å; A76-R80 PolarHBondContact O-N 3.23Å |
| 77 | Q | 96 | Very high | 91.9 | Very high | 125 Ų | 125 | 73 Ų | 73 | 58% | 0.584 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65 | -37.3 | 177.4 | -174.4 | 63.3 | 3.1 | 0 | 0 | 113.3 | T75 T81 | T75-Q77 PolarHBondContact O-N 2.71Å; Q77-T81 WeakPolarHBondContact O-CB 3.41Å; Q77-T81 PolarHBondContact O-N 3.3Å; Q77-T81 PolarHBondContact O-OG1 3.41Å |
| 78 | G | 94.6 | Very high | 92.3 | Very high | 25 Ų | 25 | 72.1 Ų | 72.1 | 26% | 0.258 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T75 A76 T81 L82 | T75-G78 WeakPolarHBondContact O-CA 3.43Å; T75-G78 PolarHBondContact O-N 2.96Å; T75-G78 PolarHBondContact OG1-N 3.17Å; A76-G78 PolarHBondContact O-N 3.05Å; G78-T81 PolarHBondContact O-N 2.89Å; G78-L82 PolarHBondContact O-N 3.47Å |
| 79 | L | 96 | Very high | 93 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 176.9 | -62.9 | -179.2 | 0 | 0 | 0 | 112.2 | F21 L29 W57 V60 Y64 R74 T75 A76 T81 L82 Y83 | F21-L79 HydrophobicContact CE1-CD2 3.97Å; F21-L79 HydrophobicContact CZ-CD2 4.26Å; L29-L79 HydrophobicContact CD1-CB 4.03Å; L29-L79 HydrophobicContact CD1-CD1 4.39Å; L29-L79 HydrophobicContact CD1-CD2 4.31Å; L29-L79 HydrophobicContact CD1-CG 4.47Å; L29-L79 HydrophobicContact CD2-CB 4.49Å; L29-L79 HydrophobicContact CD2-CD2 4.47Å; W57-L79 HydrophobicContact CE3-CB 4.4Å; W57-L79 HydrophobicContact CZ3-CB 4.19Å; V60-L79 HydrophobicContact CG1-CD1 4.39Å; Y64-L79 HydrophobicContact CD1-CD1 4.19Å; Y64-L79 HydrophobicContact CD1-CD2 4.17Å; Y64-L79 HydrophobicContact CD2-CD1 4.32Å; Y64-L79 HydrophobicContact CD2-CD2 4.08Å; Y64-L79 HydrophobicContact CE1-CD2 4.2Å; Y64-L79 HydrophobicContact CE2-CD2 4.05Å; Y64-L79 HydrophobicContact CG-CD1 3.83Å; Y64-L79 HydrophobicContact CG-CD2 4.13Å; R74-L79 HydrophobicContact CB-CD1 4.46Å; R74-L79 HydrophobicContact CB-CD2 3.85Å; R74-L79 HydrophobicContact CB-CG 4.04Å; R74-L79 HydrophobicContact CG-CD2 4.28Å; T75-L79 PolarHBondContact O-N 3.42Å; A76-L79 PolarHBondContact O-N 3.49Å; L79-T81 VanDerWaalsContact C-N 3.31Å; L79-T81 PolarHBondContact O-N 2.98Å; L79-L82 WeakPolarHBondContact O-CB 3.49Å; L79-L82 PolarHBondContact O-N 2.94Å; L79-Y83 WeakPolarHBondContact O-CB 3.33Å; L79-Y83 PolarHBondContact O-N 3Å |
| 80 | R | 96.9 | Very high | 93.6 | Very high | 94 Ų | 94 | 74 Ų | 74 | 36% | 0.355 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58 | -44.1 | 172.3 | -175.9 | 174.7 | -174 | 152.1 | 0.6 | 112 | N54 W57 A76 Y83 K84 | N54-R80 PolarHBondContact OD1-NH1 3.3Å; W57-R80 HydrophobicContact CD2-CB 3.9Å; W57-R80 HydrophobicContact CD2-CG 4.29Å; W57-R80 HydrophobicContact CE3-CB 4.18Å; W57-R80 HydrophobicContact CG-CB 4.44Å; W57-R80 HydrophobicContact CH2-CB 4.37Å; W57-R80 HydrophobicContact CZ2-CB 4.05Å; W57-R80 HydrophobicContact CZ2-CG 3.96Å; W57-R80 HydrophobicContact CZ3-CB 4.4Å; A76-R80 WeakPolarHBondContact O-CB 3.43Å; A76-R80 PolarHBondContact O-N 3.23Å; R80-Y83 PolarHBondContact O-N 2.87Å; R80-K84 PolarHBondContact O-N 3.02Å |
| 81 | T | 96.3 | Very high | 94.2 | Very high | 53 Ų | 53 | 72.3 Ų | 72.3 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 176.8 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | Q77 G78 L79 K84 R85 | Q77-T81 WeakPolarHBondContact O-CB 3.41Å; Q77-T81 PolarHBondContact O-N 3.3Å; Q77-T81 PolarHBondContact O-OG1 3.41Å; G78-T81 PolarHBondContact O-N 2.89Å; L79-T81 VanDerWaalsContact C-N 3.31Å; L79-T81 PolarHBondContact O-N 2.98Å; T81-K84 PolarHBondContact O-N 2.92Å; T81-R85 WeakPolarHBondContact O-CG 3.46Å; T81-R85 PolarHBondContact O-N 3.2Å; T81-R85 VanDerWaalsContact O-N 3.08Å |
| 82 | L | 95.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 72.4 Ų | 72.4 | 6% | 0.058 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 175.6 | 177.9 | 60.8 | 0 | 0 | 0 | 111.2 | F21 K26 L29 G78 L79 K84 R85 L86 | F21-L82 HydrophobicContact CB-CD1 4.22Å; F21-L82 HydrophobicContact CB-CD2 3.98Å; F21-L82 HydrophobicContact CD1-CD2 3.44Å; F21-L82 VanDerWaalsContact CD1-CD2 3.44Å; F21-L82 HydrophobicContact CD2-CB 4.4Å; F21-L82 HydrophobicContact CD2-CD1 3.84Å; F21-L82 HydrophobicContact CD2-CD2 3.73Å; F21-L82 HydrophobicContact CD2-CG 4.21Å; F21-L82 HydrophobicContact CE1-CD2 3.66Å; F21-L82 HydrophobicContact CE2-CB 4.1Å; F21-L82 HydrophobicContact CE2-CD1 4.38Å; F21-L82 HydrophobicContact CE2-CD2 3.95Å; F21-L82 HydrophobicContact CE2-CG 4.38Å; F21-L82 HydrophobicContact CG-CD1 4.1Å; F21-L82 HydrophobicContact CG-CD2 3.45Å; F21-L82 VanDerWaalsContact CG-CD2 3.45Å; F21-L82 HydrophobicContact CG-CG 4.35Å; F21-L82 HydrophobicContact CZ-CB 4.33Å; F21-L82 HydrophobicContact CZ-CD2 3.91Å; K26-L82 HydrophobicContact CG-CD1 4.3Å; K26-L82 HydrophobicContact CG-CD2 4.35Å; L29-L82 HydrophobicContact CD2-CB 3.98Å; L29-L82 HydrophobicContact CD2-CD2 3.59Å; L29-L82 HydrophobicContact CD2-CG 3.77Å; G78-L82 PolarHBondContact O-N 3.47Å; L79-L82 WeakPolarHBondContact O-CB 3.49Å; L79-L82 PolarHBondContact O-N 2.94Å; L82-K84 PolarHBondContact O-N 3.13Å; L82-R85 CarbonylContact O-C 3.59Å; L82-R85 WeakPolarHBondContact O-CB 3.43Å; L82-R85 PolarHBondContact O-N 3.21Å; L82-R85 VanDerWaalsContact O-N 3.09Å; L82-L86 HydrophobicContact CD1-CD1 4.42Å; L82-L86 HydrophobicContact CD1-CG 4.23Å; L82-L86 HydrophobicContact CG-CD1 4.09Å; L82-L86 HydrophobicContact CG-CG 4.34Å; L82-L86 WeakPolarHBondContact O-CG 3.34Å; L82-L86 PolarHBondContact O-N 3.16Å |
| 83 | Y | 97.1 | Very high | 94.7 | Very high | 22 Ų | 22 | 73.3 Ų | 73.3 | 9% | 0.086 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 179.3 | 179.4 | -114.4 | 0 | 0 | 0 | 112.4 | L30 V33 E41 W57 L79 R80 R85 L86 K87 | L30-Y83 HydrophobicContact CD2-CD2 4.23Å; L30-Y83 HydrophobicContact CD2-CE2 4.18Å; V33-Y83 HydrophobicContact CB-CE2 4.41Å; V33-Y83 HydrophobicContact CG1-CD2 4.07Å; V33-Y83 HydrophobicContact CG1-CE1 4.27Å; V33-Y83 HydrophobicContact CG1-CE2 3.57Å; V33-Y83 HydrophobicContact CG2-CD2 4.46Å; E41-Y83 PolarHBondContact OE1-OH 2.93Å; W57-Y83 AromaticContact CH2-CD1 3.8Å; W57-Y83 HydrophobicContact CH2-CD1 3.8Å; W57-Y83 AromaticContact CH2-CG 3.83Å; W57-Y83 HydrophobicContact CH2-CG 3.83Å; W57-Y83 AromaticContact CZ2-CD1 3.87Å; W57-Y83 HydrophobicContact CZ2-CD1 3.87Å; W57-Y83 HydrophobicContact CZ2-CG 4.37Å; L79-Y83 WeakPolarHBondContact O-CB 3.33Å; L79-Y83 PolarHBondContact O-N 3Å; R80-Y83 PolarHBondContact O-N 2.87Å; Y83-R85 VanDerWaalsContact C-N 3.3Å; Y83-R85 PolarHBondContact O-N 3.05Å; Y83-L86 PolarHBondContact O-N 3.3Å; Y83-L86 VanDerWaalsContact O-N 3.15Å; Y83-K87 HydrophobicContact CD1-CD 4.23Å; Y83-K87 HydrophobicContact CE1-CD 3.61Å; Y83-K87 HydrophobicContact CE1-CG 4.28Å; Y83-K87 HydrophobicContact CE2-CD 4.37Å; Y83-K87 HydrophobicContact CE2-CG 4.26Å; Y83-K87 PolarHBondContact O-N 3.1Å |
| 84 | K | 96.4 | Very high | 94.7 | Very high | 162 Ų | 162 | 71.8 Ų | 71.8 | 70% | 0.704 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57.7 | -42.8 | 174.5 | -175.9 | -179.8 | 174.1 | -177.9 | 0 | 111.8 | R80 T81 L82 K87 E88 | R80-K84 PolarHBondContact O-N 3.02Å; T81-K84 PolarHBondContact O-N 2.92Å; L82-K84 PolarHBondContact O-N 3.13Å; K84-K87 PolarHBondContact O-N 2.94Å; K84-E88 PolarHBondContact O-N 3.02Å |
| 85 | R | 96.3 | Very high | 94.4 | Very high | 175 Ų | 175 | 76 Ų | 76 | 66% | 0.66 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.1 | -38.9 | 176.4 | -70.8 | 175.6 | -174.7 | 177.7 | 2.8 | 112.2 | T81 L82 Y83 E88 S89 | T81-R85 WeakPolarHBondContact O-CG 3.46Å; T81-R85 PolarHBondContact O-N 3.2Å; T81-R85 VanDerWaalsContact O-N 3.08Å; L82-R85 CarbonylContact O-C 3.59Å; L82-R85 WeakPolarHBondContact O-CB 3.43Å; L82-R85 PolarHBondContact O-N 3.21Å; L82-R85 VanDerWaalsContact O-N 3.09Å; Y83-R85 VanDerWaalsContact C-N 3.3Å; Y83-R85 PolarHBondContact O-N 3.05Å; R85-E88 PolarHBondContact O-N 2.81Å; R85-S89 VanDerWaalsContact O-CB 3.24Å; R85-S89 WeakPolarHBondContact O-CB 3.49Å; R85-S89 PolarHBondContact O-N 2.73Å |
| 86 | L | 96.3 | Very high | 93.9 | Very high | 34 Ų | 34 | 77.2 Ų | 77.2 | 18% | 0.178 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.6 | -44 | 176 | -69.6 | 174.4 | 0 | 0 | 0 | 111.3 | K26 L29 L30 L82 Y83 S89 A90 | K26-L86 HydrophobicContact CB-CD1 4.16Å; K26-L86 HydrophobicContact CB-CD2 4.26Å; K26-L86 HydrophobicContact CD-CD2 3.93Å; K26-L86 HydrophobicContact CG-CD1 4.35Å; K26-L86 HydrophobicContact CG-CD2 4.04Å; L29-L86 HydrophobicContact CD2-CD1 4.48Å; L30-L86 HydrophobicContact CD2-CD1 4.21Å; L30-L86 HydrophobicContact CG-CD1 4.2Å; L82-L86 HydrophobicContact CD1-CD1 4.42Å; L82-L86 HydrophobicContact CD1-CG 4.23Å; L82-L86 HydrophobicContact CG-CD1 4.09Å; L82-L86 HydrophobicContact CG-CG 4.34Å; L82-L86 WeakPolarHBondContact O-CG 3.34Å; L82-L86 PolarHBondContact O-N 3.16Å; Y83-L86 PolarHBondContact O-N 3.3Å; Y83-L86 VanDerWaalsContact O-N 3.15Å; L86-S89 PolarHBondContact O-N 3.03Å; L86-A90 WeakPolarHBondContact O-CB 3.45Å; L86-A90 PolarHBondContact O-N 3.05Å |
| 87 | K | 95.8 | Very high | 93.2 | Very high | 88 Ų | 88 | 83.9 Ų | 83.9 | 38% | 0.383 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.9 | -47.9 | 174.4 | -74.9 | -172.5 | 60.8 | 159.5 | 0 | 112.1 | E41 Y83 K84 A90 K91 | E41-K87 WeakPolarHBondContact OE1-CE 3.4Å; E41-K87 IonicContact OE1-NZ 3.93Å; E41-K87 PolarHBondContact OE1-NZ 3.26Å; E41-K87 IonicContact OE2-NZ 3.73Å; E41-K87 PolarHBondContact OE2-NZ 3.43Å; Y83-K87 HydrophobicContact CD1-CD 4.23Å; Y83-K87 HydrophobicContact CE1-CD 3.61Å; Y83-K87 HydrophobicContact CE1-CG 4.28Å; Y83-K87 HydrophobicContact CE2-CD 4.37Å; Y83-K87 HydrophobicContact CE2-CG 4.26Å; Y83-K87 PolarHBondContact O-N 3.1Å; K84-K87 PolarHBondContact O-N 2.94Å; K87-A90 PolarHBondContact O-N 3.45Å; K87-K91 PolarHBondContact O-N 3.47Å |
| 88 | E | 96 | Very high | 92.2 | Very high | 88 Ų | 88 | 87 Ų | 87 | 41% | 0.411 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 179.2 | -176.7 | 56.6 | -151.7 | 0 | 0 | 111.5 | K84 R85 A90 K91 Q92 | K84-E88 PolarHBondContact O-N 3.02Å; R85-E88 PolarHBondContact O-N 2.81Å; E88-A90 VanDerWaalsContact C-N 3.32Å; E88-A90 PolarHBondContact O-N 3.29Å; E88-K91 WeakPolarHBondContact O-CB 3.42Å; E88-K91 PolarHBondContact O-N 3.34Å; E88-Q92 WeakPolarHBondContact O-CB 3.44Å; E88-Q92 VanDerWaalsContact O-CG 3.32Å; E88-Q92 WeakPolarHBondContact O-CG 3.42Å; E88-Q92 PolarHBondContact O-N 3.3Å; E88-Q92 PolarHBondContact OE1-NE2 2.86Å; E88-Q92 VanDerWaalsContact OE1-NE2 3.07Å |
| 89 | S | 93.5 | Very high | 91.1 | Very high | 65 Ų | 65 | 92 Ų | 92 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 175.1 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | R85 L86 Q92 E93 | R85-S89 VanDerWaalsContact O-CB 3.24Å; R85-S89 WeakPolarHBondContact O-CB 3.49Å; R85-S89 PolarHBondContact O-N 2.73Å; L86-S89 PolarHBondContact O-N 3.03Å; S89-Q92 PolarHBondContact O-N 3.4Å; S89-E93 WeakPolarHBondContact O-CB 3.25Å; S89-E93 PolarHBondContact O-N 3.23Å |
| 90 | A | 93.4 | Very high | 89.8 | Confident | 49 Ų | 49 | 95.8 Ų | 95.8 | 41% | 0.405 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L86 K87 E88 E93 V94 | L86-A90 WeakPolarHBondContact O-CB 3.45Å; L86-A90 PolarHBondContact O-N 3.05Å; K87-A90 PolarHBondContact O-N 3.45Å; E88-A90 VanDerWaalsContact C-N 3.32Å; E88-A90 PolarHBondContact O-N 3.29Å; A90-E93 PolarHBondContact O-N 2.96Å; A90-V94 WeakPolarHBondContact O-CG2 3.38Å; A90-V94 PolarHBondContact O-N 3.38Å |
| 91 | K | 94.1 | Very high | 88 | Confident | 142 Ų | 142 | 96.4 Ų | 96.4 | 62% | 0.617 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.6 | -45.4 | 173.9 | -175 | -176 | 177.9 | -173.6 | 0 | 111.4 | K87 E88 E93 V94 M95 | K87-K91 PolarHBondContact O-N 3.47Å; E88-K91 WeakPolarHBondContact O-CB 3.42Å; E88-K91 PolarHBondContact O-N 3.34Å; K91-E93 VanDerWaalsContact C-N 3.33Å; K91-V94 PolarHBondContact O-N 2.99Å; K91-M95 WeakPolarHBondContact O-CB 3.24Å; K91-M95 PolarHBondContact O-N 3.05Å |
| 92 | Q | 93.8 | Very high | 86.1 | Confident | 81 Ų | 81 | 97.6 Ų | 97.6 | 38% | 0.379 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 176.4 | -72.4 | 176.6 | 5.7 | 0 | 0 | 111.5 | E88 S89 M95 Q96 | E88-Q92 WeakPolarHBondContact O-CB 3.44Å; E88-Q92 VanDerWaalsContact O-CG 3.32Å; E88-Q92 WeakPolarHBondContact O-CG 3.42Å; E88-Q92 PolarHBondContact O-N 3.3Å; E88-Q92 PolarHBondContact OE1-NE2 2.86Å; E88-Q92 VanDerWaalsContact OE1-NE2 3.07Å; S89-Q92 PolarHBondContact O-N 3.4Å; Q92-M95 PolarHBondContact O-N 2.83Å; Q92-Q96 VanDerWaalsContact O-CB 3.31Å; Q92-Q96 WeakPolarHBondContact O-CB 3.26Å; Q92-Q96 VanDerWaalsContact O-CG 3.23Å; Q92-Q96 WeakPolarHBondContact O-CG 3.43Å; Q92-Q96 PolarHBondContact O-N 2.91Å |
| 93 | E | 90 | Very high | 84.2 | Confident | 88 Ų | 88 | 103.3 Ų | 103.3 | 41% | 0.411 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 175.9 | -172.8 | -179.8 | 167.8 | 0 | 0 | 111.5 | S89 A90 K91 M95 Q96 R97 | S89-E93 WeakPolarHBondContact O-CB 3.25Å; S89-E93 PolarHBondContact O-N 3.23Å; A90-E93 PolarHBondContact O-N 2.96Å; K91-E93 VanDerWaalsContact C-N 3.33Å; E93-M95 VanDerWaalsContact C-N 3.33Å; E93-M95 PolarHBondContact O-N 3.26Å; E93-Q96 PolarHBondContact O-N 3.29Å; E93-R97 HydrophobicContact CG-CG 4.43Å; E93-R97 VanDerWaalsContact O-CB 3.29Å; E93-R97 WeakPolarHBondContact O-CB 3.45Å; E93-R97 WeakPolarHBondContact O-CG 3.23Å; E93-R97 PolarHBondContact O-N 3.04Å; E93-R97 IonicContact OE1-CZ 3.31Å; E93-R97 VanDerWaalsContact OE1-CZ 3.24Å; E93-R97 IonicContact OE1-NE 2.82Å; E93-R97 PolarHBondContact OE1-NE 3.34Å; E93-R97 VanDerWaalsContact OE1-NE 3.1Å; E93-R97 IonicContact OE1-NH2 3.59Å; E93-R97 PolarHBondContact OE1-NH2 3Å |
| 94 | V | 88.1 | Confident | 82.1 | Confident | 81 Ų | 81 | 108.4 Ų | 108.4 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 174.4 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | A90 K91 R97 R98 | A90-V94 WeakPolarHBondContact O-CG2 3.38Å; A90-V94 PolarHBondContact O-N 3.38Å; K91-V94 PolarHBondContact O-N 2.99Å; V94-R97 PolarHBondContact O-N 3.08Å; V94-R98 WeakPolarHBondContact O-CG 3.32Å; V94-R98 PolarHBondContact O-N 3.49Å |
| 95 | M | 86.3 | Confident | 80.2 | Confident | 101 Ų | 101 | 105.2 Ų | 105.2 | 50% | 0.498 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 176.7 | -173.5 | 178 | 76.2 | 0 | 0 | 111.6 | K91 Q92 E93 R97 R98 H99 | K91-M95 WeakPolarHBondContact O-CB 3.24Å; K91-M95 PolarHBondContact O-N 3.05Å; Q92-M95 PolarHBondContact O-N 2.83Å; E93-M95 VanDerWaalsContact C-N 3.33Å; E93-M95 PolarHBondContact O-N 3.26Å; M95-R97 PolarHBondContact O-N 3.46Å; M95-R98 WeakPolarHBondContact O-CB 3.44Å; M95-R98 PolarHBondContact O-N 3.09Å; M95-R98 VanDerWaalsContact O-N 3.16Å; M95-H99 PolarHBondContact O-CD2 2.91Å; M95-H99 PolarHBondContact O-N 3.41Å |
| 96 | Q | 84.1 | Confident | 78.5 | Confident | 120 Ų | 120 | 100.2 Ų | 100.2 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 176 | -75.3 | 176.2 | 40.1 | 0 | 0 | 111.4 | Q92 E93 R98 H99 A100 | Q92-Q96 VanDerWaalsContact O-CB 3.31Å; Q92-Q96 WeakPolarHBondContact O-CB 3.26Å; Q92-Q96 VanDerWaalsContact O-CG 3.23Å; Q92-Q96 WeakPolarHBondContact O-CG 3.43Å; Q92-Q96 PolarHBondContact O-N 2.91Å; E93-Q96 PolarHBondContact O-N 3.29Å; Q96-R98 VanDerWaalsContact C-N 3.3Å; Q96-R98 PolarHBondContact O-N 3.4Å; Q96-H99 CarbonylContact O-C 3.6Å; Q96-H99 PolarHBondContact O-N 2.99Å; Q96-A100 WeakPolarHBondContact O-CB 3.3Å; Q96-A100 PolarHBondContact O-N 3.44Å |
| 97 | R | 80.4 | Confident | 76.8 | Confident | 158 Ų | 158 | 102.8 Ų | 102.8 | 60% | 0.596 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.1 | -38.9 | 173.2 | -74.5 | 175.7 | -177.6 | -142.5 | 4.5 | 111.4 | E93 V94 M95 H99 A100 Q101 | E93-R97 HydrophobicContact CG-CG 4.43Å; E93-R97 VanDerWaalsContact O-CB 3.29Å; E93-R97 WeakPolarHBondContact O-CB 3.45Å; E93-R97 WeakPolarHBondContact O-CG 3.23Å; E93-R97 PolarHBondContact O-N 3.04Å; E93-R97 IonicContact OE1-CZ 3.31Å; E93-R97 VanDerWaalsContact OE1-CZ 3.24Å; E93-R97 IonicContact OE1-NE 2.82Å; E93-R97 PolarHBondContact OE1-NE 3.34Å; E93-R97 VanDerWaalsContact OE1-NE 3.1Å; E93-R97 IonicContact OE1-NH2 3.59Å; E93-R97 PolarHBondContact OE1-NH2 3Å; V94-R97 PolarHBondContact O-N 3.08Å; M95-R97 PolarHBondContact O-N 3.46Å; R97-H99 VanDerWaalsContact C-N 3.35Å; R97-A100 PolarHBondContact O-N 2.85Å; R97-Q101 WeakPolarHBondContact O-CB 2.99Å; R97-Q101 WeakPolarHBondContact O-CG 3.49Å; R97-Q101 PolarHBondContact O-N 3.5Å |
| 98 | R | 75.3 | Confident | 75.6 | Confident | 191 Ų | 191 | 99.1 Ų | 99.1 | 72% | 0.721 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.4 | -36.1 | 174.2 | -78.7 | -171.2 | -176.7 | -99.2 | 3.3 | 113 | V94 M95 Q96 | V94-R98 WeakPolarHBondContact O-CG 3.32Å; V94-R98 PolarHBondContact O-N 3.49Å; M95-R98 WeakPolarHBondContact O-CB 3.44Å; M95-R98 PolarHBondContact O-N 3.09Å; M95-R98 VanDerWaalsContact O-N 3.16Å; Q96-R98 VanDerWaalsContact C-N 3.3Å; Q96-R98 PolarHBondContact O-N 3.4Å |
| 99 | H | 70.6 | Confident | 74.8 | Confident | 130 Ų | 130 | 97.9 Ų | 97.9 | 60% | 0.602 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -82.1 | -27.5 | 176.6 | -67.3 | -58 | 0 | 0 | 0 | 113.8 | M95 Q96 R97 | M95-H99 PolarHBondContact O-CD2 2.91Å; M95-H99 PolarHBondContact O-N 3.41Å; Q96-H99 CarbonylContact O-C 3.6Å; Q96-H99 PolarHBondContact O-N 2.99Å; R97-H99 VanDerWaalsContact C-N 3.35Å |
| 100 | A | 70.1 | Confident | 74.2 | Confident | 79 Ų | 79 | 99.9 Ų | 99.9 | 65% | 0.653 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -82.4 | -22.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q96 R97 P102 | Q96-A100 WeakPolarHBondContact O-CB 3.3Å; Q96-A100 PolarHBondContact O-N 3.44Å; R97-A100 PolarHBondContact O-N 2.85Å; A100-P102 VanDerWaalsContact O-CD 3.25Å; A100-P102 WeakPolarHBondContact O-CD 3.45Å |
| 101 | Q | 57.8 | Low | 73.6 | Confident | 106 Ų | 106 | 101.3 Ų | 101.3 | 50% | 0.495 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -79.3 | 109.5 | 161.3 | -69.3 | -67.9 | -18.8 | 0 | 0 | 106.8 | R97 E103 | R97-Q101 WeakPolarHBondContact O-CB 2.99Å; R97-Q101 WeakPolarHBondContact O-CG 3.49Å; R97-Q101 PolarHBondContact O-N 3.5Å; Q101-E103 PolarHBondContact O-N 3Å; Q101-E103 VanDerWaalsContact O-N 3.16Å |
| 102 | P | 56.4 | Low | 72.9 | Confident | 78 Ų | 78 | 96.6 Ų | 96.6 | 51% | 0.506 | 50% | 0.5 | S | S | . | . | trans | -55.9 | 131 | 170.3 | 21.9 | -28 | 0 | 0 | 0 | 106.9 | A100 Y104 R105 | A100-P102 VanDerWaalsContact O-CD 3.25Å; A100-P102 WeakPolarHBondContact O-CD 3.45Å; P102-Y104 WeakPolarHBondContact O-CA 3.44Å; P102-Y104 PolarHBondContact O-N 3.33Å; P102-R105 PolarHBondContact O-N 3.03Å | ||
| 103 | E | 56.4 | Low | 72.3 | Confident | 131 Ų | 131 | 98.1 Ų | 98.1 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -15.6 | -179.9 | -72.2 | 77.1 | -172.5 | 0 | 0 | 112.6 | Q101 R105 G106 S107 | Q101-E103 PolarHBondContact O-N 3Å; Q101-E103 VanDerWaalsContact O-N 3.16Å; E103-R105 PolarHBondContact O-N 3.47Å; E103-R105 VanDerWaalsContact O-N 3.13Å; E103-G106 PolarHBondContact O-N 3.49Å; E103-S107 PolarHBondContact O-N 2.99Å; E103-S107 PolarHBondContact O-OG 3.01Å |
| 104 | Y | 51.8 | Low | 71.9 | Confident | 129 Ų | 129 | 100.1 Ų | 100.1 | 51% | 0.506 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -38.6 | -41.5 | 163.1 | -157 | -112.5 | 0 | 0 | 0 | 114.2 | P102 G106 S107 I108 T112 | P102-Y104 WeakPolarHBondContact O-CA 3.44Å; P102-Y104 PolarHBondContact O-N 3.33Å; Y104-G106 VanDerWaalsContact C-N 3.29Å; Y104-G106 PolarHBondContact O-N 3.43Å; Y104-S107 CarbonylContact O-C 3.5Å; Y104-S107 PolarHBondContact O-N 3.4Å; Y104-I108 HydrophobicContact CD1-CG2 3.29Å; Y104-I108 HydrophobicContact CD2-CG2 4.05Å; Y104-I108 HydrophobicContact CE1-CG2 3.2Å; Y104-I108 HydrophobicContact CE2-CG2 3.97Å; Y104-I108 HydrophobicContact CG-CG2 3.72Å; Y104-I108 WeakPolarHBondContact O-CA 3.42Å; Y104-I108 WeakPolarHBondContact O-CB 3.32Å; Y104-I108 WeakPolarHBondContact O-CG1 3.35Å; Y104-I108 WeakPolarHBondContact O-CG2 3.48Å; Y104-I108 PolarHBondContact O-N 3Å; Y104-T112 HydrophobicContact CE1-CG2 4.26Å |
| 105 | R | 56.6 | Low | 71.6 | Confident | 96 Ų | 96 | 100 Ų | 100 | 36% | 0.362 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -28.6 | 178.6 | -74.7 | -73.7 | -171.4 | -177.9 | 2.1 | 114 | P102 E103 M116 | P102-R105 PolarHBondContact O-N 3.03Å; E103-R105 PolarHBondContact O-N 3.47Å; E103-R105 VanDerWaalsContact O-N 3.13Å; R105-M116 PolarHBondContact NH1-SD 3.47Å; R105-M116 VanDerWaalsContact NH1-SD 3.39Å |
| 106 | G | 60.5 | Low | 71.2 | Confident | 69 Ų | 69 | 96 Ų | 96 | 71% | 0.711 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -87.6 | -27 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E103 Y104 | E103-G106 PolarHBondContact O-N 3.49Å; Y104-G106 VanDerWaalsContact C-N 3.29Å; Y104-G106 PolarHBondContact O-N 3.43Å |
| 107 | S | 61.1 | Low | 71 | Confident | 88 Ų | 88 | 96.4 Ų | 96.4 | 62% | 0.615 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -109 | 14.4 | -177.6 | 71.5 | 0 | 0 | 0 | 0 | 114.3 | E103 Y104 | E103-S107 PolarHBondContact O-N 2.99Å; E103-S107 PolarHBondContact O-OG 3.01Å; Y104-S107 CarbonylContact O-C 3.5Å; Y104-S107 PolarHBondContact O-N 3.4Å |
| 108 | I | 72 | Confident | 71.1 | Confident | 12 Ų | 12 | 95.7 Ų | 95.7 | 6% | 0.062 | 49% | 0.492 | C | S | . | . | trans | -74.8 | 137.5 | 172.4 | 50.1 | 176.1 | 0 | 0 | 0 | 109.9 | Y104 T112 R113 M116 | Y104-I108 HydrophobicContact CD1-CG2 3.29Å; Y104-I108 HydrophobicContact CD2-CG2 4.05Å; Y104-I108 HydrophobicContact CE1-CG2 3.2Å; Y104-I108 HydrophobicContact CE2-CG2 3.97Å; Y104-I108 HydrophobicContact CG-CG2 3.72Å; Y104-I108 WeakPolarHBondContact O-CA 3.42Å; Y104-I108 WeakPolarHBondContact O-CB 3.32Å; Y104-I108 WeakPolarHBondContact O-CG1 3.35Å; Y104-I108 WeakPolarHBondContact O-CG2 3.48Å; Y104-I108 PolarHBondContact O-N 3Å; I108-T112 HydrophobicContact CB-CG2 4.2Å; I108-T112 HydrophobicContact CG2-CG2 3.89Å; I108-R113 HydrophobicContact CD1-CB 3.7Å; I108-R113 HydrophobicContact CD1-CG 4.05Å; I108-R113 HydrophobicContact CG1-CB 4.23Å; I108-M116 HydrophobicContact CD1-SD 3.75Å; I108-M116 HydrophobicContact CG2-SD 4.4Å | ||
| 109 | S | 77.8 | Confident | 71.4 | Confident | 62 Ų | 62 | 89.3 Ų | 89.3 | 43% | 0.434 | 47% | 0.472 | S | S | . | . | trans | -59.6 | 149.3 | 170.8 | 72 | 0 | 0 | 0 | 0 | 110 | P111 T112 R113 | S109-P111 VanDerWaalsContact C-CD 3.43Å; S109-P111 VanDerWaalsContact C-N 3.27Å; S109-T112 PolarHBondContact O-N 3.36Å; S109-T112 PolarHBondContact OG-N 3.23Å; S109-T112 PolarHBondContact OG-OG1 3.13Å; S109-R113 PolarHBondContact O-N 2.83Å | ||
| 110 | E | 81 | Confident | 71.2 | Confident | 107 Ų | 107 | 86 Ų | 86 | 50% | 0.5 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -53.3 | -38.1 | 178 | -169.5 | -104.6 | -178.8 | 0 | 0 | 112.9 | R113 R114 | E110-R113 PolarHBondContact O-N 3.34Å; E110-R114 VanDerWaalsContact CD-NH1 3.35Å; E110-R114 PolarHBondContact O-N 3.45Å; E110-R114 IonicContact OE1-CZ 3.3Å; E110-R114 VanDerWaalsContact OE1-CZ 3.24Å; E110-R114 IonicContact OE1-NH1 3.68Å; E110-R114 PolarHBondContact OE1-NH1 2.64Å; E110-R114 IonicContact OE1-NH2 2.71Å; E110-R114 PolarHBondContact OE1-NH2 3.36Å; E110-R114 IonicContact OE2-CZ 3.4Å; E110-R114 IonicContact OE2-NH1 2.82Å; E110-R114 PolarHBondContact OE2-NH1 3.43Å; E110-R114 VanDerWaalsContact OE2-NH1 3.09Å |
| 111 | P | 81.8 | Confident | 71 | Confident | 79 Ų | 79 | 88.2 Ų | 88.2 | 51% | 0.513 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 170.6 | -26.3 | 35.4 | 0 | 0 | 0 | 114 | S109 R113 R114 V115 | S109-P111 VanDerWaalsContact C-CD 3.43Å; S109-P111 VanDerWaalsContact C-N 3.27Å; P111-R113 VanDerWaalsContact C-N 3.32Å; P111-R113 PolarHBondContact O-N 3.5Å; P111-R114 PolarHBondContact O-N 2.9Å; P111-V115 WeakPolarHBondContact O-CG2 3.23Å; P111-V115 PolarHBondContact O-N 3.42Å; P111-V115 VanDerWaalsContact O-N 3.08Å |
| 112 | T | 78.6 | Confident | 71.3 | Confident | 43 Ų | 43 | 88.4 Ų | 88.4 | 26% | 0.264 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 178.5 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | Y104 I108 S109 V115 M116 | Y104-T112 HydrophobicContact CE1-CG2 4.26Å; I108-T112 HydrophobicContact CB-CG2 4.2Å; I108-T112 HydrophobicContact CG2-CG2 3.89Å; S109-T112 PolarHBondContact O-N 3.36Å; S109-T112 PolarHBondContact OG-N 3.23Å; S109-T112 PolarHBondContact OG-OG1 3.13Å; T112-V115 PolarHBondContact O-N 3.42Å; T112-M116 HydrophobicContact CG2-CG 4.45Å; T112-M116 HydrophobicContact CG2-SD 4.17Å; T112-M116 VanDerWaalsContact O-CG 3.24Å; T112-M116 WeakPolarHBondContact O-CG 3.31Å; T112-M116 PolarHBondContact O-N 3.07Å |
| 113 | R | 81.3 | Confident | 71.6 | Confident | 112 Ų | 112 | 88.8 Ų | 88.8 | 42% | 0.423 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 174.2 | -172.3 | -176.8 | -60.1 | 169.3 | 2.9 | 111.6 | I108 S109 E110 P111 V115 M116 E117 | I108-R113 HydrophobicContact CD1-CB 3.7Å; I108-R113 HydrophobicContact CD1-CG 4.05Å; I108-R113 HydrophobicContact CG1-CB 4.23Å; S109-R113 PolarHBondContact O-N 2.83Å; E110-R113 PolarHBondContact O-N 3.34Å; P111-R113 VanDerWaalsContact C-N 3.32Å; P111-R113 PolarHBondContact O-N 3.5Å; R113-V115 VanDerWaalsContact C-N 3.33Å; R113-V115 PolarHBondContact O-N 3.16Å; R113-M116 PolarHBondContact O-N 3.01Å; R113-E117 WeakPolarHBondContact CG-OE1 3.21Å; R113-E117 WeakPolarHBondContact O-CG 3.2Å; R113-E117 PolarHBondContact O-N 3.07Å |
| 114 | R | 81.5 | Confident | 71.6 | Confident | 130 Ų | 130 | 87.8 Ų | 87.8 | 49% | 0.491 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.2 | -42 | 178.2 | -174.2 | 176.2 | -78.7 | 117.4 | 2.2 | 111.8 | E110 P111 E117 M118 | E110-R114 VanDerWaalsContact CD-NH1 3.35Å; E110-R114 PolarHBondContact O-N 3.45Å; E110-R114 IonicContact OE1-CZ 3.3Å; E110-R114 VanDerWaalsContact OE1-CZ 3.24Å; E110-R114 IonicContact OE1-NH1 3.68Å; E110-R114 PolarHBondContact OE1-NH1 2.64Å; E110-R114 IonicContact OE1-NH2 2.71Å; E110-R114 PolarHBondContact OE1-NH2 3.36Å; E110-R114 IonicContact OE2-CZ 3.4Å; E110-R114 IonicContact OE2-NH1 2.82Å; E110-R114 PolarHBondContact OE2-NH1 3.43Å; E110-R114 VanDerWaalsContact OE2-NH1 3.09Å; P111-R114 PolarHBondContact O-N 2.9Å; R114-E117 PolarHBondContact O-N 3.18Å; R114-M118 HydrophobicContact CG-SD 4.35Å; R114-M118 VanDerWaalsContact O-CG 3.26Å; R114-M118 WeakPolarHBondContact O-CG 3.29Å; R114-M118 PolarHBondContact O-N 3.19Å |
| 115 | V | 82.3 | Confident | 71.6 | Confident | 78 Ų | 78 | 88.9 Ų | 88.9 | 47% | 0.473 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 176.4 | 173.1 | 0 | 0 | 0 | 0 | 112.1 | P111 T112 R113 E117 M118 I119 | P111-V115 WeakPolarHBondContact O-CG2 3.23Å; P111-V115 PolarHBondContact O-N 3.42Å; P111-V115 VanDerWaalsContact O-N 3.08Å; T112-V115 PolarHBondContact O-N 3.42Å; R113-V115 VanDerWaalsContact C-N 3.33Å; R113-V115 PolarHBondContact O-N 3.16Å; V115-E117 VanDerWaalsContact C-N 3.28Å; V115-E117 PolarHBondContact O-N 3.01Å; V115-M118 PolarHBondContact O-N 3.39Å; V115-I119 HydrophobicContact CG1-CD1 4.26Å; V115-I119 PolarHBondContact O-N 2.76Å |
| 116 | M | 77.9 | Confident | 71.2 | Confident | 17 Ų | 17 | 88.2 Ų | 88.2 | 8% | 0.084 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -65.3 | -31.4 | 177.2 | -68 | 176.2 | 96.8 | 0 | 0 | 112.7 | R105 I108 T112 R113 F123 | R105-M116 PolarHBondContact NH1-SD 3.47Å; R105-M116 VanDerWaalsContact NH1-SD 3.39Å; I108-M116 HydrophobicContact CD1-SD 3.75Å; I108-M116 HydrophobicContact CG2-SD 4.4Å; T112-M116 HydrophobicContact CG2-CG 4.45Å; T112-M116 HydrophobicContact CG2-SD 4.17Å; T112-M116 VanDerWaalsContact O-CG 3.24Å; T112-M116 WeakPolarHBondContact O-CG 3.31Å; T112-M116 PolarHBondContact O-N 3.07Å; R113-M116 PolarHBondContact O-N 3.01Å; M116-F123 HydrophobicContact CB-CD2 4.11Å; M116-F123 HydrophobicContact CB-CE2 4.17Å; M116-F123 HydrophobicContact CE-CD1 3.63Å; M116-F123 HydrophobicContact CE-CE1 3.7Å; M116-F123 HydrophobicContact CE-CG 4.1Å; M116-F123 HydrophobicContact CE-CZ 4.22Å; M116-F123 HydrophobicContact CG-CD2 4.21Å; M116-F123 HydrophobicContact CG-CE1 4.43Å; M116-F123 HydrophobicContact CG-CE2 3.9Å; M116-F123 HydrophobicContact CG-CZ 4.02Å |
| 117 | E | 79.1 | Confident | 70.4 | Confident | 129 Ų | 129 | 88.2 Ų | 88.2 | 60% | 0.603 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -74.6 | -36.5 | 174.1 | -72 | 169.5 | -172.7 | 0 | 0 | 112.2 | R113 R114 V115 I119 | R113-E117 WeakPolarHBondContact CG-OE1 3.21Å; R113-E117 WeakPolarHBondContact O-CG 3.2Å; R113-E117 PolarHBondContact O-N 3.07Å; R114-E117 PolarHBondContact O-N 3.18Å; V115-E117 VanDerWaalsContact C-N 3.28Å; V115-E117 PolarHBondContact O-N 3.01Å; E117-I119 PolarHBondContact O-N 3.01Å |
| 118 | M | 82.4 | Confident | 69.6 | Low | 144 Ų | 144 | 90.7 Ų | 90.7 | 71% | 0.709 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.7 | -21.4 | 177.1 | -75 | 179.4 | 69.2 | 0 | 0 | 113.7 | R114 V115 P120 | R114-M118 HydrophobicContact CG-SD 4.35Å; R114-M118 VanDerWaalsContact O-CG 3.26Å; R114-M118 WeakPolarHBondContact O-CG 3.29Å; R114-M118 PolarHBondContact O-N 3.19Å; V115-M118 PolarHBondContact O-N 3.39Å; M118-P120 VanDerWaalsContact C-CD 3.43Å; M118-P120 WeakPolarHBondContact O-CD 3.48Å |
| 119 | I | 81.8 | Confident | 68.1 | Low | 56 Ų | 56 | 97.9 Ų | 97.9 | 29% | 0.287 | 52% | 0.515 | S | S | . | . | trans | -123.2 | 70.6 | -178.7 | -42.2 | 176.1 | 0 | 0 | 0 | 110.6 | V115 E117 H121 L122 F123 | V115-I119 HydrophobicContact CG1-CD1 4.26Å; V115-I119 PolarHBondContact O-N 2.76Å; E117-I119 PolarHBondContact O-N 3.01Å; I119-H121 VanDerWaalsContact C-N 3.31Å; I119-H121 WeakPolarHBondContact CG2-CE1 3.35Å; I119-H121 WeakPolarHBondContact CG2-NE2 3.18Å; I119-H121 PolarHBondContact O-N 3.39Å; I119-L122 HydrophobicContact CB-CD1 4.24Å; I119-L122 HydrophobicContact CD1-CD1 4.36Å; I119-L122 HydrophobicContact CG2-CB 4.24Å; I119-L122 HydrophobicContact CG2-CD1 3.5Å; I119-L122 VanDerWaalsContact CG2-CD1 3.5Å; I119-L122 HydrophobicContact CG2-CG 3.58Å; I119-L122 PolarHBondContact O-N 2.96Å; I119-F123 WeakPolarHBondContact O-CD2 3.34Å | ||
| 120 | P | 66.3 | Low | 66.4 | Low | 60 Ų | 60 | 104.6 Ų | 104.6 | 39% | 0.39 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | -172.5 | -23.7 | 32.9 | 0 | 0 | 0 | 112.8 | M118 L122 F123 H124 | M118-P120 VanDerWaalsContact C-CD 3.43Å; M118-P120 WeakPolarHBondContact O-CD 3.48Å; P120-L122 PolarHBondContact O-N 3.26Å; P120-L122 VanDerWaalsContact O-N 3.13Å; P120-F123 PolarHBondContact O-N 3.34Å; P120-H124 VanDerWaalsContact C-ND1 3.29Å; P120-H124 WeakPolarHBondContact CA-ND1 3.26Å; P120-H124 WeakPolarHBondContact O-CB 3.36Å; P120-H124 PolarHBondContact O-N 3.2Å; P120-H124 VanDerWaalsContact O-N 3.09Å; P120-H124 PolarHBondContact O-ND1 3.38Å |
| 121 | H | 66.4 | Low | 64.6 | Low | 126 Ų | 126 | 105 Ų | 105 | 58% | 0.583 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.1 | -24.4 | -172.3 | 53.5 | -88.9 | 0 | 0 | 0 | 114 | I119 F123 H125 | I119-H121 VanDerWaalsContact C-N 3.31Å; I119-H121 WeakPolarHBondContact CG2-CE1 3.35Å; I119-H121 WeakPolarHBondContact CG2-NE2 3.18Å; I119-H121 PolarHBondContact O-N 3.39Å; H121-F123 VanDerWaalsContact C-N 3.32Å; H121-F123 PolarHBondContact O-N 3.4Å; H121-H125 PolarHBondContact O-CE1 3.2Å; H121-H125 PolarHBondContact O-ND1 2.89Å |
| 122 | L | 65 | Low | 62.9 | Low | 110 Ų | 110 | 109.9 Ų | 109.9 | 58% | 0.576 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -76 | -20 | 177.8 | -66.4 | -178.6 | 0 | 0 | 0 | 113.5 | I119 P120 | I119-L122 HydrophobicContact CB-CD1 4.24Å; I119-L122 HydrophobicContact CD1-CD1 4.36Å; I119-L122 HydrophobicContact CG2-CB 4.24Å; I119-L122 HydrophobicContact CG2-CD1 3.5Å; I119-L122 VanDerWaalsContact CG2-CD1 3.5Å; I119-L122 HydrophobicContact CG2-CG 3.58Å; I119-L122 PolarHBondContact O-N 2.96Å; P120-L122 PolarHBondContact O-N 3.26Å; P120-L122 VanDerWaalsContact O-N 3.13Å |
| 123 | F | 62 | Low | 60.9 | Low | 86 Ų | 86 | 114.1 Ų | 114.1 | 38% | 0.377 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -126.9 | -4.6 | -167.3 | -59.6 | -71.6 | 0 | 0 | 0 | 114.9 | M116 I119 P120 H121 | M116-F123 HydrophobicContact CB-CD2 4.11Å; M116-F123 HydrophobicContact CB-CE2 4.17Å; M116-F123 HydrophobicContact CE-CD1 3.63Å; M116-F123 HydrophobicContact CE-CE1 3.7Å; M116-F123 HydrophobicContact CE-CG 4.1Å; M116-F123 HydrophobicContact CE-CZ 4.22Å; M116-F123 HydrophobicContact CG-CD2 4.21Å; M116-F123 HydrophobicContact CG-CE1 4.43Å; M116-F123 HydrophobicContact CG-CE2 3.9Å; M116-F123 HydrophobicContact CG-CZ 4.02Å; I119-F123 WeakPolarHBondContact O-CD2 3.34Å; P120-F123 PolarHBondContact O-N 3.34Å; H121-F123 VanDerWaalsContact C-N 3.32Å; H121-F123 PolarHBondContact O-N 3.4Å |
| 124 | H | 57.4 | Low | 59.1 | Low | 111 Ų | 111 | 114.3 Ų | 114.3 | 51% | 0.514 | 59% | 0.594 | S | S | . | * | trans | -93.4 | 3.6 | -178.5 | -73.5 | 71.4 | 0 | 0 | 0 | 114.6 | P120 G126 A127 | P120-H124 VanDerWaalsContact C-ND1 3.29Å; P120-H124 WeakPolarHBondContact CA-ND1 3.26Å; P120-H124 WeakPolarHBondContact O-CB 3.36Å; P120-H124 PolarHBondContact O-N 3.2Å; P120-H124 VanDerWaalsContact O-N 3.09Å; P120-H124 PolarHBondContact O-ND1 3.38Å; H124-G126 PolarHBondContact O-N 3.41Å; H124-A127 PolarHBondContact O-N 2.99Å | ||
| 125 | H | 50.8 | Low | 57.4 | Low | 152 Ų | 152 | 112 Ų | 112 | 70% | 0.704 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -8.2 | -177.7 | -68.9 | 23.5 | 0 | 0 | 0 | 114.5 | H121 | H121-H125 PolarHBondContact O-CE1 3.2Å; H121-H125 PolarHBondContact O-ND1 2.89Å |
| 126 | G | 48.3 | Very low | 55.6 | Low | 82 Ų | 82 | 113.9 Ų | 113.9 | 85% | 0.845 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -3.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | H124 | H124-G126 PolarHBondContact O-N 3.41Š|
| 127 | A | 43.4 | Very low | 54 | Low | 69 Ų | 69 | 121 Ų | 121 | 57% | 0.57 | 65% | 0.65 | S | S | * | * | trans | -118.8 | 49.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110 | H124 H129 | H124-A127 PolarHBondContact O-N 2.99Å; A127-H129 PolarHBondContact O-N 3.02Å | ||
| 128 | I | 44.9 | Very low | 52.1 | Low | 140 Ų | 140 | 123.5 Ų | 123.5 | 72% | 0.718 | 66% | 0.661 | S | S | * | * | trans | -71.3 | 104.2 | 167.6 | -63 | -175 | 0 | 0 | 0 | 107.1 | H130 | I128-H130 PolarHBondContact O-N 3.43Š| ||
| 129 | H | 40.4 | Very low | 50.2 | Low | 163 Ų | 163 | 127.7 Ų | 127.7 | 76% | 0.755 | 67% | 0.669 | S | S | * | * | trans | -22.6 | 117.2 | 150.7 | -76.6 | -105.2 | 0 | 0 | 0 | 112.2 | A127 D131 | A127-H129 PolarHBondContact O-N 3.02Å; H129-D131 PolarHBondContact O-N 3.49Å | ||
| 130 | H | 42.3 | Very low | 48.3 | Very low | 202 Ų | 202 | 130.9 Ų | 130.9 | 94% | 0.935 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -61.1 | 80.8 | 146.1 | -88.5 | -79.8 | 0 | 0 | 0 | 108.2 | I128 | I128-H130 PolarHBondContact O-N 3.43Š|
| 131 | D | 41.9 | Very low | 47.2 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 63% | 0.626 | 71% | 0.708 | S | S | * | * | trans | -157.7 | 123.6 | 151 | -146.5 | 0.5 | 0 | 0 | 0 | 110.6 | H129 | H129-D131 PolarHBondContact O-N 3.49Š| ||
| 132 | K | 46.6 | Very low | 45.9 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 78% | 0.783 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 54.3 | 100.8 | 161.3 | -71.2 | 159.6 | -177.5 | 176.5 | 0 | 119.6 | ||
| 133 | D | 38 | Very low | 44.2 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | 139 | 118.8 | 120.9 | -109 | -26.6 | 0 | 0 | 0 | 112 | A135 | D133-A135 PolarHBondContact O-N 3.11Š| |||
| 134 | P | 42.8 | Very low | 43.1 | Very low | 115 Ų | 115 | 149 Ų | 149 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 5.5 | -177.9 | 31.4 | -33.9 | 0 | 0 | 0 | 114.5 | ||
| 135 | A | 44.8 | Very low | 41.8 | Very low | 83 Ų | 83 | 151.3 Ų | 151.3 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -14.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | D133 | D133-A135 PolarHBondContact O-N 3.11Š|
| 136 | T | 45.8 | Very low | 41 | Very low | 116 Ų | 116 | 149.2 Ų | 149.2 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -98.5 | -7.5 | -169.1 | -30.3 | 0 | 0 | 0 | 0 | 113.9 | H138 | T136-H138 PolarHBondContact O-N 2.94Š|
| 137 | M | 43.7 | Very low | 40.7 | Very low | 168 Ų | 168 | 151.8 Ų | 151.8 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 1.3 | -174.2 | -76.2 | -81.9 | -87.8 | 0 | 0 | 115.2 | ||
| 138 | H | 39.8 | Very low | 40.1 | Very low | 180 Ų | 180 | 157.1 Ų | 157.1 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 4.8 | -177.4 | -89.7 | -60.5 | 0 | 0 | 0 | 116.1 | T136 | T136-H138 PolarHBondContact O-N 2.94Š|
| 139 | R | 42.3 | Very low | 39.6 | Very low | 232 Ų | 232 | 158.3 Ų | 158.3 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -103.5 | 3 | -171.7 | -146.7 | -177.2 | -175.7 | -154.7 | 0.7 | 116.7 | ||
| 140 | V | 41.1 | Very low | 39.2 | Very low | 124 Ų | 124 | 158.8 Ų | 158.8 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -123.4 | 41.9 | -174.4 | -113.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 141 | M | 42.5 | Very low | 39.4 | Very low | 152 Ų | 152 | 154.7 Ų | 154.7 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -138 | 117.5 | 163.6 | -68 | -86.9 | 96.8 | 0 | 0 | 107.3 | ||
| 142 | Y | 40.8 | Very low | 38.8 | Very low | 223 Ų | 223 | 152.5 Ų | 152.5 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | 75.6 | 103.2 | 175.1 | -50.2 | -80.5 | 0 | 0 | 0 | 117.3 | ||||
| 143 | K | 29 | Very low | 37.9 | Very low | 206 Ų | 206 | 150 Ų | 150 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | -174.5 | 109.5 | 117.6 | -97.9 | -169.3 | -178.4 | -158.8 | 0 | 110.8 | |||||
| 144 | H | 38 | Very low | 37.7 | Very low | 180 Ų | 180 | 149.7 Ų | 149.7 | 83% | 0.833 | 81% | 0.81 | S | S | * | * | trans | -69.9 | 127.1 | 145.7 | -92.6 | -96.7 | 0 | 0 | 0 | 107 | ||||
| 145 | D | 31.5 | Very low | 37 | Very low | 160 Ų | 160 | 150 Ų | 150 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -179 | 144.9 | 132 | -94 | -36.8 | 0 | 0 | 0 | 111.6 | ||||
| 146 | S | 33.7 | Very low | 36.4 | Very low | 108 Ų | 108 | 151.1 Ų | 151.1 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | trans | -55.4 | 159.7 | -168.7 | -49.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 147 | P | 41.6 | Very low | 35.9 | Very low | 136 Ų | 136 | 153.2 Ų | 153.2 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -90 | 118.8 | 171.7 | 32.3 | -24.7 | 0 | 0 | 0 | 111.2 | ||||
| 148 | M | 30.1 | Very low | 35.9 | Very low | 181 Ų | 181 | 150.3 Ų | 150.3 | 89% | 0.892 | 82% | 0.817 | S | S | * | * | trans | -109.5 | 120.3 | 163.4 | -168 | 157.6 | 83.5 | 0 | 0 | 108.5 | ||||
| 149 | E | 35.9 | Very low | 35.4 | Very low | 165 Ų | 165 | 149 Ų | 149 | 77% | 0.771 | 82% | 0.816 | S | S | * | * | trans | 22.5 | 115.9 | 154.5 | -63.8 | -80.7 | 126.2 | 0 | 0 | 120.5 | ||||
| 150 | Q | 30.9 | Very low | 34.9 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | 34.5 | 168.5 | 133.6 | -79.8 | -158.2 | -14.1 | 0 | 0 | 123.4 | ||||
| 151 | P | 46.4 | Very low | 35.3 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | cis | -136.7 | 174.1 | -30.2 | 34.1 | -15.5 | 0 | 0 | 0 | 113.2 | ||||
| 152 | G | 28.8 | Very low | 34.7 | Very low | 70 Ų | 70 | 146 Ų | 146 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | 153.5 | 119.9 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 153 | S | 28.8 | Very low | 34.1 | Very low | 129 Ų | 129 | 143 Ų | 143 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | 94.8 | 94.7 | 142.9 | -55 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 154 | S | 32.8 | Very low | 35.1 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | trans | -51.1 | 152.9 | 154.9 | -48.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 155 | S | 29 | Very low | 34.8 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | -168.8 | 152.8 | 117 | -162.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 156 | S | 32.1 | Very low | 34.8 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -78.3 | 156.4 | -158.3 | 43.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 157 | L | 34.7 | Very low | 34.8 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -38.2 | 176.2 | 151.4 | -69.6 | 172.3 | 0 | 0 | 0 | 114.7 | ||||
| 158 | P | 45 | Very low | 34.3 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | cis | -154.6 | 174.5 | 28.7 | 41.4 | -17.5 | 0 | 0 | 0 | 120.8 | ||||
| 159 | D | 28.7 | Very low | 34.4 | Very low | 153 Ų | 153 | 137.5 Ų | 137.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 62.9 | 136.3 | 137.6 | -71.3 | -23.7 | 0 | 0 | 0 | 126.8 | ||||
| 160 | Y | 32.3 | Very low | 34.3 | Very low | 219 Ų | 219 | 135.3 Ų | 135.3 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -44.8 | 176.2 | 157.2 | -92.1 | -98.7 | 0 | 0 | 0 | 114.5 | ||||
| 161 | P | 49.4 | Very low | 34.2 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | cis | -140.4 | 172.9 | 28.5 | 34.4 | -9.6 | 0 | 0 | 0 | 115.9 | ||||
| 162 | S | 28.6 | Very low | 33.3 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | 160.9 | 148.2 | 85.2 | 41.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 163 | N | 29.1 | Very low | 33.4 | Very low | 160 Ų | 160 | 138.7 Ų | 138.7 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -62.9 | -179.1 | 174 | -89.2 | -9.2 | 0 | 0 | 0 | 113.8 | ||||
| 164 | P | 50.1 | Low | 33.6 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | cis | -149.2 | -169.6 | 24.7 | 34.2 | -7.6 | 0 | 0 | 0 | 118.5 | ||||
| 165 | V | 31.5 | Very low | 33.4 | Very low | 114 Ų | 114 | 144 Ų | 144 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | 119.4 | 88 | 150.7 | -173.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 166 | T | 30.8 | Very low | 33.5 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | 46.2 | 115.3 | 96.9 | 7 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 167 | H | 34.7 | Very low | 33.3 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 88% | 0.884 | 78% | 0.781 | S | S | * | * | -164.8 | 116.6 | 127.6 | -97.2 | -70.6 | 0 | 0 | 0 | 110.5 | |||||
| 168 | H | 29.6 | Very low | 33.2 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | trans | -72 | 148.2 | 169.2 | -108.9 | -106.6 | 0 | 0 | 0 | 111 | D170 | H168-D170 IonicContact ND1-OD2 3.38Š| ||
| 169 | L | 33.7 | Very low | 32.4 | Very low | 174 Ų | 174 | 150 Ų | 150 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | -157.4 | 122.6 | 129.8 | -131.1 | 73.7 | 0 | 0 | 0 | 110.6 | |||||
| 170 | D | 32.3 | Very low | 32.7 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 64% | 0.642 | 78% | 0.78 | S | S | * | * | trans | -52.6 | 167.9 | 161.7 | -60.1 | -81.7 | 0 | 0 | 0 | 111.1 | H168 | H168-D170 IonicContact ND1-OD2 3.38Š| ||
| 171 | Q | 28.7 | Very low | 32.7 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | cis | -177.7 | 146.9 | 34.9 | -138.3 | 162.2 | -8.5 | 0 | 0 | 101.9 | ||||
| 172 | D | 28.9 | Very low | 32 | Very low | 143 Ų | 143 | 148 Ų | 148 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | 176.7 | 148 | 78.2 | -116.9 | -25.8 | 0 | 0 | 0 | 110.6 | |||||
| 173 | V | 31.5 | Very low | 32.4 | Very low | 119 Ų | 119 | 150 Ų | 150 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | -91.3 | 127.3 | 179.5 | 172.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 174 | V | 31.4 | Very low | 32.5 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -127.2 | 100.3 | 157.5 | -178 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 175 | R | 29 | Very low | 31.8 | Very low | 232 Ų | 232 | 151.1 Ų | 151.1 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | trans | -67.9 | 130.6 | 155 | -82.4 | 179.9 | 148.3 | 126.2 | -4 | 108.2 | ||||
| 176 | L | 30.7 | Very low | 32 | Very low | 172 Ų | 172 | 153.2 Ų | 153.2 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | trans | -124.9 | 124 | 155.6 | -164.2 | 66.1 | 0 | 0 | 0 | 109 | ||||
| 177 | D | 29 | Very low | 32.4 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | -84.4 | 156.9 | -177 | -139.8 | -30.5 | 0 | 0 | 0 | 110.9 | ||||
| 178 | Q | 31.3 | Very low | 32.7 | Very low | 160 Ų | 160 | 151.1 Ų | 151.1 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 48.4 | 116.7 | 158 | -79.9 | 166.6 | 3.1 | 0 | 0 | 120.8 | ||||
| 179 | D | 28.6 | Very low | 33.4 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | -148.9 | 114.3 | 111.5 | -128.6 | -13.6 | 0 | 0 | 0 | 111.9 | V181 | D179-V181 PolarHBondContact O-N 2.63Š| |||
| 180 | V | 35.6 | Very low | 34.1 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | trans | -82.2 | 93.8 | 173.5 | 168.6 | 0 | 0 | 0 | 0 | 107 | R182 | V180-R182 PolarHBondContact O-N 3.02Š| ||
| 181 | V | 32.2 | Very low | 35.1 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | trans | -82.4 | 100 | 163.7 | 177.2 | 0 | 0 | 0 | 0 | 107.8 | D179 L183 | D179-V181 PolarHBondContact O-N 2.63Å; V181-L183 PolarHBondContact O-N 3.27Å | ||
| 182 | R | 35.2 | Very low | 35.9 | Very low | 204 Ų | 204 | 145.5 Ų | 145.5 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -57.1 | 111.4 | 158.4 | -87.2 | -159.4 | 61.8 | 153.5 | -2.1 | 108.5 | V180 | V180-R182 PolarHBondContact O-N 3.02Š| ||
| 183 | L | 36.6 | Very low | 36.9 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -99.7 | 120.3 | 162.4 | -157 | 72.6 | 0 | 0 | 0 | 107.8 | V181 Q185 | V181-L183 PolarHBondContact O-N 3.27Å; L183-Q185 PolarHBondContact O-N 3.47Å | ||
| 184 | D | 31.5 | Very low | 37.2 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | trans | -52.5 | 127.7 | 173.6 | -107.9 | -37.8 | 0 | 0 | 0 | 110.6 | D186 | D184-D186 PolarHBondContact O-N 3.12Š| ||
| 185 | Q | 35.8 | Very low | 37.6 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -83 | 94.3 | 162.3 | -80.4 | 179.9 | 10.6 | 0 | 0 | 107.1 | L183 V187 | L183-Q185 PolarHBondContact O-N 3.47Å; Q185-V187 HydrophobicContact CB-CG2 4.29Å; Q185-V187 PolarHBondContact O-N 3.29Å; Q185-V187 VanDerWaalsContact O-N 3.1Å | ||
| 186 | D | 35.4 | Very low | 37.7 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | trans | -70.2 | 100.2 | 158.1 | -89.6 | -45.5 | 0 | 0 | 0 | 107.9 | D184 D188 | D184-D186 PolarHBondContact O-N 3.12Å; D186-D188 PolarHBondContact O-N 3.4Å | ||
| 187 | V | 38.6 | Very low | 38 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 62% | 0.624 | 75% | 0.75 | S | S | * | * | trans | -82.5 | 101.6 | 173.3 | -162.6 | 0 | 0 | 0 | 0 | 107.1 | Q185 V189 | Q185-V187 HydrophobicContact CB-CG2 4.29Å; Q185-V187 PolarHBondContact O-N 3.29Å; Q185-V187 VanDerWaalsContact O-N 3.1Å; V187-V189 HydrophobicContact CB-CG2 4.02Å; V187-V189 HydrophobicContact CG1-CG2 3.43Å; V187-V189 VanDerWaalsContact CG1-CG2 3.43Å; V187-V189 PolarHBondContact O-N 2.83Å | ||
| 188 | D | 42.1 | Very low | 38.2 | Very low | 158 Ų | 158 | 141 Ų | 141 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | -70.7 | 80.6 | 165.8 | -174 | 25.1 | 0 | 0 | 0 | 108.8 | D186 K190 | D186-D188 PolarHBondContact O-N 3.4Å; D188-K190 PolarHBondContact O-N 2.77Å; D188-K190 VanDerWaalsContact O-N 3.16Å | ||
| 189 | V | 42.3 | Very low | 38.2 | Very low | 107 Ų | 107 | 138 Ų | 138 | 65% | 0.648 | 75% | 0.75 | S | S | * | * | trans | -78 | 93.5 | 171.9 | -175.5 | 0 | 0 | 0 | 0 | 107.5 | V187 | V187-V189 HydrophobicContact CB-CG2 4.02Å; V187-V189 HydrophobicContact CG1-CG2 3.43Å; V187-V189 VanDerWaalsContact CG1-CG2 3.43Å; V187-V189 PolarHBondContact O-N 2.83Å | ||
| 190 | K | 48.9 | Very low | 38.2 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 78% | 0.778 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 123.5 | 162 | -172.3 | 173.5 | -177.1 | 174.8 | 0 | 108.3 | D188 | D188-K190 PolarHBondContact O-N 2.77Å; D188-K190 VanDerWaalsContact O-N 3.16Å |
| 191 | P | 52.9 | Low | 37.9 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 147.2 | 179.7 | 26.1 | -32.3 | 0 | 0 | 0 | 110.2 | ||
| 192 | P | 46.3 | Very low | 37.8 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 147.1 | 176.9 | 27.4 | -32.7 | 0 | 0 | 0 | 110.2 | D194 | P192-D194 PolarHBondContact O-N 2.69Š|
| 193 | P | 50.2 | Low | 37.5 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 125.8 | 175.1 | 27.7 | -31.4 | 0 | 0 | 0 | 110.2 | L195 | P193-L195 PolarHBondContact O-N 3.42Å; P193-L195 VanDerWaalsContact O-N 3.13Å |
| 194 | D | 37.8 | Very low | 37.1 | Very low | 155 Ų | 155 | 135 Ų | 135 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | trans | -64.5 | 107.6 | 170.7 | -75.6 | -35.9 | 0 | 0 | 0 | 109.8 | P192 T196 | P192-D194 PolarHBondContact O-N 2.69Å; D194-T196 PolarHBondContact O-N 3.05Å | ||
| 195 | L | 39.9 | Very low | 37.1 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 82% | 0.817 | 76% | 0.756 | S | S | * | * | trans | -85.9 | 92.9 | 166 | -66.9 | 178 | 0 | 0 | 0 | 108.4 | P193 I197 | P193-L195 PolarHBondContact O-N 3.42Å; P193-L195 VanDerWaalsContact O-N 3.13Å; L195-I197 PolarHBondContact O-N 3.07Å | ||
| 196 | T | 31.8 | Very low | 36.9 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | -66.5 | 99.8 | 165.1 | -45.9 | 0 | 0 | 0 | 0 | 108.8 | D194 L198 | D194-T196 PolarHBondContact O-N 3.05Å; T196-L198 HydrophobicContact CG2-CG 4.29Å; T196-L198 PolarHBondContact O-N 3.19Å; T196-L198 VanDerWaalsContact O-N 3.16Å | ||
| 197 | I | 35.7 | Very low | 36.5 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -73 | 98.3 | 165.7 | -61.1 | 168.3 | 0 | 0 | 0 | 107 | L195 S199 | L195-I197 PolarHBondContact O-N 3.07Å; I197-S199 PolarHBondContact O-N 2.99Å | ||
| 198 | L | 32.8 | Very low | 36 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -85 | 92 | 158.2 | -77.3 | 174.5 | 0 | 0 | 0 | 108.4 | T196 T200 | T196-L198 HydrophobicContact CG2-CG 4.29Å; T196-L198 PolarHBondContact O-N 3.19Å; T196-L198 VanDerWaalsContact O-N 3.16Å; L198-T200 PolarHBondContact O-N 3.4Å | ||
| 199 | S | 31.7 | Very low | 35.4 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | -66.2 | 116.5 | 156.3 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | I197 | I197-S199 PolarHBondContact O-N 2.99Š| ||
| 200 | T | 29.8 | Very low | 34.8 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | trans | -131.9 | 90.2 | 160.5 | -48.6 | 0 | 0 | 0 | 0 | 108.2 | L198 | L198-T200 PolarHBondContact O-N 3.4Š| ||
| 201 | R | 28.2 | Very low | 34 | Very low | 239 Ų | 239 | 126.3 Ų | 126.3 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -80.2 | 111.7 | 151.2 | -83 | -173.1 | 175.2 | -169.3 | -0.7 | 107.6 | ||||
| 202 | V | 30.3 | Very low | 33 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -138.7 | 113.6 | 145.3 | 176.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 203 | G | 28.6 | Very low | 32.5 | Very low | 64 Ų | 64 | 134.5 Ų | 134.5 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | trans | -79.7 | 163.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 204 | V | 28.9 | Very low | 31.7 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | 158.3 | 94.1 | 156 | 160.7 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 205 | V | 30 | Very low | 31.4 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | 48.7 | 110.1 | 95.4 | -175.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 206 | L | 33.6 | Very low | 31.2 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | 170 | 126.2 | 123.9 | -88.8 | 175.5 | 0 | 0 | 0 | 112.1 | |||||
| 207 | G | 26.6 | Very low | 31.2 | Very low | 84 Ų | 84 | 139.6 Ų | 139.6 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | 66.4 | 134.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 208 | G | 26.6 | Very low | 31.2 | Very low | 66 Ų | 66 | 139.4 Ų | 139.4 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | cis | 134.8 | 144.7 | 21.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 209 | E | 31.3 | Very low | 31 | Very low | 209 Ų | 209 | 135.9 Ų | 135.9 | 98% | 0.977 | 80% | 0.802 | S | S | * | * | trans | 81.9 | 126.4 | 172.2 | -48.4 | 174.4 | 173 | 0 | 0 | 115.1 | ||||
| 210 | G | 27.8 | Very low | 31 | Very low | 74 Ų | 74 | 136.3 Ų | 136.3 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | cis | 149.4 | 157.8 | 9.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 211 | A | 33.9 | Very low | 31.3 | Very low | 94 Ų | 94 | 135.9 Ų | 135.9 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | 87.1 | 92.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 212 | E | 31.9 | Very low | 31.5 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | 63.1 | 106.5 | 61.9 | -59.8 | -177.1 | 178.9 | 0 | 0 | 113.8 | |||||
| 213 | E | 35.9 | Very low | 31.6 | Very low | 204 Ų | 204 | 129.4 Ų | 129.4 | 95% | 0.953 | 79% | 0.789 | S | S | * | * | trans | -142.8 | 110.9 | 134.9 | -80.7 | -167.6 | 168.9 | 0 | 0 | 107.4 | ||||
| 214 | E | 32.3 | Very low | 31.9 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | trans | -77.2 | 146.5 | 166.8 | -72 | 171.6 | 147.7 | 0 | 0 | 109.8 | ||||
| 215 | D | 32.7 | Very low | 32.5 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -139 | 100.9 | 147.2 | -107.9 | -21.5 | 0 | 0 | 0 | 106.3 | ||||
| 216 | E | 34.5 | Very low | 32.6 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | trans | -89.6 | 136.5 | 162.1 | -64.9 | -170.1 | 138 | 0 | 0 | 108.3 | ||||
| 217 | D | 31.3 | Very low | 33.3 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -149.2 | 142 | 135.7 | -157.1 | 13 | 0 | 0 | 0 | 111.4 | ||||
| 218 | L | 35.5 | Very low | 33.6 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -109.2 | 159 | -156.7 | -71.6 | 161.3 | 0 | 0 | 0 | 111.8 | ||||
| 219 | G | 29.1 | Very low | 34.3 | Very low | 74 Ų | 74 | 139.6 Ų | 139.6 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 145 | 143.6 | 140.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 220 | S | 33.1 | Very low | 35 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | cis | -175.4 | 125 | -10.6 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 221 | V | 35.3 | Very low | 35.6 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 67% | 0.667 | 79% | 0.792 | S | S | * | * | trans | 54.9 | 119.7 | 134.5 | -169.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 222 | H | 32.2 | Very low | 36.2 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | 174.4 | 121.5 | 114.4 | -93.8 | 78.4 | 0 | 0 | 0 | 105.8 | |||||
| 223 | G | 32.1 | Very low | 36.4 | Very low | 59 Ų | 59 | 136.4 Ų | 136.4 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | cis | 98.2 | 94.1 | 33.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 224 | Y | 36 | Very low | 36.7 | Very low | 240 Ų | 240 | 130.9 Ų | 130.9 | 94% | 0.941 | 78% | 0.781 | S | S | * | * | trans | -161.4 | 130.3 | 145.5 | -90.5 | -71.4 | 0 | 0 | 0 | 110.6 | ||||
| 225 | D | 41.3 | Very low | 37.3 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -75.9 | 154.3 | 173.4 | -173.4 | 13 | 0 | 0 | 0 | 110.9 | ||||
| 226 | G | 32.5 | Very low | 37.7 | Very low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | 174.2 | 73.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 227 | S | 46.3 | Very low | 38.3 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -64.8 | 148.1 | 157.1 | -72.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 228 | L | 33 | Very low | 39.1 | Very low | 177 Ų | 177 | 125 Ų | 125 | 93% | 0.927 | 77% | 0.773 | S | S | * | * | trans | 167.2 | 121.8 | 132.9 | -83.2 | 178.3 | 0 | 0 | 0 | 110.5 | ||||
| 229 | S | 42.1 | Very low | 39.3 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -74.4 | 160.8 | 159.1 | -174.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 230 | P | 45.7 | Very low | 39.7 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | cis | -147.8 | 177.2 | 36.3 | 36.4 | -11.1 | 0 | 0 | 0 | 118.5 | ||||
| 231 | C | 40.3 | Very low | 39.9 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -52.1 | 164.4 | 174.1 | -41.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 232 | P | 46.8 | Very low | 39.8 | Very low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | -155.8 | 176.7 | 51.9 | 40 | -17.1 | 0 | 0 | 0 | 117.9 | |||||
| 233 | S | 36.8 | Very low | 40.5 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -157.4 | 139 | 140.2 | -169 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 234 | S | 41.5 | Very low | 41.1 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | trans | -123.2 | 141.4 | -166.8 | 166.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 235 | V | 44.3 | Very low | 41.6 | Very low | 141 Ų | 141 | 124 Ų | 124 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -131 | 110.4 | 153.8 | -173.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 236 | V | 41.6 | Very low | 41.7 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | -85.4 | 131.3 | 173.6 | 176 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 237 | L | 47.1 | Very low | 42.2 | Very low | 158 Ų | 158 | 130 Ų | 130 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -124.4 | 137.7 | 156.2 | -76.9 | 174 | 0 | 0 | 0 | 109.7 | ||||
| 238 | P | 49.2 | Very low | 41.8 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 143.1 | -156.7 | 30.5 | -35.6 | 0 | 0 | 0 | 114.4 | S240 | P238-S240 PolarHBondContact O-N 2.85Š|
| 239 | L | 39.1 | Very low | 42 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 120.9 | 163.5 | -68.8 | 163.2 | 0 | 0 | 0 | 109.1 | T241 | L239-T241 PolarHBondContact O-N 3.36Š|
| 240 | S | 36.8 | Very low | 42.3 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 120.8 | 172.9 | -177.3 | 0 | 0 | 0 | 0 | 110 | P238 | P238-S240 PolarHBondContact O-N 2.85Š|
| 241 | T | 37.2 | Very low | 42.3 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -88 | 151.3 | 172.9 | 48.1 | 0 | 0 | 0 | 0 | 112.1 | L239 | L239-T241 PolarHBondContact O-N 3.36Š|
| 242 | S | 34 | Very low | 43.2 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | 91.8 | 142.3 | 151.3 | -119.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 243 | P | 47.3 | Very low | 43 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | cis | -124.7 | 155.4 | 39.4 | 25.2 | -3.1 | 0 | 0 | 0 | 118 | ||||
| 244 | V | 45.1 | Very low | 43.7 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | -42.2 | 143.1 | 171.9 | 179.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 245 | P | 46 | Very low | 44 | Very low | 125 Ų | 125 | 146 Ų | 146 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 118.8 | 170.9 | 32.5 | -28.2 | 0 | 0 | 0 | 110.4 | ||
| 246 | L | 43.8 | Very low | 44.5 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 119.4 | 170.4 | -138.6 | 113.1 | 0 | 0 | 0 | 108.7 | R248 | L246-R248 PolarHBondContact O-N 3.38Š|
| 247 | Q | 42.6 | Very low | 45.2 | Very low | 185 Ų | 185 | 149.7 Ų | 149.7 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 125.2 | 174.1 | -83.8 | -176.5 | -32.1 | 0 | 0 | 112.9 | ||
| 248 | R | 36.7 | Very low | 45.7 | Very low | 210 Ų | 210 | 153 Ų | 153 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | 177.2 | 99.8 | 129.2 | -119.6 | 172.3 | 159.3 | 158.2 | -5.9 | 110.7 | L246 | L246-R248 PolarHBondContact O-N 3.38Š| |||
| 249 | D | 38.2 | Very low | 46.1 | Very low | 173 Ų | 173 | 152.9 Ų | 152.9 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -100.2 | 100.4 | 156.7 | -78.5 | -25.4 | 0 | 0 | 0 | 108.3 | ||||
| 250 | L | 47.8 | Very low | 47 | Very low | 124 Ų | 124 | 149.5 Ų | 149.5 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | trans | -97 | 118.4 | 160.1 | -81.5 | 162.6 | 0 | 0 | 0 | 106.8 | ||||
| 251 | Y | 46.5 | Very low | 48.2 | Very low | 219 Ų | 219 | 148.3 Ų | 148.3 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 91.1 | 142.4 | 170.3 | -73.5 | -88.3 | 0 | 0 | 0 | 119.8 | ||
| 252 | P | 59.7 | Low | 49.4 | Very low | 95 Ų | 95 | 147.1 Ų | 147.1 | 62% | 0.617 | 76% | 0.755 | S | S | * | * | trans | -105.6 | 155.1 | -153.8 | 39.6 | -30.3 | 0 | 0 | 0 | 111.7 | ||||
| 253 | H | 40.8 | Very low | 51 | Low | 174 Ų | 174 | 152.9 Ų | 152.9 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | -160.4 | 113.8 | 145.9 | -106.7 | 20.4 | 0 | 0 | 0 | 111.7 | H255 | H253-H255 PolarHBondContact O-N 2.94Š| ||
| 254 | D | 52.2 | Low | 52.3 | Low | 144 Ų | 144 | 151.6 Ų | 151.6 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | trans | -47.1 | 112.6 | 153 | -89.6 | -45.8 | 0 | 0 | 0 | 109.7 | ||||
| 255 | H | 47.3 | Very low | 54.1 | Low | 160 Ų | 160 | 152.9 Ų | 152.9 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | trans | -160.3 | 90.5 | 146.7 | -77.7 | -49.7 | 0 | 0 | 0 | 107.4 | H253 P257 | H253-H255 PolarHBondContact O-N 2.94Å; H255-P257 WeakPolarHBondContact O-CD 3.28Å | ||
| 256 | Y | 55.5 | Low | 56 | Low | 222 Ų | 222 | 151 Ų | 151 | 87% | 0.871 | 73% | 0.727 | S | S | * | * | trans | -60.2 | 115.9 | 158.9 | -84.5 | -89.1 | 0 | 0 | 0 | 107.2 | R258 | Y256-R258 PolarHBondContact O-N 3.36Š| ||
| 257 | P | 56.1 | Low | 58 | Low | 111 Ų | 111 | 148.8 Ų | 148.8 | 72% | 0.721 | 72% | 0.715 | S | S | * | * | trans | -69.9 | 107 | 163 | 5.2 | 12 | 0 | 0 | 0 | 104.7 | H255 C259 | H255-P257 WeakPolarHBondContact O-CD 3.28Å; P257-C259 PolarHBondContact O-N 2.92Å | ||
| 258 | R | 57.4 | Low | 60.3 | Low | 226 Ų | 226 | 146.4 Ų | 146.4 | 85% | 0.853 | 70% | 0.704 | S | S | * | * | trans | -39.8 | 108.4 | 159.4 | -172.5 | -178.3 | -171.9 | -146.7 | 3.5 | 106.6 | Y256 D260 | Y256-R258 PolarHBondContact O-N 3.36Å; R258-D260 PolarHBondContact O-N 3.32Å | ||
| 259 | C | 58.2 | Low | 62.9 | Low | 111 Ų | 111 | 140.9 Ų | 140.9 | 75% | 0.75 | 69% | 0.69 | S | S | * | * | trans | -59.2 | 106 | 178.4 | -89.9 | 0 | 0 | 0 | 0 | 107.2 | P257 P261 | P257-C259 PolarHBondContact O-N 2.92Å; C259-P261 WeakPolarHBondContact O-CD 3.34Å | ||
| 260 | D | 58.2 | Low | 65.5 | Low | 97 Ų | 97 | 135 Ų | 135 | 52% | 0.519 | 67% | 0.666 | S | S | . | * | trans | -63.5 | 120.1 | 177.7 | -114.7 | -38.3 | 0 | 0 | 0 | 107.9 | R258 D262 R263 | R258-D260 PolarHBondContact O-N 3.32Å; D260-D262 PolarHBondContact O-N 3.46Å; D260-R263 HydrophobicContact CB-CB 4.49Å; D260-R263 PolarHBondContact O-N 3.37Å | ||
| 261 | P | 61.6 | Low | 67.7 | Low | 102 Ų | 102 | 136.5 Ų | 136.5 | 66% | 0.662 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -57.6 | -22.8 | 177.3 | 20.4 | -29.4 | 0 | 0 | 0 | 111.9 | C259 R263 R265 | C259-P261 WeakPolarHBondContact O-CD 3.34Å; P261-R263 VanDerWaalsContact C-N 3.34Å; P261-R263 PolarHBondContact O-N 2.77Å; P261-R265 PolarHBondContact O-N 3.5Å |
| 262 | D | 62.9 | Low | 70 | Confident | 98 Ų | 98 | 130.6 Ų | 130.6 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69.8 | -24.1 | 174.8 | -90.6 | -29.3 | 0 | 0 | 0 | 114.6 | D260 R265 | D260-D262 PolarHBondContact O-N 3.46Å; D262-R265 IonicContact OD1-CZ 2.69Å; D262-R265 IonicContact OD1-NE 2.65Å; D262-R265 PolarHBondContact OD1-NE 3.32Å; D262-R265 IonicContact OD1-NH2 3.24Å; D262-R265 PolarHBondContact OD1-NH2 2.78Å |
| 263 | R | 66.4 | Low | 71.6 | Confident | 224 Ų | 224 | 132.3 Ų | 132.3 | 85% | 0.845 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -78.2 | -24.7 | 180 | -156.4 | 176.4 | -178.2 | -170.7 | 0.5 | 112.6 | D260 P261 | D260-R263 HydrophobicContact CB-CB 4.49Å; D260-R263 PolarHBondContact O-N 3.37Å; P261-R263 VanDerWaalsContact C-N 3.34Å; P261-R263 PolarHBondContact O-N 2.77Å |
| 264 | L | 76 | Confident | 74.3 | Confident | 100 Ų | 100 | 129.8 Ų | 129.8 | 52% | 0.524 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -91 | -15.4 | 177.5 | -63.2 | 176.2 | 0 | 0 | 0 | 113 | L267 Q268 | L264-L267 PolarHBondContact O-N 2.9Å; L264-Q268 PolarHBondContact O-N 3.06Å |
| 265 | R | 81.9 | Confident | 76.4 | Confident | 141 Ų | 141 | 128.8 Ų | 128.8 | 53% | 0.532 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -54.1 | -45.6 | 179.9 | -167.4 | -141.3 | -65.2 | -169.9 | -2 | 113.1 | P261 D262 L267 Q268 L269 | P261-R265 PolarHBondContact O-N 3.5Å; D262-R265 IonicContact OD1-CZ 2.69Å; D262-R265 IonicContact OD1-NE 2.65Å; D262-R265 PolarHBondContact OD1-NE 3.32Å; D262-R265 IonicContact OD1-NH2 3.24Å; D262-R265 PolarHBondContact OD1-NH2 2.78Å; R265-L267 VanDerWaalsContact C-N 3.35Å; R265-L267 PolarHBondContact O-N 3.36Å; R265-Q268 PolarHBondContact O-N 3.36Å; R265-L269 HydrophobicContact CG-CD1 4.21Å; R265-L269 WeakPolarHBondContact O-CG 3.45Å; R265-L269 PolarHBondContact O-N 2.93Å |
| 266 | P | 85.3 | Confident | 78.7 | Confident | 85 Ų | 85 | 126.1 Ų | 126.1 | 55% | 0.552 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.3 | -38.5 | 179 | -21.8 | 34.9 | 0 | 0 | 0 | 112.9 | L269 A270 | P266-L269 PolarHBondContact O-N 3.16Å; P266-A270 WeakPolarHBondContact O-CB 3.26Å; P266-A270 PolarHBondContact O-N 3.39Å |
| 267 | L | 87.7 | Confident | 80.7 | Confident | 124 Ų | 124 | 119.4 Ų | 119.4 | 65% | 0.649 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.6 | -38.3 | 178.4 | -177 | 64.7 | 0 | 0 | 0 | 111.5 | L264 R265 A270 K271 | L264-L267 PolarHBondContact O-N 2.9Å; R265-L267 VanDerWaalsContact C-N 3.35Å; R265-L267 PolarHBondContact O-N 3.36Å; L267-A270 PolarHBondContact O-N 2.91Å; L267-K271 PolarHBondContact O-N 3.27Å |
| 268 | Q | 90.3 | Very high | 82.7 | Confident | 134 Ų | 134 | 118 Ų | 118 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.7 | -44.5 | 175.9 | -176.5 | 175.2 | -3.8 | 0 | 0 | 111.7 | L264 R265 A270 K271 E272 | L264-Q268 PolarHBondContact O-N 3.06Å; R265-Q268 PolarHBondContact O-N 3.36Å; Q268-A270 VanDerWaalsContact C-N 3.34Å; Q268-A270 PolarHBondContact O-N 3.26Å; Q268-K271 WeakPolarHBondContact O-CB 3.4Å; Q268-K271 PolarHBondContact O-N 3.41Å; Q268-E272 PolarHBondContact O-N 3.19Å |
| 269 | L | 92.1 | Very high | 84.6 | Confident | 95 Ų | 95 | 109.3 Ų | 109.3 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.9 | -41.8 | 175.6 | -70.6 | 171 | 0 | 0 | 0 | 111.6 | R265 P266 K271 E272 E273 | R265-L269 HydrophobicContact CG-CD1 4.21Å; R265-L269 WeakPolarHBondContact O-CG 3.45Å; R265-L269 PolarHBondContact O-N 2.93Å; P266-L269 PolarHBondContact O-N 3.16Å; L269-K271 VanDerWaalsContact C-N 3.32Å; L269-K271 PolarHBondContact O-N 3.43Å; L269-E272 PolarHBondContact O-N 3.04Å; L269-E273 WeakPolarHBondContact O-CB 3.36Å; L269-E273 PolarHBondContact O-N 3.46Å |
| 270 | A | 91.7 | Very high | 86.4 | Confident | 50 Ų | 50 | 108.5 Ų | 108.5 | 41% | 0.413 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P266 L267 Q268 H274 | P266-A270 WeakPolarHBondContact O-CB 3.26Å; P266-A270 PolarHBondContact O-N 3.39Å; L267-A270 PolarHBondContact O-N 2.91Å; Q268-A270 VanDerWaalsContact C-N 3.34Å; Q268-A270 PolarHBondContact O-N 3.26Å; A270-H274 WeakPolarHBondContact O-CB 3.24Å; A270-H274 PolarHBondContact O-N 3.08Å |
| 271 | K | 94.2 | Very high | 88.3 | Confident | 155 Ų | 155 | 109.6 Ų | 109.6 | 67% | 0.674 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.4 | -43.3 | 174.8 | -175.3 | -177.1 | 175 | -173.9 | 0 | 111.5 | L267 Q268 L269 H274 E275 | L267-K271 PolarHBondContact O-N 3.27Å; Q268-K271 WeakPolarHBondContact O-CB 3.4Å; Q268-K271 PolarHBondContact O-N 3.41Å; L269-K271 VanDerWaalsContact C-N 3.32Å; L269-K271 PolarHBondContact O-N 3.43Å; K271-H274 PolarHBondContact O-N 3.48Å; K271-E275 PolarHBondContact O-N 2.97Å |
| 272 | E | 94.3 | Very high | 90.1 | Very high | 94 Ų | 94 | 112.6 Ų | 112.6 | 44% | 0.439 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 177.4 | -174 | -178.7 | 172.2 | 0 | 0 | 111.6 | Q268 L269 H274 E275 Q276 | Q268-E272 PolarHBondContact O-N 3.19Å; L269-E272 PolarHBondContact O-N 3.04Å; E272-H274 VanDerWaalsContact C-N 3.32Å; E272-H274 PolarHBondContact O-N 3.41Å; E272-E275 PolarHBondContact O-N 3.47Å; E272-Q276 WeakPolarHBondContact O-CG 3.44Å; E272-Q276 PolarHBondContact O-N 3.49Å; E272-Q276 PolarHBondContact OE1-NE2 3.36Å |
| 273 | E | 93.1 | Very high | 91.7 | Very high | 132 Ų | 132 | 114.1 Ų | 114.1 | 62% | 0.617 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.4 | -46.8 | 175.2 | -176.6 | -176.3 | 178.8 | 0 | 0 | 110.9 | L269 E275 Q276 V277 | L269-E273 WeakPolarHBondContact O-CB 3.36Å; L269-E273 PolarHBondContact O-N 3.46Å; E273-E275 VanDerWaalsContact C-N 3.33Å; E273-E275 PolarHBondContact O-N 3.46Å; E273-Q276 PolarHBondContact O-N 3.12Å; E273-V277 WeakPolarHBondContact O-CG2 3.46Å; E273-V277 PolarHBondContact O-N 3.46Å |
| 274 | H | 97.2 | Very high | 93.2 | Very high | 120 Ų | 120 | 108.1 Ų | 108.1 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.7 | -42.9 | 177.1 | -177.9 | 67.7 | 0 | 0 | 0 | 112.2 | A270 K271 E272 Q276 V277 M278 | A270-H274 WeakPolarHBondContact O-CB 3.24Å; A270-H274 PolarHBondContact O-N 3.08Å; K271-H274 PolarHBondContact O-N 3.48Å; E272-H274 VanDerWaalsContact C-N 3.32Å; E272-H274 PolarHBondContact O-N 3.41Å; H274-Q276 VanDerWaalsContact C-N 3.35Å; H274-Q276 PolarHBondContact O-N 2.93Å; H274-V277 PolarHBondContact O-N 2.85Å; H274-M278 WeakPolarHBondContact O-CG 3.48Å; H274-M278 PolarHBondContact O-N 2.82Å |
| 275 | E | 96.7 | Very high | 94.2 | Very high | 124 Ų | 124 | 105.1 Ų | 105.1 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -39.9 | 176.6 | -175.9 | 173.2 | -176.9 | 0 | 0 | 112.4 | K271 E272 E273 M278 T279 | K271-E275 PolarHBondContact O-N 2.97Å; E272-E275 PolarHBondContact O-N 3.47Å; E273-E275 VanDerWaalsContact C-N 3.33Å; E273-E275 PolarHBondContact O-N 3.46Å; E275-M278 PolarHBondContact O-N 3.23Å; E275-T279 WeakPolarHBondContact O-CB 3.49Å; E275-T279 PolarHBondContact O-N 2.88Å; E275-T279 PolarHBondContact O-OG1 3.25Å |
| 276 | Q | 96.5 | Very high | 94.9 | Very high | 103 Ų | 103 | 103.1 Ų | 103.1 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 174.6 | -70.8 | -178.3 | 26.1 | 0 | 0 | 111.5 | E272 E273 H274 M278 T279 N280 | E272-Q276 WeakPolarHBondContact O-CG 3.44Å; E272-Q276 PolarHBondContact O-N 3.49Å; E272-Q276 PolarHBondContact OE1-NE2 3.36Å; E273-Q276 PolarHBondContact O-N 3.12Å; H274-Q276 VanDerWaalsContact C-N 3.35Å; H274-Q276 PolarHBondContact O-N 2.93Å; Q276-M278 PolarHBondContact O-N 3.15Å; Q276-T279 PolarHBondContact O-N 3.09Å; Q276-N280 WeakPolarHBondContact O-CB 3.42Å; Q276-N280 VanDerWaalsContact O-CG 3.3Å; Q276-N280 PolarHBondContact O-N 2.65Å; Q276-N280 PolarHBondContact O-ND2 3.32Å |
| 277 | V | 97 | Very high | 95.5 | Very high | 81 Ų | 81 | 105 Ų | 105 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 175.7 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | E273 H274 T279 N280 H281 | E273-V277 WeakPolarHBondContact O-CG2 3.46Å; E273-V277 PolarHBondContact O-N 3.46Å; H274-V277 PolarHBondContact O-N 2.85Å; V277-T279 VanDerWaalsContact C-N 3.31Å; V277-T279 PolarHBondContact O-N 2.91Å; V277-N280 PolarHBondContact O-N 3.1Å; V277-H281 PolarHBondContact O-N 3.19Å |
| 278 | M | 97.4 | Very high | 96 | Very high | 81 Ų | 81 | 103.5 Ų | 103.5 | 40% | 0.399 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -39 | 177.6 | -68.5 | -56.9 | -68.3 | 0 | 0 | 111.9 | H274 E275 Q276 H281 R282 | H274-M278 WeakPolarHBondContact O-CG 3.48Å; H274-M278 PolarHBondContact O-N 2.82Å; E275-M278 PolarHBondContact O-N 3.23Å; Q276-M278 PolarHBondContact O-N 3.15Å; M278-H281 PolarHBondContact O-N 2.66Å; M278-R282 WeakPolarHBondContact O-CG 3.35Å; M278-R282 PolarHBondContact O-N 3.22Å; M278-R282 VanDerWaalsContact O-N 3.09Å |
| 279 | T | 97.3 | Very high | 96.4 | Very high | 45 Ų | 45 | 101.9 Ų | 101.9 | 28% | 0.276 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 175.6 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | E275 Q276 V277 H281 R282 K283 | E275-T279 WeakPolarHBondContact O-CB 3.49Å; E275-T279 PolarHBondContact O-N 2.88Å; E275-T279 PolarHBondContact O-OG1 3.25Å; Q276-T279 PolarHBondContact O-N 3.09Å; V277-T279 VanDerWaalsContact C-N 3.31Å; V277-T279 PolarHBondContact O-N 2.91Å; T279-H281 VanDerWaalsContact C-N 3.32Å; T279-H281 PolarHBondContact O-N 3.38Å; T279-R282 PolarHBondContact O-N 2.84Å; T279-K283 HydrophobicContact CG2-CD 4.31Å; T279-K283 WeakPolarHBondContact O-CG 3.35Å; T279-K283 PolarHBondContact O-N 3.27Å |
| 280 | N | 97.6 | Very high | 96.6 | Very high | 93 Ų | 93 | 103.3 Ų | 103.3 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 176.2 | -75.7 | -18.6 | 0 | 0 | 0 | 111.5 | Q276 V277 R282 K283 M284 | Q276-N280 WeakPolarHBondContact O-CB 3.42Å; Q276-N280 VanDerWaalsContact O-CG 3.3Å; Q276-N280 PolarHBondContact O-N 2.65Å; Q276-N280 PolarHBondContact O-ND2 3.32Å; V277-N280 PolarHBondContact O-N 3.1Å; N280-R282 VanDerWaalsContact C-N 3.34Å; N280-R282 PolarHBondContact O-N 3.09Å; N280-K283 PolarHBondContact O-N 3.46Å; N280-M284 WeakPolarHBondContact O-CB 3.46Å; N280-M284 PolarHBondContact O-N 3.05Å |
| 281 | H | 97.5 | Very high | 96.9 | Very high | 120 Ų | 120 | 106.5 Ų | 106.5 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.3 | -43.5 | 174.9 | -169.9 | 80.2 | 0 | 0 | 0 | 111.8 | V277 M278 T279 M284 G285 | V277-H281 PolarHBondContact O-N 3.19Å; M278-H281 PolarHBondContact O-N 2.66Å; T279-H281 VanDerWaalsContact C-N 3.32Å; T279-H281 PolarHBondContact O-N 3.38Å; H281-M284 PolarHBondContact O-N 3.5Å; H281-G285 PolarHBondContact O-N 2.92Å |
| 282 | R | 98.2 | Very high | 97.1 | Very high | 166 Ų | 166 | 106.5 Ų | 106.5 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.3 | -46.4 | 174.2 | -67.4 | 173.9 | -165.8 | 151.8 | 3.2 | 112.1 | M278 T279 N280 M284 G285 V286 | M278-R282 WeakPolarHBondContact O-CG 3.35Å; M278-R282 PolarHBondContact O-N 3.22Å; M278-R282 VanDerWaalsContact O-N 3.09Å; T279-R282 PolarHBondContact O-N 2.84Å; N280-R282 VanDerWaalsContact C-N 3.34Å; N280-R282 PolarHBondContact O-N 3.09Å; R282-M284 VanDerWaalsContact C-N 3.31Å; R282-M284 PolarHBondContact O-N 3.13Å; R282-G285 PolarHBondContact O-N 2.85Å; R282-G285 VanDerWaalsContact O-N 3.13Å; R282-V286 PolarHBondContact O-N 3.02Å |
| 283 | K | 98.2 | Very high | 97.3 | Very high | 130 Ų | 130 | 106.1 Ų | 106.1 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60 | -41.5 | 177.8 | -73.3 | 175.5 | 179.3 | 174.7 | 0 | 111.9 | T279 N280 G285 V286 Y287 | T279-K283 HydrophobicContact CG2-CD 4.31Å; T279-K283 WeakPolarHBondContact O-CG 3.35Å; T279-K283 PolarHBondContact O-N 3.27Å; N280-K283 PolarHBondContact O-N 3.46Å; K283-G285 VanDerWaalsContact C-N 3.32Å; K283-G285 PolarHBondContact O-N 2.9Å; K283-V286 PolarHBondContact O-N 3.42Å; K283-Y287 WeakPolarHBondContact O-CB 3.45Å; K283-Y287 PolarHBondContact O-N 3.18Å |
| 284 | M | 97.1 | Very high | 97.5 | Very high | 97 Ų | 97 | 101.5 Ų | 101.5 | 48% | 0.478 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 175.1 | -178.9 | 179.5 | 64.2 | 0 | 0 | 111.3 | N280 H281 R282 Y287 L288 | N280-M284 WeakPolarHBondContact O-CB 3.46Å; N280-M284 PolarHBondContact O-N 3.05Å; H281-M284 PolarHBondContact O-N 3.5Å; R282-M284 VanDerWaalsContact C-N 3.31Å; R282-M284 PolarHBondContact O-N 3.13Å; M284-Y287 PolarHBondContact O-N 2.94Å; M284-L288 HydrophobicContact CG-CD1 4.32Å; M284-L288 WeakPolarHBondContact O-CG 3.47Å; M284-L288 PolarHBondContact O-N 2.86Å |
| 285 | G | 97.5 | Very high | 97.5 | Very high | 37 Ų | 37 | 101.3 Ų | 101.3 | 38% | 0.381 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.3 | -50.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H281 R282 K283 Y287 L288 E289 | H281-G285 PolarHBondContact O-N 2.92Å; R282-G285 PolarHBondContact O-N 2.85Å; R282-G285 VanDerWaalsContact O-N 3.13Å; K283-G285 VanDerWaalsContact C-N 3.32Å; K283-G285 PolarHBondContact O-N 2.9Å; G285-Y287 VanDerWaalsContact C-N 3.34Å; G285-Y287 PolarHBondContact O-N 3.01Å; G285-L288 PolarHBondContact O-N 3.21Å; G285-E289 PolarHBondContact O-N 2.88Å |
| 286 | V | 97.3 | Very high | 97.6 | Very high | 99 Ų | 99 | 101.6 Ų | 101.6 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.2 | -43 | 177.8 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | R282 K283 L288 E289 E290 | R282-V286 PolarHBondContact O-N 3.02Å; K283-V286 PolarHBondContact O-N 3.42Å; V286-L288 VanDerWaalsContact C-N 3.34Å; V286-L288 PolarHBondContact O-N 3.48Å; V286-E289 WeakPolarHBondContact O-CB 3.38Å; V286-E289 PolarHBondContact O-N 3.45Å; V286-E290 WeakPolarHBondContact O-CB 3.49Å; V286-E290 PolarHBondContact O-N 2.85Å |
| 287 | Y | 97.8 | Very high | 97.6 | Very high | 125 Ų | 125 | 102.5 Ų | 102.5 | 49% | 0.49 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 177.6 | 172.6 | -97.5 | 0 | 0 | 0 | 112.3 | K283 M284 G285 E290 K291 | K283-Y287 WeakPolarHBondContact O-CB 3.45Å; K283-Y287 PolarHBondContact O-N 3.18Å; M284-Y287 PolarHBondContact O-N 2.94Å; G285-Y287 VanDerWaalsContact C-N 3.34Å; G285-Y287 PolarHBondContact O-N 3.01Å; Y287-E290 PolarHBondContact O-N 3.41Å; Y287-K291 HydrophobicContact CD1-CG 4.35Å; Y287-K291 HydrophobicContact CE1-CG 3.94Å; Y287-K291 HydrophobicContact CE2-CD 4.36Å; Y287-K291 HydrophobicContact CE2-CG 4.14Å; Y287-K291 VanDerWaalsContact O-CG 3.32Å; Y287-K291 WeakPolarHBondContact O-CG 3.45Å; Y287-K291 PolarHBondContact O-N 3.21Å; Y287-K291 WeakPolarHBondContact OH-CE 3.48Å |
| 288 | L | 98 | Very high | 97.7 | Very high | 93 Ų | 93 | 104.3 Ų | 104.3 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 178.6 | -69.2 | 173.9 | 0 | 0 | 0 | 112 | M284 G285 V286 K291 R292 | M284-L288 HydrophobicContact CG-CD1 4.32Å; M284-L288 WeakPolarHBondContact O-CG 3.47Å; M284-L288 PolarHBondContact O-N 2.86Å; G285-L288 PolarHBondContact O-N 3.21Å; V286-L288 VanDerWaalsContact C-N 3.34Å; V286-L288 PolarHBondContact O-N 3.48Å; L288-K291 PolarHBondContact O-N 2.94Å; L288-R292 WeakPolarHBondContact O-CB 3.35Å; L288-R292 PolarHBondContact O-N 2.91Å |
| 289 | E | 97.2 | Very high | 97.7 | Very high | 99 Ų | 99 | 106.6 Ų | 106.6 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.1 | -51.5 | 172.4 | -163.2 | 90.3 | -111.7 | 0 | 0 | 110.5 | G285 V286 K291 R292 E293 | G285-E289 PolarHBondContact O-N 2.88Å; V286-E289 WeakPolarHBondContact O-CB 3.38Å; V286-E289 PolarHBondContact O-N 3.45Å; E289-K291 VanDerWaalsContact C-N 3.3Å; E289-K291 PolarHBondContact O-N 3.36Å; E289-R292 WeakPolarHBondContact O-CB 3.34Å; E289-R292 PolarHBondContact O-N 2.88Å; E289-R292 IonicContact OE1-NH1 3.41Å; E289-R292 PolarHBondContact OE1-NH1 3.39Å; E289-E293 PolarHBondContact O-N 3.05Å |
| 290 | E | 97 | Very high | 97.7 | Very high | 125 Ų | 125 | 109 Ų | 109 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.9 | -40.5 | 179.8 | -172.5 | -176.4 | -176.9 | 0 | 0 | 111.7 | V286 Y287 E293 G294 | V286-E290 WeakPolarHBondContact O-CB 3.49Å; V286-E290 PolarHBondContact O-N 2.85Å; Y287-E290 PolarHBondContact O-N 3.41Å; E290-E293 PolarHBondContact O-N 3.32Å; E290-G294 PolarHBondContact O-N 2.98Å |
| 291 | K | 98.2 | Very high | 97.8 | Very high | 118 Ų | 118 | 109.9 Ų | 109.9 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 174.7 | -72.5 | -57.4 | -176.9 | -169.2 | 0 | 112.5 | Y287 L288 E289 L295 | Y287-K291 HydrophobicContact CD1-CG 4.35Å; Y287-K291 HydrophobicContact CE1-CG 3.94Å; Y287-K291 HydrophobicContact CE2-CD 4.36Å; Y287-K291 HydrophobicContact CE2-CG 4.14Å; Y287-K291 VanDerWaalsContact O-CG 3.32Å; Y287-K291 WeakPolarHBondContact O-CG 3.45Å; Y287-K291 PolarHBondContact O-N 3.21Å; Y287-K291 WeakPolarHBondContact OH-CE 3.48Å; L288-K291 PolarHBondContact O-N 2.94Å; E289-K291 VanDerWaalsContact C-N 3.3Å; E289-K291 PolarHBondContact O-N 3.36Å; K291-L295 PolarHBondContact O-N 3.07Å; K291-L295 VanDerWaalsContact O-N 3.1Å |
| 292 | R | 98.3 | Very high | 97.8 | Very high | 155 Ų | 155 | 109.5 Ų | 109.5 | 59% | 0.585 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.8 | -48.6 | 176.6 | -170.4 | -170 | -58.2 | 132.6 | 0.2 | 111.1 | L288 E289 G294 L295 K296 | L288-R292 WeakPolarHBondContact O-CB 3.35Å; L288-R292 PolarHBondContact O-N 2.91Å; E289-R292 WeakPolarHBondContact O-CB 3.34Å; E289-R292 PolarHBondContact O-N 2.88Å; E289-R292 IonicContact OE1-NH1 3.41Å; E289-R292 PolarHBondContact OE1-NH1 3.39Å; R292-G294 VanDerWaalsContact C-N 3.34Å; R292-G294 PolarHBondContact O-N 3.22Å; R292-L295 PolarHBondContact O-N 3.27Å; R292-K296 PolarHBondContact O-N 3.01Å |
| 293 | E | 97.9 | Very high | 97.8 | Very high | 86 Ų | 86 | 106 Ų | 106 | 40% | 0.402 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 177.8 | -66.7 | -166.6 | 152.4 | 0 | 0 | 112.2 | E289 E290 L295 K296 R297 | E289-E293 PolarHBondContact O-N 3.05Å; E290-E293 PolarHBondContact O-N 3.32Å; E293-L295 VanDerWaalsContact C-N 3.31Å; E293-L295 PolarHBondContact O-N 3.26Å; E293-K296 WeakPolarHBondContact O-CB 3.41Å; E293-K296 PolarHBondContact O-N 3.39Å; E293-R297 VanDerWaalsContact CB-NH1 3.28Å; E293-R297 WeakPolarHBondContact O-CG 3.39Å; E293-R297 PolarHBondContact O-N 3.4Å; E293-R297 IonicContact OE2-CZ 3.55Å; E293-R297 IonicContact OE2-NH1 3.54Å; E293-R297 IonicContact OE2-NH2 2.72Å; E293-R297 PolarHBondContact OE2-NH2 3.37Å |
| 294 | G | 97.3 | Very high | 97.8 | Very high | 34 Ų | 34 | 105.8 Ų | 105.8 | 35% | 0.351 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E290 R292 K298 | E290-G294 PolarHBondContact O-N 2.98Å; R292-G294 VanDerWaalsContact C-N 3.34Å; R292-G294 PolarHBondContact O-N 3.22Å; G294-K298 WeakPolarHBondContact O-CB 3.32Å; G294-K298 PolarHBondContact O-N 2.73Å |
| 295 | L | 97.3 | Very high | 97.8 | Very high | 117 Ų | 117 | 105.7 Ų | 105.7 | 61% | 0.613 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | 174.3 | -172.7 | 64.3 | 0 | 0 | 0 | 111.7 | K291 R292 E293 K298 Q299 | K291-L295 PolarHBondContact O-N 3.07Å; K291-L295 VanDerWaalsContact O-N 3.1Å; R292-L295 PolarHBondContact O-N 3.27Å; E293-L295 VanDerWaalsContact C-N 3.31Å; E293-L295 PolarHBondContact O-N 3.26Å; L295-K298 WeakPolarHBondContact O-CB 3.34Å; L295-K298 PolarHBondContact O-N 2.94Å; L295-Q299 PolarHBondContact O-N 3.02Å |
| 296 | K | 98.3 | Very high | 97.9 | Very high | 129 Ų | 129 | 108.7 Ų | 108.7 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.2 | -49.5 | 176 | -171.6 | -175.8 | 176.4 | -170.3 | 0 | 111.8 | R292 E293 K298 Q299 E300 | R292-K296 PolarHBondContact O-N 3.01Å; E293-K296 WeakPolarHBondContact O-CB 3.41Å; E293-K296 PolarHBondContact O-N 3.39Å; K296-K298 VanDerWaalsContact C-N 3.29Å; K296-K298 PolarHBondContact O-N 3.48Å; K296-Q299 WeakPolarHBondContact O-CB 3.3Å; K296-Q299 PolarHBondContact O-N 2.96Å; K296-Q299 VanDerWaalsContact O-N 3.13Å; K296-E300 VanDerWaalsContact CE-OE1 3.23Å; K296-E300 WeakPolarHBondContact CE-OE1 3.2Å; K296-E300 WeakPolarHBondContact O-CG 3.4Å; K296-E300 PolarHBondContact O-N 2.93Å |
| 297 | R | 98 | Very high | 97.9 | Very high | 122 Ų | 122 | 111.8 Ų | 111.8 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.6 | -40.5 | 176.1 | -69.7 | 179.8 | -166.4 | 97.8 | 4.7 | 112.1 | E293 E300 L301 | E293-R297 VanDerWaalsContact CB-NH1 3.28Å; E293-R297 WeakPolarHBondContact O-CG 3.39Å; E293-R297 PolarHBondContact O-N 3.4Å; E293-R297 IonicContact OE2-CZ 3.55Å; E293-R297 IonicContact OE2-NH1 3.54Å; E293-R297 IonicContact OE2-NH2 2.72Å; E293-R297 PolarHBondContact OE2-NH2 3.37Å; R297-E300 PolarHBondContact O-N 3.03Å; R297-L301 WeakPolarHBondContact O-CG 3.41Å; R297-L301 PolarHBondContact O-N 2.89Å |
| 298 | K | 97.8 | Very high | 97.9 | Very high | 119 Ų | 119 | 108.3 Ų | 108.3 | 52% | 0.517 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 176.2 | -175.4 | -172.8 | 174.1 | -161.3 | 0 | 111.3 | G294 L295 K296 E300 L301 E302 | G294-K298 WeakPolarHBondContact O-CB 3.32Å; G294-K298 PolarHBondContact O-N 2.73Å; L295-K298 WeakPolarHBondContact O-CB 3.34Å; L295-K298 PolarHBondContact O-N 2.94Å; K296-K298 VanDerWaalsContact C-N 3.29Å; K296-K298 PolarHBondContact O-N 3.48Å; K298-E300 VanDerWaalsContact C-N 3.34Å; K298-L301 PolarHBondContact O-N 3.41Å; K298-E302 WeakPolarHBondContact CE-OE1 3.35Å; K298-E302 IonicContact NZ-OE1 3.1Å; K298-E302 WeakPolarHBondContact O-CG 3.44Å; K298-E302 PolarHBondContact O-N 3.04Å |
| 299 | Q | 97.9 | Very high | 97.9 | Very high | 130 Ų | 130 | 110.1 Ų | 110.1 | 61% | 0.607 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -42 | 178 | -174.8 | 178.5 | 1.3 | 0 | 0 | 111.7 | L295 K296 L301 E302 E303 | L295-Q299 PolarHBondContact O-N 3.02Å; K296-Q299 WeakPolarHBondContact O-CB 3.3Å; K296-Q299 PolarHBondContact O-N 2.96Å; K296-Q299 VanDerWaalsContact O-N 3.13Å; Q299-L301 PolarHBondContact O-N 3.4Å; Q299-E302 PolarHBondContact O-N 3.45Å; Q299-E303 PolarHBondContact O-N 3.49Å |
| 300 | E | 98.1 | Very high | 97.9 | Very high | 95 Ų | 95 | 109.3 Ų | 109.3 | 44% | 0.444 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 175.8 | -71.6 | 166.9 | -179.8 | 0 | 0 | 111.6 | K296 R297 K298 E302 E303 E304 | K296-E300 VanDerWaalsContact CE-OE1 3.23Å; K296-E300 WeakPolarHBondContact CE-OE1 3.2Å; K296-E300 WeakPolarHBondContact O-CG 3.4Å; K296-E300 PolarHBondContact O-N 2.93Å; R297-E300 PolarHBondContact O-N 3.03Å; K298-E300 VanDerWaalsContact C-N 3.34Å; E300-E302 PolarHBondContact O-N 2.97Å; E300-E303 PolarHBondContact O-N 3.5Å; E300-E304 PolarHBondContact O-N 3.03Å |
| 301 | L | 98.4 | Very high | 98 | Very high | 112 Ų | 112 | 110.3 Ų | 110.3 | 59% | 0.586 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.4 | -37.5 | 176.4 | -70.1 | 173.8 | 0 | 0 | 0 | 112.8 | R297 K298 Q299 E303 E304 L305 | R297-L301 WeakPolarHBondContact O-CG 3.41Å; R297-L301 PolarHBondContact O-N 2.89Å; K298-L301 PolarHBondContact O-N 3.41Å; Q299-L301 PolarHBondContact O-N 3.4Å; L301-E303 VanDerWaalsContact C-N 3.34Å; L301-E304 PolarHBondContact O-N 3.23Å; L301-L305 VanDerWaalsContact O-CB 3.22Å; L301-L305 WeakPolarHBondContact O-CB 3.46Å; L301-L305 PolarHBondContact O-N 3.41Å |
| 302 | E | 97.6 | Very high | 97.9 | Very high | 111 Ų | 111 | 108.2 Ų | 108.2 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 174.9 | -75.4 | 178.8 | -179.4 | 0 | 0 | 111.5 | K298 Q299 E300 L306 | K298-E302 WeakPolarHBondContact CE-OE1 3.35Å; K298-E302 IonicContact NZ-OE1 3.1Å; K298-E302 WeakPolarHBondContact O-CG 3.44Å; K298-E302 PolarHBondContact O-N 3.04Å; Q299-E302 PolarHBondContact O-N 3.45Å; E300-E302 PolarHBondContact O-N 2.97Å; E302-L306 WeakPolarHBondContact O-CB 3.36Å; E302-L306 PolarHBondContact O-N 3.04Å |
| 303 | E | 98 | Very high | 97.8 | Very high | 92 Ų | 92 | 106 Ų | 106 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67 | -44.4 | 175.3 | -167.5 | -172.8 | 155.6 | 0 | 0 | 111.8 | Q299 E300 L301 L305 L306 R307 | Q299-E303 PolarHBondContact O-N 3.49Å; E300-E303 PolarHBondContact O-N 3.5Å; L301-E303 VanDerWaalsContact C-N 3.34Å; E303-L305 VanDerWaalsContact C-N 3.34Å; E303-L305 PolarHBondContact O-N 2.84Å; E303-L306 WeakPolarHBondContact O-CB 3.38Å; E303-L306 PolarHBondContact O-N 3.32Å; E303-R307 WeakPolarHBondContact O-CG 3.35Å; E303-R307 PolarHBondContact O-N 3.17Å; E303-R307 IonicContact OE1-CZ 3.21Å; E303-R307 IonicContact OE1-NE 2.98Å; E303-R307 PolarHBondContact OE1-NE 3.47Å; E303-R307 IonicContact OE1-NH2 2.66Å; E303-R307 PolarHBondContact OE1-NH2 2.88Å |
| 304 | E | 98.1 | Very high | 97.7 | Very high | 127 Ų | 127 | 109 Ų | 109 | 59% | 0.593 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.6 | -43.4 | 176.2 | -171.8 | 179.5 | -179.7 | 0 | 0 | 111.4 | E300 L301 L306 R307 A308 | E300-E304 PolarHBondContact O-N 3.03Å; L301-E304 PolarHBondContact O-N 3.23Å; E304-L306 VanDerWaalsContact C-N 3.3Å; E304-L306 PolarHBondContact O-N 3.21Å; E304-R307 PolarHBondContact O-N 3.49Å; E304-A308 WeakPolarHBondContact O-CB 3.3Å; E304-A308 PolarHBondContact O-N 3.21Å |
| 305 | L | 98.3 | Very high | 97.6 | Very high | 95 Ų | 95 | 112.8 Ų | 112.8 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 174.9 | -178.7 | 153.4 | 0 | 0 | 0 | 111.3 | L301 E303 A308 K309 | L301-L305 VanDerWaalsContact O-CB 3.22Å; L301-L305 WeakPolarHBondContact O-CB 3.46Å; L301-L305 PolarHBondContact O-N 3.41Å; E303-L305 VanDerWaalsContact C-N 3.34Å; E303-L305 PolarHBondContact O-N 2.84Å; L305-A308 PolarHBondContact O-N 3.09Å; L305-K309 HydrophobicContact CD2-CD 3.75Å; L305-K309 HydrophobicContact CD2-CG 4.3Å; L305-K309 WeakPolarHBondContact O-CG 3.32Å; L305-K309 PolarHBondContact O-N 3.48Å |
| 306 | L | 98.4 | Very high | 97.4 | Very high | 99 Ų | 99 | 112.2 Ų | 112.2 | 52% | 0.518 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 175.3 | -178 | 60.6 | 0 | 0 | 0 | 111.5 | E302 E303 E304 A308 K309 I310 | E302-L306 WeakPolarHBondContact O-CB 3.36Å; E302-L306 PolarHBondContact O-N 3.04Å; E303-L306 WeakPolarHBondContact O-CB 3.38Å; E303-L306 PolarHBondContact O-N 3.32Å; E304-L306 VanDerWaalsContact C-N 3.3Å; E304-L306 PolarHBondContact O-N 3.21Å; L306-A308 VanDerWaalsContact C-N 3.32Å; L306-A308 PolarHBondContact O-N 3.05Å; L306-K309 PolarHBondContact O-N 2.83Å; L306-I310 HydrophobicContact CD1-CD1 4.37Å; L306-I310 HydrophobicContact CG-CD1 4.11Å; L306-I310 VanDerWaalsContact O-CG1 3.32Å; L306-I310 WeakPolarHBondContact O-CG1 3.39Å; L306-I310 PolarHBondContact O-N 2.95Å |
| 307 | R | 98.3 | Very high | 97.2 | Very high | 165 Ų | 165 | 108.5 Ų | 108.5 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.4 | -42.6 | 175.5 | -71 | 172.1 | 178.6 | -133.3 | 4.4 | 111.4 | E303 E304 I310 K311 | E303-R307 WeakPolarHBondContact O-CG 3.35Å; E303-R307 PolarHBondContact O-N 3.17Å; E303-R307 IonicContact OE1-CZ 3.21Å; E303-R307 IonicContact OE1-NE 2.98Å; E303-R307 PolarHBondContact OE1-NE 3.47Å; E303-R307 IonicContact OE1-NH2 2.66Å; E303-R307 PolarHBondContact OE1-NH2 2.88Å; E304-R307 PolarHBondContact O-N 3.49Å; R307-I310 PolarHBondContact O-N 3.16Å; R307-K311 PolarHBondContact O-N 2.99Å |
| 308 | A | 98.1 | Very high | 96.9 | Very high | 51 Ų | 51 | 104.5 Ų | 104.5 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E304 L305 L306 I310 K311 V312 | E304-A308 WeakPolarHBondContact O-CB 3.3Å; E304-A308 PolarHBondContact O-N 3.21Å; L305-A308 PolarHBondContact O-N 3.09Å; L306-A308 VanDerWaalsContact C-N 3.32Å; L306-A308 PolarHBondContact O-N 3.05Å; A308-I310 PolarHBondContact O-N 3.39Å; A308-K311 WeakPolarHBondContact O-CB 3.2Å; A308-K311 PolarHBondContact O-N 3.06Å; A308-K311 VanDerWaalsContact O-N 3.15Å; A308-V312 WeakPolarHBondContact O-CG2 3.18Å; A308-V312 PolarHBondContact O-N 3.1Å |
| 309 | K | 97.7 | Very high | 96.7 | Very high | 132 Ų | 132 | 103.6 Ų | 103.6 | 57% | 0.574 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.8 | -45.5 | 174.2 | -78.5 | -179.6 | 176.4 | 173.9 | 0 | 111.9 | L305 L306 K311 V312 E313 | L305-K309 HydrophobicContact CD2-CD 3.75Å; L305-K309 HydrophobicContact CD2-CG 4.3Å; L305-K309 WeakPolarHBondContact O-CG 3.32Å; L305-K309 PolarHBondContact O-N 3.48Å; L306-K309 PolarHBondContact O-N 2.83Å; K309-K311 VanDerWaalsContact C-N 3.3Å; K309-K311 PolarHBondContact O-N 3.47Å; K309-V312 PolarHBondContact O-N 3.37Å; K309-E313 PolarHBondContact O-N 2.84Å |
| 310 | I | 98.1 | Very high | 96.4 | Very high | 82 Ų | 82 | 103.2 Ų | 103.2 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 175.8 | -68.3 | 166 | 0 | 0 | 0 | 110.4 | L306 R307 A308 E313 K314 | L306-I310 HydrophobicContact CD1-CD1 4.37Å; L306-I310 HydrophobicContact CG-CD1 4.11Å; L306-I310 VanDerWaalsContact O-CG1 3.32Å; L306-I310 WeakPolarHBondContact O-CG1 3.39Å; L306-I310 PolarHBondContact O-N 2.95Å; R307-I310 PolarHBondContact O-N 3.16Å; A308-I310 PolarHBondContact O-N 3.39Å; I310-E313 PolarHBondContact O-N 3.31Å; I310-K314 HydrophobicContact CG2-CD 4.22Å; I310-K314 HydrophobicContact CG2-CG 4.4Å; I310-K314 WeakPolarHBondContact O-CB 3.43Å; I310-K314 WeakPolarHBondContact O-CG 3.09Å; I310-K314 PolarHBondContact O-N 2.89Å |
| 311 | K | 98.1 | Very high | 96.1 | Very high | 145 Ų | 145 | 109.2 Ų | 109.2 | 63% | 0.63 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.2 | -44.7 | 177.4 | -171.2 | 176.1 | -177.9 | 177.6 | 0 | 111.9 | R307 A308 K309 E313 K314 L315 | R307-K311 PolarHBondContact O-N 2.99Å; A308-K311 WeakPolarHBondContact O-CB 3.2Å; A308-K311 PolarHBondContact O-N 3.06Å; A308-K311 VanDerWaalsContact O-N 3.15Å; K309-K311 VanDerWaalsContact C-N 3.3Å; K309-K311 PolarHBondContact O-N 3.47Å; K311-E313 VanDerWaalsContact C-N 3.33Å; K311-E313 PolarHBondContact O-N 3.26Å; K311-K314 PolarHBondContact O-N 3.42Å; K311-L315 WeakPolarHBondContact O-CG 3.42Å; K311-L315 PolarHBondContact O-N 2.82Å |
| 312 | V | 96.6 | Very high | 95.8 | Very high | 74 Ų | 74 | 110.7 Ų | 110.7 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 175.6 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | A308 K309 L315 R316 | A308-V312 WeakPolarHBondContact O-CG2 3.18Å; A308-V312 PolarHBondContact O-N 3.1Å; K309-V312 PolarHBondContact O-N 3.37Å; V312-L315 PolarHBondContact O-N 3.07Å; V312-R316 HydrophobicContact CG1-CG 4.48Å; V312-R316 WeakPolarHBondContact O-CG 3.46Å; V312-R316 PolarHBondContact O-N 2.81Å |
| 313 | E | 95.8 | Very high | 95.4 | Very high | 108 Ų | 108 | 108.8 Ų | 108.8 | 51% | 0.505 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.5 | -38.2 | -179.6 | -160.5 | 57.9 | -149.7 | 0 | 0 | 112 | K309 I310 K311 L315 R316 A317 | K309-E313 PolarHBondContact O-N 2.84Å; I310-E313 PolarHBondContact O-N 3.31Å; K311-E313 VanDerWaalsContact C-N 3.33Å; K311-E313 PolarHBondContact O-N 3.26Å; E313-L315 VanDerWaalsContact C-N 3.33Å; E313-L315 PolarHBondContact O-N 2.73Å; E313-R316 PolarHBondContact O-N 3.34Å; E313-R316 IonicContact OE2-NH1 3.67Å; E313-A317 WeakPolarHBondContact O-CB 3.08Å; E313-A317 PolarHBondContact O-N 3.38Å |
| 314 | K | 96 | Very high | 94.9 | Very high | 150 Ų | 150 | 108.3 Ų | 108.3 | 65% | 0.652 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.6 | -43.3 | 171.2 | -76.8 | -179.3 | 177.4 | -175.6 | 0 | 111.9 | I310 K311 A317 A318 | I310-K314 HydrophobicContact CG2-CD 4.22Å; I310-K314 HydrophobicContact CG2-CG 4.4Å; I310-K314 WeakPolarHBondContact O-CB 3.43Å; I310-K314 WeakPolarHBondContact O-CG 3.09Å; I310-K314 PolarHBondContact O-N 2.89Å; K311-K314 PolarHBondContact O-N 3.42Å; K314-A317 PolarHBondContact O-N 3.36Å; K314-A318 WeakPolarHBondContact O-CB 3.19Å; K314-A318 PolarHBondContact O-N 3.15Å |
| 315 | L | 95.3 | Very high | 94.2 | Very high | 114 Ų | 114 | 106.9 Ų | 106.9 | 60% | 0.597 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.6 | -39.9 | 176.6 | -70.6 | 173.6 | 0 | 0 | 0 | 111.8 | K311 V312 E313 A318 R319 | K311-L315 WeakPolarHBondContact O-CG 3.42Å; K311-L315 PolarHBondContact O-N 2.82Å; V312-L315 PolarHBondContact O-N 3.07Å; E313-L315 VanDerWaalsContact C-N 3.33Å; E313-L315 PolarHBondContact O-N 2.73Å; L315-A318 PolarHBondContact O-N 3.24Å; L315-R319 VanDerWaalsContact O-CB 3.25Å; L315-R319 WeakPolarHBondContact O-CB 3.46Å; L315-R319 PolarHBondContact O-N 3.48Å |
| 316 | R | 92.9 | Very high | 93.4 | Very high | 105 Ų | 105 | 107.2 Ų | 107.2 | 40% | 0.396 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 173.4 | -76.6 | 176.5 | 169.4 | -176.6 | -5.8 | 111.6 | V312 E313 R319 L320 L326 | V312-R316 HydrophobicContact CG1-CG 4.48Å; V312-R316 WeakPolarHBondContact O-CG 3.46Å; V312-R316 PolarHBondContact O-N 2.81Å; E313-R316 PolarHBondContact O-N 3.34Å; E313-R316 IonicContact OE2-NH1 3.67Å; R316-R319 PolarHBondContact O-N 2.79Å; R316-L320 PolarHBondContact O-N 3.34Å; R316-L326 HydrophobicContact CB-CD2 4.15Å; R316-L326 HydrophobicContact CG-CD2 4.17Å |
| 317 | A | 93.1 | Very high | 92.1 | Very high | 51 Ų | 51 | 106.3 Ų | 106.3 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E313 K314 L320 R321 | E313-A317 WeakPolarHBondContact O-CB 3.08Å; E313-A317 PolarHBondContact O-N 3.38Å; K314-A317 PolarHBondContact O-N 3.36Å; A317-L320 PolarHBondContact O-N 3.24Å; A317-R321 WeakPolarHBondContact O-CG 3.24Å; A317-R321 PolarHBondContact O-N 3.42Å |
| 318 | A | 93.4 | Very high | 90.3 | Very high | 38 Ų | 38 | 110.1 Ų | 110.1 | 31% | 0.314 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.3 | -45 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K314 L315 L320 R321 H322 | K314-A318 WeakPolarHBondContact O-CB 3.19Å; K314-A318 PolarHBondContact O-N 3.15Å; L315-A318 PolarHBondContact O-N 3.24Å; A318-L320 VanDerWaalsContact C-N 3.35Å; A318-L320 PolarHBondContact O-N 2.93Å; A318-R321 WeakPolarHBondContact O-CB 3.42Å; A318-R321 PolarHBondContact O-N 3.36Å; A318-H322 PolarHBondContact O-CD2 2.83Å; A318-H322 PolarHBondContact O-N 3.08Å |
| 319 | R | 92.4 | Very high | 90 | Very high | 100 Ų | 100 | 113.1 Ų | 113.1 | 38% | 0.377 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.6 | -41.7 | 179 | -169.5 | 172.6 | 172.8 | 102.8 | -0.4 | 112.3 | L315 R316 H322 G323 L324 P325 | L315-R319 VanDerWaalsContact O-CB 3.25Å; L315-R319 WeakPolarHBondContact O-CB 3.46Å; L315-R319 PolarHBondContact O-N 3.48Å; R316-R319 PolarHBondContact O-N 2.79Å; R319-H322 CarbonylContact O-C 3.51Å; R319-H322 PolarHBondContact O-N 3.33Å; R319-G323 PolarHBondContact O-N 2.8Å; R319-L324 HydrophobicContact CG-CB 3.4Å; R319-L324 VanDerWaalsContact CG-CB 3.4Å; R319-L324 HydrophobicContact CG-CD1 4.1Å; R319-L324 HydrophobicContact CG-CG 4.4Å; R319-L324 PolarHBondContact O-N 2.95Å; R319-P325 PolarHBondContact NE-O 3.06Å; R319-P325 PolarHBondContact NH2-O 2.64Å; R319-P325 VanDerWaalsContact NH2-O 3.08Å |
| 320 | L | 92 | Very high | 89.5 | Confident | 121 Ų | 121 | 112.1 Ų | 112.1 | 63% | 0.634 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.6 | -41.6 | 174.6 | -171.7 | 67.9 | 0 | 0 | 0 | 111.8 | R316 A317 A318 H322 G323 | R316-L320 PolarHBondContact O-N 3.34Å; A317-L320 PolarHBondContact O-N 3.24Å; A318-L320 VanDerWaalsContact C-N 3.35Å; A318-L320 PolarHBondContact O-N 2.93Å; L320-H322 PolarHBondContact O-N 2.84Å; L320-G323 PolarHBondContact O-N 3Å |
| 321 | R | 91.6 | Very high | 89.1 | Confident | 221 Ų | 221 | 113.7 Ų | 113.7 | 83% | 0.834 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.7 | -30.3 | 173.9 | -74.7 | -179.5 | 60.7 | -167.7 | -4 | 113.1 | A317 A318 G323 | A317-R321 WeakPolarHBondContact O-CG 3.24Å; A317-R321 PolarHBondContact O-N 3.42Å; A318-R321 WeakPolarHBondContact O-CB 3.42Å; A318-R321 PolarHBondContact O-N 3.36Å; R321-G323 VanDerWaalsContact C-N 3.32Å |
| 322 | H | 92.3 | Very high | 88.5 | Confident | 144 Ų | 144 | 111.9 Ų | 111.9 | 67% | 0.667 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 7.6 | 175.2 | -66.2 | -62.7 | 0 | 0 | 0 | 113.6 | A318 R319 L320 L324 | A318-H322 PolarHBondContact O-CD2 2.83Å; A318-H322 PolarHBondContact O-N 3.08Å; R319-H322 CarbonylContact O-C 3.51Å; R319-H322 PolarHBondContact O-N 3.33Å; L320-H322 PolarHBondContact O-N 2.84Å; H322-L324 VanDerWaalsContact C-N 3.25Å; H322-L324 HydrophobicContact CB-CD1 4.43Å; H322-L324 PolarHBondContact O-N 3.12Å |
| 323 | G | 89.3 | Confident | 88 | Confident | 70 Ų | 70 | 114.3 Ų | 114.3 | 72% | 0.722 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.2 | 15.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R319 L320 R321 | R319-G323 PolarHBondContact O-N 2.8Å; L320-G323 PolarHBondContact O-N 3Å; R321-G323 VanDerWaalsContact C-N 3.32Å |
| 324 | L | 87.9 | Confident | 87.5 | Confident | 83 Ų | 83 | 114.7 Ų | 114.7 | 44% | 0.435 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -89.4 | 142.2 | -178.1 | -69.3 | 172.1 | 0 | 0 | 0 | 111.1 | R319 H322 | R319-L324 HydrophobicContact CG-CB 3.4Å; R319-L324 VanDerWaalsContact CG-CB 3.4Å; R319-L324 HydrophobicContact CG-CD1 4.1Å; R319-L324 HydrophobicContact CG-CG 4.4Å; R319-L324 PolarHBondContact O-N 2.95Å; H322-L324 VanDerWaalsContact C-N 3.25Å; H322-L324 HydrophobicContact CB-CD1 4.43Å; H322-L324 PolarHBondContact O-N 3.12Å |
| 325 | P | 83.6 | Confident | 86.9 | Confident | 97 Ų | 97 | 112.1 Ų | 112.1 | 63% | 0.63 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 144.7 | -177.4 | 27.6 | -34.4 | 0 | 0 | 0 | 112.1 | R319 | R319-P325 PolarHBondContact NE-O 3.06Å; R319-P325 PolarHBondContact NH2-O 2.64Å; R319-P325 VanDerWaalsContact NH2-O 3.08Å |
| 326 | L | 80.6 | Confident | 86.3 | Confident | 102 Ų | 102 | 112 Ų | 112 | 53% | 0.534 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -69 | 135.4 | 178.6 | -67.3 | 173.4 | 0 | 0 | 0 | 111 | R316 L328 | R316-L326 HydrophobicContact CB-CD2 4.15Å; R316-L326 HydrophobicContact CG-CD2 4.17Å; L326-L328 PolarHBondContact O-N 3.34Å |
| 327 | P | 71.9 | Confident | 85.7 | Confident | 80 Ų | 80 | 112.6 Ų | 112.6 | 52% | 0.519 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -67.5 | 131.4 | 171.7 | 27 | -30.7 | 0 | 0 | 0 | 110 | ||
| 328 | L | 60.8 | Low | 85 | Confident | 244 Ų | 244 | 118.2 Ų | 118.2 | 100% | 1.277 | 63% | 0.631 | S | S | * | * | trans | -63.6 | 0 | 177.5 | -80.1 | 162.1 | 0 | 0 | 0 | 112.3 | L326 | L326-L328 PolarHBondContact O-N 3.34Š|
Retrieved 328 of 328 residues in 213.9 ms
(Link to these results)