| 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 | 56 | Low | 78.8 | Confident | 204 Ų | 204 | 104.4 Ų | 104.4 | 100% | 1.005 | 53% | 0.533 | S | S | * | . | 0 | 127.5 | 0 | -79.7 | -158.1 | -83.7 | 0 | 0 | 108.3 | |||||
| 2 | T | 78.3 | Confident | 78.8 | Confident | 97 Ų | 97 | 108.8 Ų | 108.8 | 60% | 0.595 | 55% | 0.55 | S | S | * | * | trans | -76.4 | 151.4 | 175.2 | 52.4 | 0 | 0 | 0 | 0 | 110 | A4 A5 Y6 | T2-A4 PolarHBondContact O-N 3.36Å; T2-A5 WeakPolarHBondContact O-CB 3.45Å; T2-A5 PolarHBondContact O-N 3.3Å; T2-A5 WeakPolarHBondContact OG1-CB 3.34Å; T2-A5 PolarHBondContact OG1-N 3.18Å; T2-Y6 PolarHBondContact O-N 3.48Å; T2-Y6 VanDerWaalsContact O-N 3.12Å | ||
| 3 | L | 77.8 | Confident | 78.6 | Confident | 148 Ų | 148 | 108.2 Ų | 108.2 | 78% | 0.775 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -56.7 | -34 | 177.3 | -148.5 | 162.5 | 0 | 0 | 0 | 111 | Y6 K7 | L3-Y6 PolarHBondContact O-N 3.21Å; L3-K7 PolarHBondContact O-N 2.9Å |
| 4 | A | 81 | Confident | 78.5 | Confident | 69 Ų | 69 | 108.9 Ų | 108.9 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.1 | -46.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T2 Y6 K7 E8 | T2-A4 PolarHBondContact O-N 3.36Å; A4-Y6 VanDerWaalsContact C-N 3.32Å; A4-Y6 PolarHBondContact O-N 3.29Å; A4-K7 PolarHBondContact O-N 3.13Å; A4-E8 PolarHBondContact O-N 2.79Å; A4-E8 VanDerWaalsContact O-N 3.11Å |
| 5 | A | 82.8 | Confident | 78.3 | Confident | 43 Ų | 43 | 108.5 Ų | 108.5 | 36% | 0.355 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.8 | -33.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T2 K9 | T2-A5 WeakPolarHBondContact O-CB 3.45Å; T2-A5 PolarHBondContact O-N 3.3Å; T2-A5 WeakPolarHBondContact OG1-CB 3.34Å; T2-A5 PolarHBondContact OG1-N 3.18Å; A5-K9 PolarHBondContact O-N 3.28Å; A5-K9 VanDerWaalsContact O-N 3.15Å |
| 6 | Y | 82.4 | Confident | 78.1 | Confident | 124 Ų | 124 | 103.1 Ų | 103.1 | 49% | 0.486 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.1 | -43.3 | 173.9 | -178.6 | -99.7 | 0 | 0 | 0 | 111.9 | T2 L3 A4 E8 K9 M10 | T2-Y6 PolarHBondContact O-N 3.48Å; T2-Y6 VanDerWaalsContact O-N 3.12Å; L3-Y6 PolarHBondContact O-N 3.21Å; A4-Y6 VanDerWaalsContact C-N 3.32Å; A4-Y6 PolarHBondContact O-N 3.29Å; Y6-E8 VanDerWaalsContact C-N 3.31Å; Y6-E8 PolarHBondContact O-N 3.04Å; Y6-K9 PolarHBondContact O-N 3.43Å; Y6-M10 HydrophobicContact CD1-CG 4.06Å; Y6-M10 HydrophobicContact CE1-CE 4.19Å; Y6-M10 HydrophobicContact CE1-CG 3.69Å; Y6-M10 HydrophobicContact CE1-SD 4.23Å; Y6-M10 HydrophobicContact CE2-CG 4.28Å; Y6-M10 HydrophobicContact CE2-SD 4.2Å; Y6-M10 WeakPolarHBondContact O-CG 3.34Å; Y6-M10 PolarHBondContact O-N 3.02Å; Y6-M10 WeakPolarHBondContact OH-CE 3.27Å |
| 7 | K | 82.2 | Confident | 77.5 | Confident | 79 Ų | 79 | 101.2 Ų | 101.2 | 34% | 0.343 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 177.2 | -168.3 | -179.2 | -178.2 | -179.6 | 0 | 111.6 | L3 A4 M10 K11 F23 | L3-K7 PolarHBondContact O-N 2.9Å; A4-K7 PolarHBondContact O-N 3.13Å; K7-M10 PolarHBondContact O-N 3.4Å; K7-K11 WeakPolarHBondContact O-CG 3.34Å; K7-K11 PolarHBondContact O-N 3.01Å; K7-F23 HydrophobicContact CG-CD1 3.82Å; K7-F23 HydrophobicContact CG-CE1 4.22Å |
| 8 | E | 81.3 | Confident | 77.2 | Confident | 101 Ų | 101 | 103.1 Ų | 103.1 | 47% | 0.472 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 176 | -71.4 | -57.8 | 122.9 | 0 | 0 | 112 | A4 Y6 M10 K11 | A4-E8 PolarHBondContact O-N 2.79Å; A4-E8 VanDerWaalsContact O-N 3.11Å; Y6-E8 VanDerWaalsContact C-N 3.31Å; Y6-E8 PolarHBondContact O-N 3.04Å; E8-M10 VanDerWaalsContact C-N 3.29Å; E8-M10 PolarHBondContact O-N 3.45Å; E8-K11 WeakPolarHBondContact O-CB 3.42Å; E8-K11 PolarHBondContact O-N 3.01Å; E8-K11 VanDerWaalsContact O-N 3.16Å; E8-K11 IonicContact OE1-NZ 2.74Å; E8-K11 PolarHBondContact OE1-NZ 3.47Å |
| 9 | K | 82.2 | Confident | 76.9 | Confident | 151 Ų | 151 | 106.5 Ų | 106.5 | 66% | 0.657 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.6 | -33.8 | 175.4 | -88.6 | -146.8 | 173.4 | -167.8 | 0 | 114.1 | A5 Y6 K11 E12 | A5-K9 PolarHBondContact O-N 3.28Å; A5-K9 VanDerWaalsContact O-N 3.15Å; Y6-K9 PolarHBondContact O-N 3.43Å; K9-K11 VanDerWaalsContact C-N 3.31Å; K9-E12 PolarHBondContact O-N 3.1Å |
| 10 | M | 82 | Confident | 76.5 | Confident | 54 Ų | 54 | 103.1 Ų | 103.1 | 27% | 0.266 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.8 | -30.3 | 178.6 | -67.9 | -67.4 | -94.2 | 0 | 0 | 111.9 | Y6 K7 E8 E12 L13 V16 F23 | Y6-M10 HydrophobicContact CD1-CG 4.06Å; Y6-M10 HydrophobicContact CE1-CE 4.19Å; Y6-M10 HydrophobicContact CE1-CG 3.69Å; Y6-M10 HydrophobicContact CE1-SD 4.23Å; Y6-M10 HydrophobicContact CE2-CG 4.28Å; Y6-M10 HydrophobicContact CE2-SD 4.2Å; Y6-M10 WeakPolarHBondContact O-CG 3.34Å; Y6-M10 PolarHBondContact O-N 3.02Å; Y6-M10 WeakPolarHBondContact OH-CE 3.27Å; K7-M10 PolarHBondContact O-N 3.4Å; E8-M10 VanDerWaalsContact C-N 3.29Å; E8-M10 PolarHBondContact O-N 3.45Å; M10-E12 PolarHBondContact O-N 2.86Å; M10-L13 PolarHBondContact O-N 3.34Å; M10-L13 HydrophobicContact SD-CD1 4.29Å; M10-V16 WeakPolarHBondContact O-CB 3.48Å; M10-V16 WeakPolarHBondContact O-CG1 3.48Å; M10-V16 WeakPolarHBondContact O-CG2 3.28Å; M10-F23 HydrophobicContact CB-CD1 4.03Å; M10-F23 HydrophobicContact CB-CE1 3.89Å; M10-F23 HydrophobicContact CB-CZ 4.48Å; M10-F23 HydrophobicContact CG-CE1 4.21Å |
| 11 | K | 80.8 | Confident | 76.3 | Confident | 78 Ų | 78 | 102.9 Ų | 102.9 | 34% | 0.339 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.4 | -24.6 | 175.6 | -69.4 | 172.8 | 179.4 | 174.5 | 0 | 113.4 | K7 E8 K9 L13 F23 | K7-K11 WeakPolarHBondContact O-CG 3.34Å; K7-K11 PolarHBondContact O-N 3.01Å; E8-K11 WeakPolarHBondContact O-CB 3.42Å; E8-K11 PolarHBondContact O-N 3.01Å; E8-K11 VanDerWaalsContact O-N 3.16Å; E8-K11 IonicContact OE1-NZ 2.74Å; E8-K11 PolarHBondContact OE1-NZ 3.47Å; K9-K11 VanDerWaalsContact C-N 3.31Å; K11-L13 VanDerWaalsContact C-N 3.34Å; K11-F23 WeakPolarHBondContact CE-O 3.43Å |
| 12 | E | 79.2 | Confident | 77.2 | Confident | 158 Ų | 158 | 97.3 Ų | 97.3 | 74% | 0.738 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -12.8 | 179.9 | -63.1 | -71.6 | 160.7 | 0 | 0 | 113.6 | K9 M10 | K9-E12 PolarHBondContact O-N 3.1Å; M10-E12 PolarHBondContact O-N 2.86Å |
| 13 | L | 75.8 | Confident | 76.7 | Confident | 101 Ų | 101 | 94.9 Ų | 94.9 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -75.6 | 130.9 | 176.7 | -81.9 | 100.9 | 0 | 0 | 0 | 110.8 | M10 K11 L15 V16 | M10-L13 PolarHBondContact O-N 3.34Å; M10-L13 HydrophobicContact SD-CD1 4.29Å; K11-L13 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.04Å; L13-V16 WeakPolarHBondContact O-CG1 3.39Å; L13-V16 PolarHBondContact O-N 3Å |
| 14 | P | 77.4 | Confident | 76 | Confident | 117 Ų | 117 | 92.6 Ų | 92.6 | 76% | 0.76 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 139.9 | 167.9 | -21.3 | 30.8 | 0 | 0 | 0 | 110.3 | V16 | P14-V16 VanDerWaalsContact C-N 3.29Å; P14-V16 PolarHBondContact O-N 3.45Å |
| 15 | L | 75.2 | Confident | 75 | Confident | 104 Ų | 104 | 92.8 Ų | 92.8 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 1.8 | 178.5 | -50.8 | 166 | 0 | 0 | 0 | 116.7 | L13 S17 L18 F19 | L13-L15 PolarHBondContact O-N 3.04Å; L15-S17 PolarHBondContact O-N 2.9Å; L15-S17 VanDerWaalsContact O-N 3.13Å; L15-L18 HydrophobicContact CB-CB 4.48Å; L15-L18 HydrophobicContact CD2-CD2 4.44Å; L15-L18 WeakPolarHBondContact O-CA 2.89Å; L15-L18 VanDerWaalsContact O-CB 3.26Å; L15-L18 WeakPolarHBondContact O-CB 3.43Å; L15-L18 PolarHBondContact O-N 3.19Å; L15-F19 HydrophobicContact CB-CD2 4.24Å; L15-F19 HydrophobicContact CB-CE2 3.73Å; L15-F19 WeakPolarHBondContact O-CD2 3.37Å; L15-F19 PolarHBondContact O-N 3.07Å |
| 16 | V | 75.3 | Confident | 73.7 | Confident | 21 Ų | 21 | 96.5 Ų | 96.5 | 13% | 0.127 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -57.4 | -31.4 | 176 | 71.5 | 0 | 0 | 0 | 0 | 112.6 | M10 L13 P14 L18 F19 C20 F23 | M10-V16 WeakPolarHBondContact O-CB 3.48Å; M10-V16 WeakPolarHBondContact O-CG1 3.48Å; M10-V16 WeakPolarHBondContact O-CG2 3.28Å; L13-V16 WeakPolarHBondContact O-CG1 3.39Å; L13-V16 PolarHBondContact O-N 3Å; P14-V16 VanDerWaalsContact C-N 3.29Å; P14-V16 PolarHBondContact O-N 3.45Å; V16-L18 PolarHBondContact O-N 2.91Å; V16-F19 PolarHBondContact O-N 3.4Å; V16-C20 PolarHBondContact O-N 3.48Å; V16-C20 VanDerWaalsContact O-N 3.16Å; V16-F23 HydrophobicContact CG2-CD2 4.44Å |
| 17 | S | 68.3 | Low | 72.2 | Confident | 71 Ų | 71 | 96.5 Ų | 96.5 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -26.6 | 172.8 | 58.1 | 0 | 0 | 0 | 0 | 113.7 | L15 L24 | L15-S17 PolarHBondContact O-N 2.9Å; L15-S17 VanDerWaalsContact O-N 3.13Å; S17-L24 VanDerWaalsContact CB-CD1 3.44Å |
| 18 | L | 71.6 | Confident | 70.4 | Confident | 135 Ų | 135 | 99.5 Ų | 99.5 | 71% | 0.707 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -82 | -28.1 | 177.7 | -121.1 | 78.4 | 0 | 0 | 0 | 112.6 | L15 V16 | L15-L18 HydrophobicContact CB-CB 4.48Å; L15-L18 HydrophobicContact CD2-CD2 4.44Å; L15-L18 WeakPolarHBondContact O-CA 2.89Å; L15-L18 VanDerWaalsContact O-CB 3.26Å; L15-L18 WeakPolarHBondContact O-CB 3.43Å; L15-L18 PolarHBondContact O-N 3.19Å; V16-L18 PolarHBondContact O-N 2.91Å |
| 19 | F | 70.8 | Confident | 68.7 | Low | 168 Ų | 168 | 101.3 Ų | 101.3 | 74% | 0.737 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -96.8 | -24.8 | -172.6 | -65 | -69.3 | 0 | 0 | 0 | 113.9 | L15 V16 | L15-F19 HydrophobicContact CB-CD2 4.24Å; L15-F19 HydrophobicContact CB-CE2 3.73Å; L15-F19 WeakPolarHBondContact O-CD2 3.37Å; L15-F19 PolarHBondContact O-N 3.07Å; V16-F19 PolarHBondContact O-N 3.4Å |
| 20 | C | 70.1 | Confident | 66.5 | Low | 39 Ų | 39 | 104.3 Ų | 104.3 | 26% | 0.264 | 57% | 0.571 | S | S | . | * | trans | -159.5 | 106.7 | -177.5 | -171.8 | 0 | 0 | 0 | 0 | 113 | V16 C22 F23 | V16-C20 PolarHBondContact O-N 3.48Å; V16-C20 VanDerWaalsContact O-N 3.16Å; C20-C22 PolarHBondContact O-N 3.31Å; C20-C22 VanDerWaalsContact O-N 3.15Å; C20-C22 VanDerWaalsContact SG-CB 3.52Å; C20-F23 HydrophobicContact CB-CD2 3.7Å; C20-F23 HydrophobicContact CB-CE2 3.96Å; C20-F23 PolarHBondContact O-N 2.94Å | ||
| 21 | S | 71.3 | Confident | 64.7 | Low | 98 Ų | 98 | 105.7 Ų | 105.7 | 69% | 0.685 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -61 | -20.4 | 174.8 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | F23 L24 | S21-F23 PolarHBondContact O-N 3.49Å; S21-L24 PolarHBondContact O-N 3.48Å |
| 22 | C | 75.3 | Confident | 62.8 | Low | 87 Ų | 87 | 106.8 Ų | 106.8 | 59% | 0.588 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -64.4 | -23.6 | -178.9 | -53 | 0 | 0 | 0 | 0 | 113.9 | C20 | C20-C22 PolarHBondContact O-N 3.31Å; C20-C22 VanDerWaalsContact O-N 3.15Å; C20-C22 VanDerWaalsContact SG-CB 3.52Å |
| 23 | F | 68.3 | Low | 60.9 | Low | 47 Ų | 47 | 107.5 Ų | 107.5 | 21% | 0.206 | 60% | 0.6 | C | S | . | * | G | 310 helix | trans | -80.7 | -21.9 | 179.7 | -71 | -84.8 | 0 | 0 | 0 | 113 | K7 M10 K11 V16 C20 S21 | K7-F23 HydrophobicContact CG-CD1 3.82Å; K7-F23 HydrophobicContact CG-CE1 4.22Å; M10-F23 HydrophobicContact CB-CD1 4.03Å; M10-F23 HydrophobicContact CB-CE1 3.89Å; M10-F23 HydrophobicContact CB-CZ 4.48Å; M10-F23 HydrophobicContact CG-CE1 4.21Å; K11-F23 WeakPolarHBondContact CE-O 3.43Å; V16-F23 HydrophobicContact CG2-CD2 4.44Å; C20-F23 HydrophobicContact CB-CD2 3.7Å; C20-F23 HydrophobicContact CB-CE2 3.96Å; C20-F23 PolarHBondContact O-N 2.94Å; S21-F23 PolarHBondContact O-N 3.49Å |
| 24 | L | 63.4 | Low | 59.3 | Low | 99 Ų | 99 | 111.4 Ų | 111.4 | 52% | 0.518 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -111.8 | 31 | -178.4 | -65.8 | 173.2 | 0 | 0 | 0 | 112.6 | S17 S21 D26 | S17-L24 VanDerWaalsContact CB-CD1 3.44Å; S21-L24 PolarHBondContact O-N 3.48Å; L24-D26 PolarHBondContact O-N 3.42Å |
| 25 | A | 59.7 | Low | 57.6 | Low | 73 Ų | 73 | 116.5 Ų | 116.5 | 60% | 0.603 | 62% | 0.618 | S | S | * | * | trans | -68.5 | 83.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | P27 | A25-P27 WeakPolarHBondContact O-CD 3.38Š| ||
| 26 | D | 54.4 | Low | 56 | Low | 122 Ų | 122 | 119.9 Ų | 119.9 | 65% | 0.652 | 63% | 0.631 | S | S | * | * | trans | -74.5 | 119.2 | 169.5 | -147.9 | -8.3 | 0 | 0 | 0 | 107.8 | L24 L28 | L24-D26 PolarHBondContact O-N 3.42Å; D26-L28 PolarHBondContact O-N 2.93Å | ||
| 27 | P | 52.1 | Low | 54.5 | Low | 123 Ų | 123 | 122.7 Ų | 122.7 | 80% | 0.799 | 66% | 0.656 | S | S | * | * | trans | -73.2 | 9.1 | -179.2 | -13.4 | 29 | 0 | 0 | 0 | 113.8 | A25 N29 | A25-P27 WeakPolarHBondContact O-CD 3.38Å; P27-N29 PolarHBondContact O-N 3.19Å | ||
| 28 | L | 44.6 | Very low | 53.4 | Low | 143 Ų | 143 | 127.1 Ų | 127.1 | 75% | 0.749 | 67% | 0.674 | S | S | * | * | trans | -86.3 | 115.2 | -169.7 | -82.9 | 156.4 | 0 | 0 | 0 | 111.5 | D26 | D26-L28 PolarHBondContact O-N 2.93Š| ||
| 29 | N | 44.8 | Very low | 52.4 | Low | 138 Ų | 138 | 126.4 Ų | 126.4 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | trans | 93.6 | 62.5 | 162.9 | -137.3 | -4.9 | 0 | 0 | 0 | 117.5 | P27 S31 | P27-N29 PolarHBondContact O-N 3.19Å; N29-S31 PolarHBondContact O-N 3.38Å | ||
| 30 | K | 35.5 | Very low | 51.3 | Low | 215 Ų | 215 | 124.6 Ų | 124.6 | 94% | 0.935 | 68% | 0.679 | S | S | * | * | trans | -67.4 | 80.7 | 146.6 | -72.6 | 178.7 | 178.3 | 177.6 | 0 | 109.4 | S32 | K30-S32 PolarHBondContact O-N 3.04Š| ||
| 31 | S | 45.6 | Very low | 50.3 | Low | 82 Ų | 82 | 127.8 Ų | 127.8 | 57% | 0.573 | 69% | 0.693 | S | S | * | * | trans | -80.6 | 108.3 | 159.5 | 57.9 | 0 | 0 | 0 | 0 | 108.2 | N29 Y33 | N29-S31 PolarHBondContact O-N 3.38Å; S31-Y33 PolarHBondContact O-N 3.35Å; S31-Y33 VanDerWaalsContact O-N 3.07Å | ||
| 32 | S | 40 | Very low | 49.4 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | -45.3 | 107.2 | 174 | 168.9 | 0 | 0 | 0 | 0 | 112.1 | K30 K34 | K30-S32 PolarHBondContact O-N 3.04Å; S32-K34 PolarHBondContact O-N 3.16Å | ||
| 33 | Y | 40.1 | Very low | 48.2 | Very low | 174 Ų | 174 | 132 Ų | 132 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | trans | -73.5 | 106.1 | 165.4 | -115.1 | -91.6 | 0 | 0 | 0 | 108.7 | S31 W44 | S31-Y33 PolarHBondContact O-N 3.35Å; S31-Y33 VanDerWaalsContact O-N 3.07Å; Y33-W44 WeakPolarHBondContact OH-CH2 3.46Å; Y33-W44 WeakPolarHBondContact OH-CZ3 3.49Å | ||
| 34 | K | 42.1 | Very low | 47.2 | Very low | 182 Ų | 182 | 138.4 Ų | 138.4 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | -87.9 | 123.7 | 165.5 | -80.3 | -173.5 | 175.2 | -177.2 | 0 | 108.4 | S32 E36 | S32-K34 PolarHBondContact O-N 3.16Å; K34-E36 PolarHBondContact O-N 2.93Å | ||
| 35 | Y | 41.9 | Very low | 46.5 | Very low | 225 Ų | 225 | 138.2 Ų | 138.2 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | trans | -77.4 | 105.6 | 173.5 | -130 | -97.6 | 0 | 0 | 0 | 107.9 | ||||
| 36 | E | 40.1 | Very low | 46.1 | Very low | 175 Ų | 175 | 140 Ų | 140 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -118.4 | 124.2 | 156.9 | -71.8 | -145.5 | 172.6 | 0 | 0 | 108.3 | K34 | K34-E36 PolarHBondContact O-N 2.93Š| ||
| 37 | A | 43.8 | Very low | 46.3 | Very low | 79 Ų | 79 | 137.9 Ų | 137.9 | 65% | 0.653 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -67.7 | 154.4 | -178 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 38 | D | 45.5 | Very low | 46.7 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 88% | 0.877 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 83.8 | 15.9 | 163.9 | -58.4 | -15 | 0 | 0 | 0 | 119.6 | ||
| 39 | T | 50.5 | Low | 48 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | trans | -129 | 108.5 | 158.7 | 52.1 | 0 | 0 | 0 | 0 | 110.7 | D41 | T39-D41 VanDerWaalsContact C-N 3.26Å; T39-D41 PolarHBondContact O-N 3.15Å | ||
| 40 | V | 49.4 | Very low | 49.8 | Very low | 131 Ų | 131 | 133 Ų | 133 | 79% | 0.794 | 70% | 0.696 | S | S | * | * | trans | -68.4 | 95.8 | 162 | -176.9 | 0 | 0 | 0 | 0 | 105.1 | L42 | V40-L42 VanDerWaalsContact C-N 3.27Å; V40-L42 PolarHBondContact O-N 2.91Å | ||
| 41 | D | 48.1 | Very low | 52 | Low | 105 Ų | 105 | 128.1 Ų | 128.1 | 56% | 0.561 | 68% | 0.677 | S | S | * | * | trans | -64.9 | 93.8 | 173.5 | -172.9 | 12.5 | 0 | 0 | 0 | 108.7 | T39 N43 W44 | T39-D41 VanDerWaalsContact C-N 3.26Å; T39-D41 PolarHBondContact O-N 3.15Å; D41-N43 PolarHBondContact O-N 2.64Å; D41-N43 VanDerWaalsContact O-N 3.07Å; D41-N43 VanDerWaalsContact OD1-CB 3.28Å; D41-N43 WeakPolarHBondContact OD1-CB 3.49Å; D41-N43 PolarHBondContact OD1-N 2.9Å; D41-N43 VanDerWaalsContact OD1-N 3.07Å; D41-W44 PolarHBondContact O-N 3.47Å; D41-W44 VanDerWaalsContact O-N 3.1Å | ||
| 42 | L | 52.5 | Low | 54 | Low | 141 Ų | 141 | 127.7 Ų | 127.7 | 74% | 0.738 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -62.4 | -4.2 | 174.2 | -80 | 133.9 | 0 | 0 | 0 | 112.4 | V40 W44 | V40-L42 VanDerWaalsContact C-N 3.27Å; V40-L42 PolarHBondContact O-N 2.91Å; L42-W44 VanDerWaalsContact C-N 3.3Å |
| 43 | N | 50.9 | Low | 56.4 | Low | 133 Ų | 133 | 125.9 Ų | 125.9 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -78.8 | -2.7 | 168 | -83.3 | -8.7 | 0 | 0 | 0 | 114.7 | D41 C45 | D41-N43 PolarHBondContact O-N 2.64Å; D41-N43 VanDerWaalsContact O-N 3.07Å; D41-N43 VanDerWaalsContact OD1-CB 3.28Å; D41-N43 WeakPolarHBondContact OD1-CB 3.49Å; D41-N43 PolarHBondContact OD1-N 2.9Å; D41-N43 VanDerWaalsContact OD1-N 3.07Å; N43-C45 PolarHBondContact O-N 3.4Å |
| 44 | W | 47.3 | Very low | 58.8 | Low | 181 Ų | 181 | 123.9 Ų | 123.9 | 69% | 0.686 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -69.8 | -5.6 | 167.8 | -162.9 | -89.9 | 0 | 0 | 0 | 113 | Y33 D41 L42 V46 | Y33-W44 WeakPolarHBondContact OH-CH2 3.46Å; Y33-W44 WeakPolarHBondContact OH-CZ3 3.49Å; D41-W44 PolarHBondContact O-N 3.47Å; D41-W44 VanDerWaalsContact O-N 3.1Å; L42-W44 VanDerWaalsContact C-N 3.3Å; W44-V46 PolarHBondContact O-N 2.91Å |
| 45 | C | 47.9 | Very low | 61.2 | Low | 95 Ų | 95 | 119.4 Ų | 119.4 | 64% | 0.642 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -95.8 | 30 | -177.4 | -74.5 | 0 | 0 | 0 | 0 | 114.9 | N43 | N43-C45 PolarHBondContact O-N 3.4Š|
| 46 | V | 51.9 | Low | 63.6 | Low | 110 Ų | 110 | 114.6 Ų | 114.6 | 67% | 0.667 | 62% | 0.623 | S | S | * | * | trans | -121.4 | 63.2 | 164.1 | -162.9 | 0 | 0 | 0 | 0 | 109.2 | W44 S48 | W44-V46 PolarHBondContact O-N 2.91Å; V46-S48 VanDerWaalsContact C-N 3.34Å; V46-S48 PolarHBondContact O-N 3.01Å | ||
| 47 | I | 57.1 | Low | 66.1 | Low | 79 Ų | 79 | 112.2 Ų | 112.2 | 41% | 0.405 | 61% | 0.61 | S | S | . | * | trans | -64.1 | 105.7 | 156.6 | -60.5 | 170.9 | 0 | 0 | 0 | 104.2 | D49 M50 | I47-D49 HydrophobicContact CG2-CB 4.41Å; I47-D49 PolarHBondContact O-N 3.48Å; I47-M50 HydrophobicContact CB-CB 3.61Å; I47-M50 HydrophobicContact CD1-CB 4.39Å; I47-M50 HydrophobicContact CD1-SD 4.04Å; I47-M50 HydrophobicContact CG2-CB 3.77Å; I47-M50 PolarHBondContact O-N 3.27Å | ||
| 48 | S | 61.9 | Low | 68.4 | Low | 111 Ų | 111 | 112.7 Ų | 112.7 | 78% | 0.776 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -15.4 | -177 | -51.2 | 0 | 0 | 0 | 0 | 113.3 | V46 | V46-S48 VanDerWaalsContact C-N 3.34Å; V46-S48 PolarHBondContact O-N 3.01Å |
| 49 | D | 70.9 | Confident | 70.6 | Confident | 111 Ų | 111 | 112.3 Ų | 112.3 | 59% | 0.594 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 9.3 | -179.3 | -52.6 | -32.4 | 0 | 0 | 0 | 113.3 | I47 L68 | I47-D49 HydrophobicContact CG2-CB 4.41Å; I47-D49 PolarHBondContact O-N 3.48Å; D49-L68 VanDerWaalsContact CB-O 3.31Å; D49-L68 WeakPolarHBondContact CB-O 3.4Å; D49-L68 CarbonylContact O-C 3.15Å; D49-L68 WeakPolarHBondContact O-CA 3.44Å; D49-L68 VanDerWaalsContact O-O 3.07Å |
| 50 | M | 82.5 | Confident | 72.7 | Confident | 78 Ų | 78 | 112.5 Ų | 112.5 | 38% | 0.384 | 62% | 0.617 | S | S | . | * | trans | -94.5 | 107.5 | 177.8 | -175 | 171.8 | 91.6 | 0 | 0 | 111.5 | I47 V52 V66 I67 L68 | I47-M50 HydrophobicContact CB-CB 3.61Å; I47-M50 HydrophobicContact CD1-CB 4.39Å; I47-M50 HydrophobicContact CD1-SD 4.04Å; I47-M50 HydrophobicContact CG2-CB 3.77Å; I47-M50 PolarHBondContact O-N 3.27Å; M50-V52 HydrophobicContact CE-CG2 4.11Å; M50-V52 HydrophobicContact CG-CG2 4.25Å; M50-V66 HydrophobicContact CG-CG1 3.69Å; M50-V66 HydrophobicContact SD-CG1 3.99Å; M50-I67 WeakPolarHBondContact CA-O 3.46Å; M50-L68 HydrophobicContact CB-CD2 4.29Å; M50-L68 HydrophobicContact CG-CD2 3.99Å; M50-L68 HydrophobicContact SD-CD2 4.2Å | ||
| 51 | E | 82.7 | Confident | 74.9 | Confident | 114 Ų | 114 | 108 Ų | 108 | 53% | 0.533 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 126.5 | 172.1 | -175.5 | 177.9 | -173.6 | 0 | 0 | 109.4 | I53 V66 I67 | E51-I53 HydrophobicContact CG-CG1 4.23Å; E51-V66 CarbonylContact O-C 3.56Å; E51-V66 WeakPolarHBondContact O-CA 3.5Å; E51-I67 HydrophobicContact CB-CB 4.31Å; E51-I67 PolarHBondContact N-O 3.18Å; E51-I67 PolarHBondContact O-N 3.31Å |
| 52 | V | 87.9 | Confident | 77.1 | Confident | 73 Ų | 73 | 109.1 Ų | 109.1 | 44% | 0.442 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.4 | 115.9 | 176.9 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | M50 F64 E65 V66 | M50-V52 HydrophobicContact CE-CG2 4.11Å; M50-V52 HydrophobicContact CG-CG2 4.25Å; V52-F64 HydrophobicContact CG1-CB 4.08Å; V52-F64 HydrophobicContact CG1-CD2 3.73Å; V52-F64 HydrophobicContact CG1-CG 4.14Å; V52-E65 CarbonylContact C-O 3.56Å; V52-E65 WeakPolarHBondContact CA-O 3.38Å; V52-V66 HydrophobicContact CG2-CG1 4.41Å; V52-V66 HydrophobicContact CG2-CG2 4.26Å |
| 53 | I | 89.6 | Confident | 79 | Confident | 63 Ų | 63 | 105 Ų | 105 | 32% | 0.323 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.4 | 109.2 | 179 | -57.6 | 173.6 | 0 | 0 | 0 | 107.8 | E51 L55 F64 E65 I67 | E51-I53 HydrophobicContact CG-CG1 4.23Å; I53-L55 PolarHBondContact O-N 3.24Å; I53-F64 CarbonylContact O-C 3.45Å; I53-F64 WeakPolarHBondContact O-CA 3.32Å; I53-F64 WeakPolarHBondContact O-CB 3.44Å; I53-E65 HydrophobicContact CB-CB 4.28Å; I53-E65 PolarHBondContact N-O 3.05Å; I53-E65 PolarHBondContact O-N 2.92Å; I53-I67 HydrophobicContact CD1-CD1 3.82Å |
| 54 | E | 89.6 | Confident | 81.1 | Confident | 131 Ų | 131 | 104.1 Ų | 104.1 | 61% | 0.612 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.5 | 125.7 | 174.8 | -63 | -166 | 158.3 | 0 | 0 | 110.5 | K57 | E54-K57 IonicContact OE1-NZ 2.88Å; E54-K57 PolarHBondContact OE1-NZ 3.34Å; E54-K57 WeakPolarHBondContact OE2-CE 3.38Å; E54-K57 IonicContact OE2-NZ 2.8Å; E54-K57 PolarHBondContact OE2-NZ 3.47Å |
| 55 | L | 92.9 | Very high | 83.2 | Confident | 89 Ų | 89 | 100.1 Ų | 100.1 | 47% | 0.466 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.1 | -60.6 | -177.9 | -66.7 | 174.2 | 0 | 0 | 0 | 111.5 | I53 S63 E65 | I53-L55 PolarHBondContact O-N 3.24Å; L55-S63 WeakPolarHBondContact CB-O 3.41Å; L55-S63 WeakPolarHBondContact CB-OG 3.37Å; L55-S63 PolarHBondContact N-O 3.2Å; L55-E65 HydrophobicContact CD1-CB 4.23Å; L55-E65 HydrophobicContact CD2-CB 4.46Å; L55-E65 HydrophobicContact CG-CB 4.33Å |
| 56 | N | 92.3 | Very high | 85.3 | Confident | 123 Ų | 123 | 98.6 Ų | 98.6 | 66% | 0.658 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 153.2 | -177.2 | -81.4 | -61.2 | 0 | 0 | 0 | 112.3 | Q62 S63 | N56-Q62 CarbonylContact O-C 3.51Å; N56-Q62 VanDerWaalsContact O-CA 3.3Å; N56-Q62 WeakPolarHBondContact O-CA 3.36Å; N56-S63 PolarHBondContact N-O 2.93Å; N56-S63 PolarHBondContact N-OG 3.21Å; N56-S63 PolarHBondContact O-N 3.03Å |
| 57 | K | 93.2 | Very high | 87 | Confident | 125 Ų | 125 | 95.4 Ų | 95.4 | 54% | 0.543 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 133 | 172.1 | -61.3 | -176.3 | 176.4 | 163.4 | 0 | 109.5 | E54 Q62 | E54-K57 IonicContact OE1-NZ 2.88Å; E54-K57 PolarHBondContact OE1-NZ 3.34Å; E54-K57 WeakPolarHBondContact OE2-CE 3.38Å; E54-K57 IonicContact OE2-NZ 2.8Å; E54-K57 PolarHBondContact OE2-NZ 3.47Å; K57-Q62 HydrophobicContact CG-CB 3.83Å |
| 58 | C | 91 | Very high | 88.4 | Confident | 89 Ų | 89 | 96.5 Ų | 96.5 | 60% | 0.601 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 171.4 | 172.2 | 70.5 | 0 | 0 | 0 | 0 | 109.8 | S60 G61 | C58-S60 PolarHBondContact O-N 3.16Å; C58-S60 VanDerWaalsContact O-N 3.07Å; C58-G61 PolarHBondContact N-O 3.32Å; C58-G61 PolarHBondContact O-N 3.17Å; C58-G61 VanDerWaalsContact O-N 3.14Å; C58-G61 PolarHBondContact SG-N 2.86Å; C58-G61 PolarHBondContact SG-O 2.85Å |
| 59 | T | 93.4 | Very high | 89.5 | Confident | 156 Ų | 156 | 98.2 Ų | 98.2 | 96% | 0.957 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -29.6 | -179.8 | -46.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 60 | S | 94.1 | Very high | 89.9 | Confident | 124 Ų | 124 | 97.1 Ų | 97.1 | 87% | 0.867 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -7.4 | -176.4 | -54.4 | 0 | 0 | 0 | 0 | 114.4 | C58 | C58-S60 PolarHBondContact O-N 3.16Å; C58-S60 VanDerWaalsContact O-N 3.07Å |
| 61 | G | 94.1 | Very high | 89.8 | Confident | 38 Ų | 38 | 97.8 Ų | 97.8 | 39% | 0.392 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.1 | 178.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | C58 | C58-G61 PolarHBondContact N-O 3.32Å; C58-G61 PolarHBondContact O-N 3.17Å; C58-G61 VanDerWaalsContact O-N 3.14Å; C58-G61 PolarHBondContact SG-N 2.86Å; C58-G61 PolarHBondContact SG-O 2.85Å |
| 62 | Q | 94.3 | Very high | 89.5 | Confident | 128 Ų | 128 | 97.7 Ų | 97.7 | 60% | 0.598 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 143.8 | 177.2 | 58.6 | -172 | -13.7 | 0 | 0 | 109.5 | N56 K57 | N56-Q62 CarbonylContact O-C 3.51Å; N56-Q62 VanDerWaalsContact O-CA 3.3Å; N56-Q62 WeakPolarHBondContact O-CA 3.36Å; K57-Q62 HydrophobicContact CG-CB 3.83Å |
| 63 | S | 92.9 | Very high | 88.9 | Confident | 55 Ų | 55 | 100.4 Ų | 100.4 | 39% | 0.385 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.8 | 144.3 | 173.4 | 59.9 | 0 | 0 | 0 | 0 | 110.2 | L55 N56 | L55-S63 WeakPolarHBondContact CB-O 3.41Å; L55-S63 WeakPolarHBondContact CB-OG 3.37Å; L55-S63 PolarHBondContact N-O 3.2Å; N56-S63 PolarHBondContact N-O 2.93Å; N56-S63 PolarHBondContact N-OG 3.21Å; N56-S63 PolarHBondContact O-N 3.03Å |
| 64 | F | 95.2 | Very high | 88 | Confident | 113 Ų | 113 | 105.1 Ų | 105.1 | 50% | 0.496 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -149.5 | 151.3 | 177.6 | 56.6 | -87.9 | 0 | 0 | 0 | 108.5 | V52 I53 V66 | V52-F64 HydrophobicContact CG1-CB 4.08Å; V52-F64 HydrophobicContact CG1-CD2 3.73Å; V52-F64 HydrophobicContact CG1-CG 4.14Å; I53-F64 CarbonylContact O-C 3.45Å; I53-F64 WeakPolarHBondContact O-CA 3.32Å; I53-F64 WeakPolarHBondContact O-CB 3.44Å; F64-V66 HydrophobicContact CD2-CG2 3.43Å; F64-V66 VanDerWaalsContact CD2-CG2 3.43Å; F64-V66 HydrophobicContact CE2-CG2 3.39Å |
| 65 | E | 92.5 | Very high | 86.9 | Confident | 98 Ų | 98 | 100.4 Ų | 100.4 | 46% | 0.458 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.9 | 137.5 | 172 | -179.8 | 170.2 | -167.2 | 0 | 0 | 108.6 | V52 I53 L55 I67 | V52-E65 CarbonylContact C-O 3.56Å; V52-E65 WeakPolarHBondContact CA-O 3.38Å; I53-E65 HydrophobicContact CB-CB 4.28Å; I53-E65 PolarHBondContact N-O 3.05Å; I53-E65 PolarHBondContact O-N 2.92Å; L55-E65 HydrophobicContact CD1-CB 4.23Å; L55-E65 HydrophobicContact CD2-CB 4.46Å; L55-E65 HydrophobicContact CG-CB 4.33Å; E65-I67 HydrophobicContact CG-CG1 4.34Å |
| 66 | V | 91.2 | Very high | 85.7 | Confident | 62 Ų | 62 | 102.2 Ų | 102.2 | 38% | 0.376 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.6 | 116.3 | 177.4 | -175 | 0 | 0 | 0 | 0 | 108.6 | M50 E51 V52 F64 L68 | M50-V66 HydrophobicContact CG-CG1 3.69Å; M50-V66 HydrophobicContact SD-CG1 3.99Å; E51-V66 CarbonylContact O-C 3.56Å; E51-V66 WeakPolarHBondContact O-CA 3.5Å; V52-V66 HydrophobicContact CG2-CG1 4.41Å; V52-V66 HydrophobicContact CG2-CG2 4.26Å; F64-V66 HydrophobicContact CD2-CG2 3.43Å; F64-V66 VanDerWaalsContact CD2-CG2 3.43Å; F64-V66 HydrophobicContact CE2-CG2 3.39Å; V66-L68 HydrophobicContact CG1-CD2 3.88Å; V66-L68 HydrophobicContact CG1-CG 4.49Å |
| 67 | I | 87.4 | Confident | 84.5 | Confident | 43 Ų | 43 | 101.3 Ų | 101.3 | 22% | 0.221 | 58% | 0.583 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.7 | 175.9 | -57.3 | 176 | 0 | 0 | 0 | 107.2 | M50 E51 I53 E65 | M50-I67 WeakPolarHBondContact CA-O 3.46Å; E51-I67 HydrophobicContact CB-CB 4.31Å; E51-I67 PolarHBondContact N-O 3.18Å; E51-I67 PolarHBondContact O-N 3.31Å; I53-I67 HydrophobicContact CD1-CD1 3.82Å; E65-I67 HydrophobicContact CG-CG1 4.34Å |
| 68 | L | 87.4 | Confident | 83.1 | Confident | 103 Ų | 103 | 103.8 Ų | 103.8 | 54% | 0.539 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -91.2 | -19.9 | 178.7 | -59.2 | 178.4 | 0 | 0 | 0 | 113.2 | D49 M50 V66 | D49-L68 VanDerWaalsContact CB-O 3.31Å; D49-L68 WeakPolarHBondContact CB-O 3.4Å; D49-L68 CarbonylContact O-C 3.15Å; D49-L68 WeakPolarHBondContact O-CA 3.44Å; D49-L68 VanDerWaalsContact O-O 3.07Å; M50-L68 HydrophobicContact CB-CD2 4.29Å; M50-L68 HydrophobicContact CG-CD2 3.99Å; M50-L68 HydrophobicContact SD-CD2 4.2Å; V66-L68 HydrophobicContact CG1-CD2 3.88Å; V66-L68 HydrophobicContact CG1-CG 4.49Å |
| 69 | K | 83.8 | Confident | 81.6 | Confident | 147 Ų | 147 | 107.8 Ų | 107.8 | 64% | 0.639 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -158.1 | 128.5 | 179 | -174 | 178.3 | 177.2 | 177.7 | 0 | 107.5 | ||
| 70 | P | 80.7 | Confident | 79.8 | Confident | 87 Ų | 87 | 104.4 Ų | 104.4 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | trans | -60.4 | 151.8 | 174.8 | 25.5 | -33.4 | 0 | 0 | 0 | 110.4 | S72 | P70-S72 PolarHBondContact O-N 3.09Š| ||
| 71 | P | 79.6 | Confident | 77.9 | Confident | 93 Ų | 93 | 103 Ų | 103 | 60% | 0.604 | 58% | 0.575 | S | S | * | * | trans | -52.9 | 132.7 | 177 | 23.6 | -33.4 | 0 | 0 | 0 | 109.8 | F73 | P71-F73 PolarHBondContact O-N 3.42Å; P71-F73 VanDerWaalsContact O-N 3.16Å | ||
| 72 | S | 76.7 | Confident | 76 | Confident | 111 Ų | 111 | 106.1 Ų | 106.1 | 78% | 0.776 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -71.8 | -5.6 | 179.8 | -53 | 0 | 0 | 0 | 0 | 113 | P70 | P70-S72 PolarHBondContact O-N 3.09Š|
| 73 | F | 75.2 | Confident | 74.3 | Confident | 130 Ų | 130 | 106.1 Ų | 106.1 | 57% | 0.57 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -140.6 | 117.4 | 177.1 | 179.7 | -115.4 | 0 | 0 | 0 | 107.3 | P71 G75 | P71-F73 PolarHBondContact O-N 3.42Å; P71-F73 VanDerWaalsContact O-N 3.16Å; F73-G75 VanDerWaalsContact CD1-O 3.31Å; F73-G75 WeakPolarHBondContact CD1-O 3.29Å; F73-G75 PolarHBondContact O-N 2.96Å; F73-G75 VanDerWaalsContact O-N 3.12Å |
| 74 | D | 69.7 | Low | 72.8 | Confident | 162 Ų | 162 | 108.2 Ų | 108.2 | 87% | 0.866 | 61% | 0.607 | S | S | * | * | trans | -70.4 | 1.6 | 178 | -83.6 | -23.5 | 0 | 0 | 0 | 113.4 | ||||
| 75 | G | 66.5 | Low | 71.5 | Confident | 33 Ų | 33 | 114.4 Ų | 114.4 | 34% | 0.34 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -89.5 | 144.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F73 | F73-G75 VanDerWaalsContact CD1-O 3.31Å; F73-G75 WeakPolarHBondContact CD1-O 3.29Å; F73-G75 PolarHBondContact O-N 2.96Å; F73-G75 VanDerWaalsContact O-N 3.12Å |
| 76 | V | 68.4 | Low | 70.7 | Confident | 127 Ų | 127 | 120.2 Ų | 120.2 | 77% | 0.77 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 137.2 | 164.9 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | E78 | V76-E78 PolarHBondContact O-N 3.46Š|
| 77 | P | 68 | Low | 70.3 | Confident | 104 Ų | 104 | 128.5 Ų | 128.5 | 68% | 0.675 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 117.4 | 177.6 | -26.7 | 33.2 | 0 | 0 | 0 | 111 | F79 | P77-F79 HydrophobicContact CB-CB 4.36Å; P77-F79 PolarHBondContact O-N 3.45Å |
| 78 | E | 63.4 | Low | 70.3 | Confident | 176 Ų | 176 | 133.7 Ų | 133.7 | 82% | 0.822 | 70% | 0.698 | S | S | * | * | trans | -70.8 | 27.8 | 172.1 | -69.5 | -175.9 | 160.7 | 0 | 0 | 111.9 | V76 N80 | V76-E78 PolarHBondContact O-N 3.46Å; E78-N80 PolarHBondContact O-N 2.87Å | ||
| 79 | F | 59.6 | Low | 70.4 | Confident | 174 Ų | 174 | 132.5 Ų | 132.5 | 76% | 0.763 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -75.2 | 92.1 | 179.1 | -162.1 | -98.5 | 0 | 0 | 0 | 109.1 | P77 A81 | P77-F79 HydrophobicContact CB-CB 4.36Å; P77-F79 PolarHBondContact O-N 3.45Å; F79-A81 VanDerWaalsContact C-N 3.29Å; F79-A81 PolarHBondContact O-N 3.45Å; F79-A81 VanDerWaalsContact O-N 3.14Å |
| 80 | N | 55.6 | Low | 70.9 | Confident | 85 Ų | 85 | 128 Ų | 128 | 46% | 0.455 | 68% | 0.683 | S | S | . | * | S | Bend | trans | 54.9 | 32.4 | 169.9 | -58.1 | -48.5 | 0 | 0 | 0 | 115.9 | E78 S82 L83 | E78-N80 PolarHBondContact O-N 2.87Å; N80-S82 PolarHBondContact O-N 2.82Å; N80-S82 VanDerWaalsContact O-N 3.08Å; N80-L83 HydrophobicContact CB-CD1 4.3Å; N80-L83 HydrophobicContact CB-CG 4.48Å; N80-L83 PolarHBondContact O-N 3.07Å; N80-L83 VanDerWaalsContact O-N 3.1Å |
| 81 | A | 53.5 | Low | 71.7 | Confident | 93 Ų | 93 | 129.7 Ų | 129.7 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -10.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F79 | F79-A81 VanDerWaalsContact C-N 3.29Å; F79-A81 PolarHBondContact O-N 3.45Å; F79-A81 VanDerWaalsContact O-N 3.14Å |
| 82 | S | 54.3 | Low | 72.4 | Confident | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -7.2 | 174.7 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | N80 P84 | N80-S82 PolarHBondContact O-N 2.82Å; N80-S82 VanDerWaalsContact O-N 3.08Å; S82-P84 WeakPolarHBondContact O-CD 3.35Å |
| 83 | L | 59.3 | Low | 73.4 | Confident | 127 Ų | 127 | 132.4 Ų | 132.4 | 67% | 0.665 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -76.9 | 110 | 163 | -73.7 | 176.8 | 0 | 0 | 0 | 106.7 | N80 R85 | N80-L83 HydrophobicContact CB-CD1 4.3Å; N80-L83 HydrophobicContact CB-CG 4.48Å; N80-L83 PolarHBondContact O-N 3.07Å; N80-L83 VanDerWaalsContact O-N 3.1Å; L83-R85 PolarHBondContact O-N 3.29Å; L83-R85 VanDerWaalsContact O-N 3.09Å |
| 84 | P | 61.6 | Low | 74.4 | Confident | 99 Ų | 99 | 129.9 Ų | 129.9 | 64% | 0.643 | 67% | 0.671 | S | S | * | * | trans | -55 | 127.6 | 174.3 | -15 | 28.6 | 0 | 0 | 0 | 106.1 | S82 R86 | S82-P84 WeakPolarHBondContact O-CD 3.35Å; P84-R86 VanDerWaalsContact C-N 3.32Å; P84-R86 PolarHBondContact O-N 3.1Å | ||
| 85 | R | 68 | Low | 75.8 | Confident | 244 Ų | 244 | 126.6 Ų | 126.6 | 92% | 0.921 | 65% | 0.65 | S | S | * | * | trans | -50.2 | 109.1 | 166 | -74.2 | -167 | 178.4 | -118.6 | 1.4 | 105.1 | L83 R87 | L83-R85 PolarHBondContact O-N 3.29Å; L83-R85 VanDerWaalsContact O-N 3.09Å; R85-R87 PolarHBondContact O-N 2.98Å; R85-R87 VanDerWaalsContact O-N 3.09Å | ||
| 86 | R | 74.2 | Confident | 77.3 | Confident | 220 Ų | 220 | 132.1 Ų | 132.1 | 83% | 0.83 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 125.5 | 176 | -70.9 | -68.3 | -173.7 | 178.8 | -0.6 | 104.1 | P84 D88 | P84-R86 VanDerWaalsContact C-N 3.32Å; P84-R86 PolarHBondContact O-N 3.1Å; R86-D88 PolarHBondContact O-N 3.02Å |
| 87 | R | 84.2 | Confident | 78.7 | Confident | 236 Ų | 236 | 133.9 Ų | 133.9 | 89% | 0.891 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 127.4 | 174.4 | -70.2 | -177.9 | -177.8 | 176.3 | -0.3 | 106.3 | R85 | R85-R87 PolarHBondContact O-N 2.98Å; R85-R87 VanDerWaalsContact O-N 3.09Å |
| 88 | D | 87.4 | Confident | 80.1 | Confident | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 131.3 | 172.4 | -68.2 | -40.8 | 0 | 0 | 0 | 107.4 | R86 S90 | R86-D88 PolarHBondContact O-N 3.02Å; D88-S90 PolarHBondContact O-N 3.41Å |
| 89 | P | 89.2 | Confident | 81.8 | Confident | 77 Ų | 77 | 131.4 Ų | 131.4 | 50% | 0.5 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 138.1 | -174.5 | 25.2 | -33.1 | 0 | 0 | 0 | 110 | E93 I94 | P89-E93 WeakPolarHBondContact CA-OE2 3.3Å; P89-E93 HydrophobicContact CB-CB 4.34Å; P89-I94 HydrophobicContact CB-CG1 4.05Å; P89-I94 HydrophobicContact CG-CD1 4.22Å; P89-I94 HydrophobicContact CG-CG1 4.12Å |
| 90 | S | 94 | Very high | 83.6 | Confident | 53 Ų | 53 | 125 Ų | 125 | 37% | 0.371 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -68 | 159 | 174.9 | 80.4 | 0 | 0 | 0 | 0 | 110.6 | D88 E92 E93 I94 | D88-S90 PolarHBondContact O-N 3.41Å; S90-E92 PolarHBondContact O-N 3.34Å; S90-E92 PolarHBondContact OG-N 3.44Å; S90-E93 PolarHBondContact N-OE2 2.86Å; S90-E93 PolarHBondContact O-N 2.89Å; S90-E93 VanDerWaalsContact O-N 3.09Å; S90-E93 WeakPolarHBondContact OG-CG 3.41Å; S90-E93 PolarHBondContact OG-N 2.97Å; S90-E93 VanDerWaalsContact OG-N 3.13Å; S90-I94 WeakPolarHBondContact O-CG1 3.49Å; S90-I94 PolarHBondContact O-N 3.09Å |
| 91 | L | 96.5 | Very high | 85.7 | Confident | 123 Ų | 123 | 122 Ų | 122 | 64% | 0.644 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -54.6 | -39 | 174.4 | 178.9 | 63.1 | 0 | 0 | 0 | 111.7 | I94 Q95 | L91-I94 PolarHBondContact O-N 2.98Å; L91-Q95 HydrophobicContact CD1-CG 4.47Å; L91-Q95 WeakPolarHBondContact O-CB 3.42Å; L91-Q95 WeakPolarHBondContact O-CG 3.41Å; L91-Q95 PolarHBondContact O-N 2.96Å |
| 92 | E | 96.4 | Very high | 87.8 | Confident | 151 Ų | 151 | 121.4 Ų | 121.4 | 71% | 0.706 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65 | -41.4 | 177.3 | -172.1 | -178.1 | 177.4 | 0 | 0 | 111.9 | S90 I94 Q95 K96 | S90-E92 PolarHBondContact O-N 3.34Å; S90-E92 PolarHBondContact OG-N 3.44Å; E92-I94 VanDerWaalsContact C-N 3.33Å; E92-I94 PolarHBondContact O-N 3.46Å; E92-Q95 PolarHBondContact O-N 3.31Å; E92-K96 VanDerWaalsContact O-CB 3.31Å; E92-K96 WeakPolarHBondContact O-CB 3.41Å; E92-K96 PolarHBondContact O-N 3.11Å |
| 93 | E | 96.4 | Very high | 89.9 | Confident | 109 Ų | 109 | 121.4 Ų | 121.4 | 51% | 0.509 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.3 | -39.1 | 175.8 | -72.2 | 172.9 | 158.6 | 0 | 0 | 111.8 | P89 S90 K97 | P89-E93 WeakPolarHBondContact CA-OE2 3.3Å; P89-E93 HydrophobicContact CB-CB 4.34Å; S90-E93 PolarHBondContact N-OE2 2.86Å; S90-E93 PolarHBondContact O-N 2.89Å; S90-E93 VanDerWaalsContact O-N 3.09Å; S90-E93 WeakPolarHBondContact OG-CG 3.41Å; S90-E93 PolarHBondContact OG-N 2.97Å; S90-E93 VanDerWaalsContact OG-N 3.13Å; E93-K97 VanDerWaalsContact O-CG 3.28Å; E93-K97 WeakPolarHBondContact O-CG 3.45Å; E93-K97 PolarHBondContact O-N 3.14Å; E93-K97 VanDerWaalsContact O-N 3.16Å |
| 94 | I | 97.1 | Very high | 91.8 | Very high | 77 Ų | 77 | 122.2 Ų | 122.2 | 40% | 0.395 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65 | -49.7 | 175.2 | -63.6 | 169.5 | 0 | 0 | 0 | 110 | P89 S90 L91 E92 K96 K97 L98 | P89-I94 HydrophobicContact CB-CG1 4.05Å; P89-I94 HydrophobicContact CG-CD1 4.22Å; P89-I94 HydrophobicContact CG-CG1 4.12Å; S90-I94 WeakPolarHBondContact O-CG1 3.49Å; S90-I94 PolarHBondContact O-N 3.09Å; L91-I94 PolarHBondContact O-N 2.98Å; E92-I94 VanDerWaalsContact C-N 3.33Å; E92-I94 PolarHBondContact O-N 3.46Å; I94-K96 PolarHBondContact O-N 2.97Å; I94-K97 WeakPolarHBondContact O-CB 3.32Å; I94-K97 PolarHBondContact O-N 3.07Å; I94-K97 VanDerWaalsContact O-N 3.13Å; I94-L98 HydrophobicContact CG2-CD1 4.19Å; I94-L98 WeakPolarHBondContact O-CG 3.38Å; I94-L98 PolarHBondContact O-N 3.42Å |
| 95 | Q | 97.9 | Very high | 93.6 | Very high | 94 Ų | 94 | 124.4 Ų | 124.4 | 44% | 0.439 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -57.3 | -48 | 178.2 | -76.8 | 174.2 | -14.4 | 0 | 0 | 111.4 | L91 E92 K97 L98 E99 | L91-Q95 HydrophobicContact CD1-CG 4.47Å; L91-Q95 WeakPolarHBondContact O-CB 3.42Å; L91-Q95 WeakPolarHBondContact O-CG 3.41Å; L91-Q95 PolarHBondContact O-N 2.96Å; E92-Q95 PolarHBondContact O-N 3.31Å; Q95-K97 VanDerWaalsContact C-N 3.26Å; Q95-K97 PolarHBondContact O-N 3.43Å; Q95-L98 WeakPolarHBondContact O-CB 3.49Å; Q95-L98 PolarHBondContact O-N 2.91Å; Q95-E99 WeakPolarHBondContact O-CG 3.14Å; Q95-E99 PolarHBondContact O-N 3.34Å |
| 96 | K | 97.9 | Very high | 95 | Very high | 149 Ų | 149 | 117.1 Ų | 117.1 | 65% | 0.648 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.1 | -36.3 | 177.1 | -174.1 | 174 | -176.6 | 171.4 | 0 | 112.9 | E92 I94 A100 | E92-K96 VanDerWaalsContact O-CB 3.31Å; E92-K96 WeakPolarHBondContact O-CB 3.41Å; E92-K96 PolarHBondContact O-N 3.11Å; I94-K96 PolarHBondContact O-N 2.97Å; K96-A100 VanDerWaalsContact O-CB 3.23Å; K96-A100 WeakPolarHBondContact O-CB 3.35Å; K96-A100 PolarHBondContact O-N 2.99Å |
| 97 | K | 98.2 | Very high | 96.2 | Very high | 163 Ų | 163 | 113.7 Ų | 113.7 | 71% | 0.709 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.5 | -37.6 | 175.9 | -71.8 | -73.6 | -177.7 | 178.4 | 0 | 112.2 | E93 I94 Q95 A101 | E93-K97 VanDerWaalsContact O-CG 3.28Å; E93-K97 WeakPolarHBondContact O-CG 3.45Å; E93-K97 PolarHBondContact O-N 3.14Å; E93-K97 VanDerWaalsContact O-N 3.16Å; I94-K97 WeakPolarHBondContact O-CB 3.32Å; I94-K97 PolarHBondContact O-N 3.07Å; I94-K97 VanDerWaalsContact O-N 3.13Å; Q95-K97 VanDerWaalsContact C-N 3.26Å; Q95-K97 PolarHBondContact O-N 3.43Å; K97-A101 PolarHBondContact O-N 3.18Å; K97-A101 VanDerWaalsContact O-N 3.14Å |
| 98 | L | 98.5 | Very high | 96.9 | Very high | 114 Ų | 114 | 108.8 Ų | 108.8 | 60% | 0.597 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.5 | -47.5 | 175.7 | -66.6 | 175 | 0 | 0 | 0 | 111.4 | I94 Q95 A100 A101 E102 | I94-L98 HydrophobicContact CG2-CD1 4.19Å; I94-L98 WeakPolarHBondContact O-CG 3.38Å; I94-L98 PolarHBondContact O-N 3.42Å; Q95-L98 WeakPolarHBondContact O-CB 3.49Å; Q95-L98 PolarHBondContact O-N 2.91Å; L98-A100 PolarHBondContact O-N 3.28Å; L98-A101 WeakPolarHBondContact O-CB 3.47Å; L98-A101 PolarHBondContact O-N 3.24Å; L98-A101 VanDerWaalsContact O-N 3.08Å; L98-E102 PolarHBondContact O-N 2.96Å |
| 99 | E | 98.1 | Very high | 97.4 | Very high | 114 Ų | 114 | 107.2 Ų | 107.2 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 175 | -72.1 | 173.4 | -176.9 | 0 | 0 | 111 | Q95 A101 E102 E103 | Q95-E99 WeakPolarHBondContact O-CG 3.14Å; Q95-E99 PolarHBondContact O-N 3.34Å; E99-A101 PolarHBondContact O-N 2.94Å; E99-E102 CarbonylContact O-C 3.58Å; E99-E102 WeakPolarHBondContact O-CA 3.43Å; E99-E102 WeakPolarHBondContact O-CB 3.44Å; E99-E102 PolarHBondContact O-N 2.93Å; E99-E103 WeakPolarHBondContact O-CG 3.34Å; E99-E103 PolarHBondContact O-N 2.92Å |
| 100 | A | 98.4 | Very high | 97.8 | Very high | 39 Ų | 39 | 106 Ų | 106 | 32% | 0.322 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -32.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K96 L98 R104 | K96-A100 VanDerWaalsContact O-CB 3.23Å; K96-A100 WeakPolarHBondContact O-CB 3.35Å; K96-A100 PolarHBondContact O-N 2.99Å; L98-A100 PolarHBondContact O-N 3.28Å; A100-R104 WeakPolarHBondContact O-CG 3.45Å; A100-R104 PolarHBondContact O-N 3.4Å; A100-R104 PolarHBondContact O-NH1 3.42Å |
| 101 | A | 98.6 | Very high | 98 | Very high | 24 Ų | 24 | 106.3 Ų | 106.3 | 20% | 0.198 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -73.8 | -35.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | K97 L98 E99 R104 R105 | K97-A101 PolarHBondContact O-N 3.18Å; K97-A101 VanDerWaalsContact O-N 3.14Å; L98-A101 WeakPolarHBondContact O-CB 3.47Å; L98-A101 PolarHBondContact O-N 3.24Å; L98-A101 VanDerWaalsContact O-N 3.08Å; E99-A101 PolarHBondContact O-N 2.94Å; A101-R104 PolarHBondContact O-N 3.22Å; A101-R105 PolarHBondContact O-N 2.91Å; A101-R105 VanDerWaalsContact O-N 3.16Å |
| 102 | E | 98.5 | Very high | 98.1 | Very high | 79 Ų | 79 | 105.4 Ų | 105.4 | 37% | 0.369 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -46.1 | 173.1 | -168.2 | -176.7 | 153.6 | 0 | 0 | 112.2 | L98 E99 R104 R105 K106 | L98-E102 PolarHBondContact O-N 2.96Å; E99-E102 CarbonylContact O-C 3.58Å; E99-E102 WeakPolarHBondContact O-CA 3.43Å; E99-E102 WeakPolarHBondContact O-CB 3.44Å; E99-E102 PolarHBondContact O-N 2.93Å; E102-R104 VanDerWaalsContact C-N 3.27Å; E102-R104 PolarHBondContact O-N 2.93Å; E102-R105 WeakPolarHBondContact O-CA 3.22Å; E102-R105 WeakPolarHBondContact O-CB 3.47Å; E102-R105 PolarHBondContact O-N 3.41Å; E102-K106 PolarHBondContact O-N 2.89Å; E102-K106 WeakPolarHBondContact OE1-CE 3.4Å; E102-K106 IonicContact OE1-NZ 3.47Å; E102-K106 PolarHBondContact OE1-NZ 2.98Å |
| 103 | E | 98.4 | Very high | 98.2 | Very high | 105 Ų | 105 | 102.9 Ų | 102.9 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.4 | -35.2 | 177.2 | -68.5 | -52.4 | 120 | 0 | 0 | 111.9 | E99 K106 Y107 | E99-E103 WeakPolarHBondContact O-CG 3.34Å; E99-E103 PolarHBondContact O-N 2.92Å; E103-K106 PolarHBondContact O-N 3.34Å; E103-K106 WeakPolarHBondContact OE1-CD 3.34Å; E103-K106 IonicContact OE1-NZ 3.57Å; E103-K106 PolarHBondContact OE1-NZ 3.3Å; E103-Y107 VanDerWaalsContact O-CB 3.3Å; E103-Y107 WeakPolarHBondContact O-CB 3.39Å; E103-Y107 PolarHBondContact O-N 3.28Å |
| 104 | R | 98.7 | Very high | 98.3 | Very high | 145 Ų | 145 | 102.7 Ų | 102.7 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 171.1 | -74.7 | -170.6 | -58.6 | -83 | 3.4 | 112.8 | A100 A101 E102 Q108 | A100-R104 WeakPolarHBondContact O-CG 3.45Å; A100-R104 PolarHBondContact O-N 3.4Å; A100-R104 PolarHBondContact O-NH1 3.42Å; A101-R104 PolarHBondContact O-N 3.22Å; E102-R104 VanDerWaalsContact C-N 3.27Å; E102-R104 PolarHBondContact O-N 2.93Å; R104-Q108 WeakPolarHBondContact O-CG 3.34Å; R104-Q108 PolarHBondContact O-N 3.41Å; R104-Q108 VanDerWaalsContact O-N 3.17Å |
| 105 | R | 98.5 | Very high | 98.4 | Very high | 144 Ų | 144 | 104.2 Ų | 104.2 | 54% | 0.543 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.2 | -48.1 | 174.8 | -71.7 | -170.8 | -61.2 | -87.9 | 1.4 | 111 | A101 E102 Y107 Q108 E109 | A101-R105 PolarHBondContact O-N 2.91Å; A101-R105 VanDerWaalsContact O-N 3.16Å; E102-R105 WeakPolarHBondContact O-CA 3.22Å; E102-R105 WeakPolarHBondContact O-CB 3.47Å; E102-R105 PolarHBondContact O-N 3.41Å; R105-Y107 VanDerWaalsContact C-N 3.29Å; R105-Y107 PolarHBondContact O-N 2.91Å; R105-Q108 PolarHBondContact O-N 3.37Å; R105-E109 PolarHBondContact O-N 2.84Å |
| 106 | K | 98.6 | Very high | 98.4 | Very high | 91 Ų | 91 | 103.3 Ų | 103.3 | 40% | 0.396 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.7 | -40.6 | 176.9 | -72.2 | 177.5 | -173.3 | 154.6 | 0 | 111.9 | E102 E103 E109 A110 | E102-K106 PolarHBondContact O-N 2.89Å; E102-K106 WeakPolarHBondContact OE1-CE 3.4Å; E102-K106 IonicContact OE1-NZ 3.47Å; E102-K106 PolarHBondContact OE1-NZ 2.98Å; E103-K106 PolarHBondContact O-N 3.34Å; E103-K106 WeakPolarHBondContact OE1-CD 3.34Å; E103-K106 IonicContact OE1-NZ 3.57Å; E103-K106 PolarHBondContact OE1-NZ 3.3Å; K106-E109 PolarHBondContact O-N 2.91Å; K106-A110 VanDerWaalsContact O-CB 3.27Å; K106-A110 WeakPolarHBondContact O-CB 3.31Å; K106-A110 PolarHBondContact O-N 3.35Å |
| 107 | Y | 98.5 | Very high | 98.4 | Very high | 148 Ų | 148 | 98.9 Ų | 98.9 | 58% | 0.58 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62 | -47.2 | 176.4 | 178.9 | -100.3 | 0 | 0 | 0 | 112 | E103 R105 E109 A110 E111 | E103-Y107 VanDerWaalsContact O-CB 3.3Å; E103-Y107 WeakPolarHBondContact O-CB 3.39Å; E103-Y107 PolarHBondContact O-N 3.28Å; R105-Y107 VanDerWaalsContact C-N 3.29Å; R105-Y107 PolarHBondContact O-N 2.91Å; Y107-E109 VanDerWaalsContact C-N 3.33Å; Y107-E109 PolarHBondContact O-N 3.34Å; Y107-A110 PolarHBondContact O-N 3.47Å; Y107-E111 HydrophobicContact CD1-CG 4.36Å; Y107-E111 HydrophobicContact CE1-CG 3.86Å; Y107-E111 HydrophobicContact CE2-CG 4.05Å; Y107-E111 WeakPolarHBondContact O-CG 3.39Å; Y107-E111 PolarHBondContact O-N 3.45Å |
| 108 | Q | 98.5 | Very high | 98.5 | Very high | 133 Ų | 133 | 95.7 Ų | 95.7 | 62% | 0.621 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.1 | -41.2 | 177.2 | -71.3 | 173.1 | -0.8 | 0 | 0 | 112.1 | R104 R105 L112 | R104-Q108 WeakPolarHBondContact O-CG 3.34Å; R104-Q108 PolarHBondContact O-N 3.41Å; R104-Q108 VanDerWaalsContact O-N 3.17Å; R105-Q108 PolarHBondContact O-N 3.37Å; Q108-L112 WeakPolarHBondContact O-CB 3.33Å; Q108-L112 PolarHBondContact O-N 2.89Å |
| 109 | E | 98.1 | Very high | 98.5 | Very high | 119 Ų | 119 | 96 Ų | 96 | 56% | 0.556 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.4 | -43.8 | 175.4 | -174.3 | 176.8 | 174 | 0 | 0 | 111.7 | R105 K106 Y107 E111 L112 L113 | R105-E109 PolarHBondContact O-N 2.84Å; K106-E109 PolarHBondContact O-N 2.91Å; Y107-E109 VanDerWaalsContact C-N 3.33Å; Y107-E109 PolarHBondContact O-N 3.34Å; E109-E111 PolarHBondContact O-N 3.03Å; E109-L112 WeakPolarHBondContact O-CB 3.08Å; E109-L112 PolarHBondContact O-N 3.28Å; E109-L113 HydrophobicContact CG-CD1 4.19Å; E109-L113 HydrophobicContact CG-CG 4.48Å; E109-L113 WeakPolarHBondContact O-CB 2.92Å; E109-L113 VanDerWaalsContact O-CG 3.31Å; E109-L113 WeakPolarHBondContact O-CG 3.44Å; E109-L113 PolarHBondContact O-N 3.27Å |
| 110 | A | 98.5 | Very high | 98.5 | Very high | 51 Ų | 51 | 95.2 Ų | 95.2 | 42% | 0.421 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | K106 Y107 L113 K114 | K106-A110 VanDerWaalsContact O-CB 3.27Å; K106-A110 WeakPolarHBondContact O-CB 3.31Å; K106-A110 PolarHBondContact O-N 3.35Å; Y107-A110 PolarHBondContact O-N 3.47Å; A110-L113 PolarHBondContact O-N 2.87Å; A110-K114 VanDerWaalsContact O-CB 3.3Å; A110-K114 WeakPolarHBondContact O-CB 3.47Å; A110-K114 PolarHBondContact O-N 3.44Å |
| 111 | E | 98.5 | Very high | 98.5 | Very high | 60 Ų | 60 | 97.5 Ų | 97.5 | 28% | 0.28 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 175 | -71.7 | -62.8 | 118.8 | 0 | 0 | 111.5 | Y107 E109 K114 H115 | Y107-E111 HydrophobicContact CD1-CG 4.36Å; Y107-E111 HydrophobicContact CE1-CG 3.86Å; Y107-E111 HydrophobicContact CE2-CG 4.05Å; Y107-E111 WeakPolarHBondContact O-CG 3.39Å; Y107-E111 PolarHBondContact O-N 3.45Å; E109-E111 PolarHBondContact O-N 3.03Å; E111-K114 PolarHBondContact O-N 2.92Å; E111-H115 PolarHBondContact O-CD2 3.39Å; E111-H115 VanDerWaalsContact O-CD2 3.24Å; E111-H115 PolarHBondContact O-N 3.48Å |
| 112 | L | 98.4 | Very high | 98.5 | Very high | 104 Ų | 104 | 101.5 Ų | 101.5 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 173.8 | 176.7 | 62.3 | 0 | 0 | 0 | 111.7 | Q108 E109 K114 H115 L116 | Q108-L112 WeakPolarHBondContact O-CB 3.33Å; Q108-L112 PolarHBondContact O-N 2.89Å; E109-L112 WeakPolarHBondContact O-CB 3.08Å; E109-L112 PolarHBondContact O-N 3.28Å; L112-K114 VanDerWaalsContact C-N 3.32Å; L112-K114 PolarHBondContact O-N 3.38Å; L112-H115 PolarHBondContact O-N 3.45Å; L112-L116 HydrophobicContact CD1-CD1 4.42Å; L112-L116 HydrophobicContact CD1-CG 4.44Å; L112-L116 HydrophobicContact CG-CD1 4.24Å; L112-L116 WeakPolarHBondContact O-CG 3.37Å; L112-L116 PolarHBondContact O-N 3.45Å |
| 113 | L | 98.5 | Very high | 98.4 | Very high | 99 Ų | 99 | 101.4 Ų | 101.4 | 52% | 0.518 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 178.2 | -71.8 | 175.7 | 0 | 0 | 0 | 111.8 | E109 A110 L116 A117 | E109-L113 HydrophobicContact CG-CD1 4.19Å; E109-L113 HydrophobicContact CG-CG 4.48Å; E109-L113 WeakPolarHBondContact O-CB 2.92Å; E109-L113 VanDerWaalsContact O-CG 3.31Å; E109-L113 WeakPolarHBondContact O-CG 3.44Å; E109-L113 PolarHBondContact O-N 3.27Å; A110-L113 PolarHBondContact O-N 2.87Å; L113-L116 PolarHBondContact O-N 3.06Å; L113-A117 WeakPolarHBondContact O-CB 3.47Å; L113-A117 PolarHBondContact O-N 3.3Å |
| 114 | K | 98.5 | Very high | 98.4 | Very high | 104 Ų | 104 | 102.4 Ų | 102.4 | 45% | 0.452 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.4 | -50.3 | 173.3 | 177.8 | -172.9 | 169.1 | -166.7 | 0 | 111.2 | A110 E111 L112 L116 A117 E118 | A110-K114 VanDerWaalsContact O-CB 3.3Å; A110-K114 WeakPolarHBondContact O-CB 3.47Å; A110-K114 PolarHBondContact O-N 3.44Å; E111-K114 PolarHBondContact O-N 2.92Å; L112-K114 VanDerWaalsContact C-N 3.32Å; L112-K114 PolarHBondContact O-N 3.38Å; K114-L116 VanDerWaalsContact C-N 3.31Å; K114-L116 PolarHBondContact O-N 3.18Å; K114-A117 WeakPolarHBondContact O-CB 3.39Å; K114-A117 PolarHBondContact O-N 3.33Å; K114-A117 VanDerWaalsContact O-N 3.13Å; K114-E118 VanDerWaalsContact CE-OE1 3.24Å; K114-E118 WeakPolarHBondContact CE-OE1 3.42Å; K114-E118 WeakPolarHBondContact O-CG 3.24Å; K114-E118 PolarHBondContact O-N 2.83Å |
| 115 | H | 98.4 | Very high | 98.4 | Very high | 109 Ų | 109 | 100.6 Ų | 100.6 | 51% | 0.505 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -36.9 | 176.6 | -75.4 | -47.8 | 0 | 0 | 0 | 113.2 | E111 L112 E118 K119 | E111-H115 PolarHBondContact O-CD2 3.39Å; E111-H115 VanDerWaalsContact O-CD2 3.24Å; E111-H115 PolarHBondContact O-N 3.48Å; L112-H115 PolarHBondContact O-N 3.45Å; H115-E118 IonicContact CE1-OE2 2.71Å; H115-E118 IonicContact CG-OE2 3.44Å; H115-E118 IonicContact ND1-OE2 3.5Å; H115-E118 PolarHBondContact ND1-OE2 3.27Å; H115-K119 PolarHBondContact O-N 3.34Å |
| 116 | L | 98.5 | Very high | 98.4 | Very high | 75 Ų | 75 | 97.4 Ų | 97.4 | 39% | 0.393 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 173.7 | -70.7 | 174.1 | 0 | 0 | 0 | 111.5 | L112 L113 K114 K119 R120 | L112-L116 HydrophobicContact CD1-CD1 4.42Å; L112-L116 HydrophobicContact CD1-CG 4.44Å; L112-L116 HydrophobicContact CG-CD1 4.24Å; L112-L116 WeakPolarHBondContact O-CG 3.37Å; L112-L116 PolarHBondContact O-N 3.45Å; L113-L116 PolarHBondContact O-N 3.06Å; K114-L116 VanDerWaalsContact C-N 3.31Å; K114-L116 PolarHBondContact O-N 3.18Å; L116-K119 PolarHBondContact O-N 3.45Å; L116-R120 WeakPolarHBondContact O-CG 3.41Å; L116-R120 PolarHBondContact O-N 3.24Å |
| 117 | A | 98.5 | Very high | 98.4 | Very high | 57 Ų | 57 | 98.3 Ų | 98.3 | 47% | 0.471 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L113 K114 K119 R120 E121 | L113-A117 WeakPolarHBondContact O-CB 3.47Å; L113-A117 PolarHBondContact O-N 3.3Å; K114-A117 WeakPolarHBondContact O-CB 3.39Å; K114-A117 PolarHBondContact O-N 3.33Å; K114-A117 VanDerWaalsContact O-N 3.13Å; A117-K119 VanDerWaalsContact C-N 3.31Å; A117-K119 PolarHBondContact O-N 2.97Å; A117-R120 PolarHBondContact O-N 3.03Å; A117-R120 VanDerWaalsContact O-N 3.16Å; A117-E121 PolarHBondContact O-N 3.48Å |
| 118 | E | 98.4 | Very high | 98.4 | Very high | 96 Ų | 96 | 97.4 Ų | 97.4 | 45% | 0.449 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.2 | -44.8 | 172.7 | -71.5 | 166.7 | 177.8 | 0 | 0 | 111.1 | K114 H115 R120 E121 H122 | K114-E118 VanDerWaalsContact CE-OE1 3.24Å; K114-E118 WeakPolarHBondContact CE-OE1 3.42Å; K114-E118 WeakPolarHBondContact O-CG 3.24Å; K114-E118 PolarHBondContact O-N 2.83Å; H115-E118 IonicContact CE1-OE2 2.71Å; H115-E118 IonicContact CG-OE2 3.44Å; H115-E118 IonicContact ND1-OE2 3.5Å; H115-E118 PolarHBondContact ND1-OE2 3.27Å; E118-R120 PolarHBondContact O-N 3.47Å; E118-E121 PolarHBondContact O-N 2.87Å; E118-H122 PolarHBondContact O-N 3.05Å |
| 119 | K | 98.5 | Very high | 98.4 | Very high | 119 Ų | 119 | 97 Ų | 97 | 52% | 0.517 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 176.2 | -173.5 | 175.6 | 178.2 | 176.4 | 0 | 112.8 | H115 L116 A117 H122 E123 | H115-K119 PolarHBondContact O-N 3.34Å; L116-K119 PolarHBondContact O-N 3.45Å; A117-K119 VanDerWaalsContact C-N 3.31Å; A117-K119 PolarHBondContact O-N 2.97Å; K119-H122 PolarHBondContact O-N 3.21Å; K119-E123 WeakPolarHBondContact O-CG 3.38Å; K119-E123 PolarHBondContact O-N 3.22Å |
| 120 | R | 98.4 | Very high | 98.4 | Very high | 99 Ų | 99 | 94.1 Ų | 94.1 | 37% | 0.374 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 175.5 | -68.2 | -61.7 | 91.4 | 81.4 | -6.5 | 112.1 | L116 A117 E118 E123 R124 | L116-R120 WeakPolarHBondContact O-CG 3.41Å; L116-R120 PolarHBondContact O-N 3.24Å; A117-R120 PolarHBondContact O-N 3.03Å; A117-R120 VanDerWaalsContact O-N 3.16Å; E118-R120 PolarHBondContact O-N 3.47Å; R120-E123 IonicContact CZ-OE1 2.72Å; R120-E123 IonicContact CZ-OE2 2.87Å; R120-E123 IonicContact NE-OE1 3.47Å; R120-E123 PolarHBondContact NE-OE1 3.01Å; R120-E123 IonicContact NE-OE2 2.8Å; R120-E123 PolarHBondContact NE-OE2 2.71Å; R120-E123 IonicContact NH2-OE1 3.52Å; R120-E123 PolarHBondContact NH2-OE1 3.24Å; R120-E123 IonicContact NH2-OE2 3.9Å; R120-E123 PolarHBondContact NH2-OE2 3.39Å; R120-R124 PolarHBondContact O-N 3.44Å; R120-R124 PolarHBondContact O-NH1 3.23Å |
| 121 | E | 98 | Very high | 98.4 | Very high | 86 Ų | 86 | 96.1 Ų | 96.1 | 40% | 0.402 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 173.9 | -167.6 | 64.5 | -101.7 | 0 | 0 | 110.6 | A117 E118 E123 R124 E125 | A117-E121 PolarHBondContact O-N 3.48Å; E118-E121 PolarHBondContact O-N 2.87Å; E121-E123 VanDerWaalsContact C-N 3.28Å; E121-E123 PolarHBondContact O-N 2.64Å; E121-R124 WeakPolarHBondContact O-CA 3.46Å; E121-R124 WeakPolarHBondContact O-CB 3.38Å; E121-R124 PolarHBondContact O-N 2.98Å; E121-R124 IonicContact OE1-CZ 3.86Å; E121-R124 IonicContact OE1-NE 3.99Å; E121-R124 PolarHBondContact OE1-NE 3.47Å; E121-R124 IonicContact OE1-NH2 3.01Å; E121-R124 PolarHBondContact OE1-NH2 2.91Å; E121-R124 IonicContact OE2-CZ 2.9Å; E121-R124 IonicContact OE2-NE 3.09Å; E121-R124 IonicContact OE2-NH2 3.76Å; E121-R124 PolarHBondContact OE2-NH2 3.41Å; E121-E125 WeakPolarHBondContact O-CG 3.24Å; E121-E125 PolarHBondContact O-N 3.29Å |
| 122 | H | 98.7 | Very high | 98.4 | Very high | 108 Ų | 108 | 98.5 Ų | 98.5 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.6 | -40.5 | 176.4 | -176.6 | 57.5 | 0 | 0 | 0 | 112.8 | E118 K119 R124 E125 V126 | E118-H122 PolarHBondContact O-N 3.05Å; K119-H122 PolarHBondContact O-N 3.21Å; H122-R124 VanDerWaalsContact C-N 3.33Å; H122-R124 PolarHBondContact O-N 2.91Å; H122-E125 IonicContact ND1-OE2 3.55Å; H122-E125 PolarHBondContact O-N 2.99Å; H122-V126 VanDerWaalsContact O-CG2 3.28Å; H122-V126 WeakPolarHBondContact O-CG2 3.28Å; H122-V126 PolarHBondContact O-N 2.92Å |
| 123 | E | 97.9 | Very high | 98.4 | Very high | 77 Ų | 77 | 99 Ų | 99 | 36% | 0.36 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 174.5 | -73.4 | 165 | -169 | 0 | 0 | 112.3 | K119 R120 E121 I127 | K119-E123 WeakPolarHBondContact O-CG 3.38Å; K119-E123 PolarHBondContact O-N 3.22Å; R120-E123 IonicContact CZ-OE1 2.72Å; R120-E123 IonicContact CZ-OE2 2.87Å; R120-E123 IonicContact NE-OE1 3.47Å; R120-E123 PolarHBondContact NE-OE1 3.01Å; R120-E123 IonicContact NE-OE2 2.8Å; R120-E123 PolarHBondContact NE-OE2 2.71Å; R120-E123 IonicContact NH2-OE1 3.52Å; R120-E123 PolarHBondContact NH2-OE1 3.24Å; R120-E123 IonicContact NH2-OE2 3.9Å; R120-E123 PolarHBondContact NH2-OE2 3.39Å; E121-E123 VanDerWaalsContact C-N 3.28Å; E121-E123 PolarHBondContact O-N 2.64Å; E123-I127 WeakPolarHBondContact O-CG1 3.35Å; E123-I127 PolarHBondContact O-N 3.38Å |
| 124 | R | 98.5 | Very high | 98.4 | Very high | 127 Ų | 127 | 98.5 Ų | 98.5 | 48% | 0.479 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 174.4 | -72.8 | -172.9 | -71 | -87.7 | 10.8 | 111.8 | R120 E121 H122 V126 I127 Q128 | R120-R124 PolarHBondContact O-N 3.44Å; R120-R124 PolarHBondContact O-NH1 3.23Å; E121-R124 WeakPolarHBondContact O-CA 3.46Å; E121-R124 WeakPolarHBondContact O-CB 3.38Å; E121-R124 PolarHBondContact O-N 2.98Å; E121-R124 IonicContact OE1-CZ 3.86Å; E121-R124 IonicContact OE1-NE 3.99Å; E121-R124 PolarHBondContact OE1-NE 3.47Å; E121-R124 IonicContact OE1-NH2 3.01Å; E121-R124 PolarHBondContact OE1-NH2 2.91Å; E121-R124 IonicContact OE2-CZ 2.9Å; E121-R124 IonicContact OE2-NE 3.09Å; E121-R124 IonicContact OE2-NH2 3.76Å; E121-R124 PolarHBondContact OE2-NH2 3.41Å; H122-R124 VanDerWaalsContact C-N 3.33Å; H122-R124 PolarHBondContact O-N 2.91Å; R124-V126 VanDerWaalsContact C-N 3.3Å; R124-V126 PolarHBondContact O-N 3.02Å; R124-I127 PolarHBondContact O-N 2.89Å; R124-Q128 WeakPolarHBondContact O-CB 3.37Å; R124-Q128 PolarHBondContact O-N 3.13Å |
| 125 | E | 98.4 | Very high | 98.4 | Very high | 106 Ų | 106 | 97.7 Ų | 97.7 | 50% | 0.495 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58 | -42.6 | 178.2 | -70.6 | 174.7 | 173.6 | 0 | 0 | 111.6 | E121 H122 Q128 K129 | E121-E125 WeakPolarHBondContact O-CG 3.24Å; E121-E125 PolarHBondContact O-N 3.29Å; H122-E125 IonicContact ND1-OE2 3.55Å; H122-E125 PolarHBondContact O-N 2.99Å; E125-Q128 PolarHBondContact O-N 3.31Å; E125-K129 VanDerWaalsContact O-CB 3.24Å; E125-K129 WeakPolarHBondContact O-CB 3.47Å; E125-K129 PolarHBondContact O-N 3.42Å |
| 126 | V | 98.7 | Very high | 98.4 | Very high | 77 Ų | 77 | 95.9 Ų | 95.9 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 177.7 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | H122 R124 K129 A130 | H122-V126 VanDerWaalsContact O-CG2 3.28Å; H122-V126 WeakPolarHBondContact O-CG2 3.28Å; H122-V126 PolarHBondContact O-N 2.92Å; R124-V126 VanDerWaalsContact C-N 3.3Å; R124-V126 PolarHBondContact O-N 3.02Å; V126-K129 PolarHBondContact O-N 3.33Å; V126-A130 PolarHBondContact O-N 2.85Å |
| 127 | I | 97.9 | Very high | 98.4 | Very high | 110 Ų | 110 | 98.7 Ų | 98.7 | 56% | 0.564 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.6 | -44.7 | 178 | -65.7 | 170.1 | 0 | 0 | 0 | 110.4 | E123 R124 K129 A130 I131 | E123-I127 WeakPolarHBondContact O-CG1 3.35Å; E123-I127 PolarHBondContact O-N 3.38Å; R124-I127 PolarHBondContact O-N 2.89Å; I127-K129 VanDerWaalsContact C-N 3.35Å; I127-K129 PolarHBondContact O-N 3.04Å; I127-A130 PolarHBondContact O-N 2.98Å; I127-I131 HydrophobicContact CG2-CD1 3.97Å; I127-I131 WeakPolarHBondContact O-CG1 3.36Å; I127-I131 PolarHBondContact O-N 2.72Å |
| 128 | Q | 98.4 | Very high | 98.4 | Very high | 130 Ų | 130 | 100.3 Ų | 100.3 | 61% | 0.607 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.5 | -44.1 | 178.6 | -175.1 | 173.9 | 11.3 | 0 | 0 | 111.5 | R124 E125 A130 I131 E132 | R124-Q128 WeakPolarHBondContact O-CB 3.37Å; R124-Q128 PolarHBondContact O-N 3.13Å; E125-Q128 PolarHBondContact O-N 3.31Å; Q128-A130 PolarHBondContact O-N 3.42Å; Q128-I131 PolarHBondContact O-N 3.47Å; Q128-E132 WeakPolarHBondContact O-CB 3.3Å; Q128-E132 PolarHBondContact O-N 3.5Å |
| 129 | K | 98.6 | Very high | 98.4 | Very high | 123 Ų | 123 | 101.3 Ų | 101.3 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 176.5 | -175.8 | 177.1 | 177.8 | -178.3 | 0 | 111.9 | E125 V126 I127 I131 E132 E133 | E125-K129 VanDerWaalsContact O-CB 3.24Å; E125-K129 WeakPolarHBondContact O-CB 3.47Å; E125-K129 PolarHBondContact O-N 3.42Å; V126-K129 PolarHBondContact O-N 3.33Å; I127-K129 VanDerWaalsContact C-N 3.35Å; I127-K129 PolarHBondContact O-N 3.04Å; K129-I131 VanDerWaalsContact C-N 3.33Å; K129-I131 PolarHBondContact O-N 3.16Å; K129-E132 PolarHBondContact O-N 3.44Å; K129-E133 WeakPolarHBondContact CE-OE1 3.37Å; K129-E133 HydrophobicContact CG-CG 4.46Å; K129-E133 WeakPolarHBondContact O-CB 3.33Å; K129-E133 WeakPolarHBondContact O-CG 3.44Å; K129-E133 PolarHBondContact O-N 3.4Å |
| 130 | A | 98.3 | Very high | 98.4 | Very high | 59 Ų | 59 | 101.2 Ų | 101.2 | 49% | 0.488 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V126 I127 Q128 N134 | V126-A130 PolarHBondContact O-N 2.85Å; I127-A130 PolarHBondContact O-N 2.98Å; Q128-A130 PolarHBondContact O-N 3.42Å; A130-N134 PolarHBondContact O-N 2.83Å |
| 131 | I | 98.4 | Very high | 98.4 | Very high | 94 Ų | 94 | 98.8 Ų | 98.8 | 48% | 0.482 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -44.7 | 175.2 | -67.5 | 167.2 | 0 | 0 | 0 | 110.7 | I127 Q128 K129 N134 N135 | I127-I131 HydrophobicContact CG2-CD1 3.97Å; I127-I131 WeakPolarHBondContact O-CG1 3.36Å; I127-I131 PolarHBondContact O-N 2.72Å; Q128-I131 PolarHBondContact O-N 3.47Å; K129-I131 VanDerWaalsContact C-N 3.33Å; K129-I131 PolarHBondContact O-N 3.16Å; I131-N134 PolarHBondContact O-N 2.85Å; I131-N135 WeakPolarHBondContact O-CB 3.46Å; I131-N135 PolarHBondContact O-N 3.34Å; I131-N135 PolarHBondContact O-ND2 2.93Å |
| 132 | E | 98.5 | Very high | 98.5 | Very high | 110 Ų | 110 | 102.3 Ų | 102.3 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | -179.9 | -176.7 | 170.2 | -164.6 | 0 | 0 | 112.1 | Q128 K129 N134 N135 N136 | Q128-E132 WeakPolarHBondContact O-CB 3.3Å; Q128-E132 PolarHBondContact O-N 3.5Å; K129-E132 PolarHBondContact O-N 3.44Å; E132-N134 PolarHBondContact O-N 3.28Å; E132-N135 PolarHBondContact O-N 3.46Å; E132-N136 WeakPolarHBondContact O-CB 3.49Å; E132-N136 VanDerWaalsContact O-CG 3.24Å; E132-N136 PolarHBondContact O-N 3.02Å; E132-N136 PolarHBondContact O-ND2 3.39Å |
| 133 | E | 98.5 | Very high | 98.5 | Very high | 114 Ų | 114 | 102.2 Ų | 102.2 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 175.8 | -74.7 | 179.6 | -178.5 | 0 | 0 | 111.8 | K129 N136 F137 | K129-E133 WeakPolarHBondContact CE-OE1 3.37Å; K129-E133 HydrophobicContact CG-CG 4.46Å; K129-E133 WeakPolarHBondContact O-CB 3.33Å; K129-E133 WeakPolarHBondContact O-CG 3.44Å; K129-E133 PolarHBondContact O-N 3.4Å; E133-N136 PolarHBondContact O-N 3.33Å; E133-F137 PolarHBondContact O-N 2.96Å |
| 134 | N | 98.5 | Very high | 98.5 | Very high | 89 Ų | 89 | 104.8 Ų | 104.8 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 175.9 | -179.4 | 61.6 | 0 | 0 | 0 | 112.2 | A130 I131 E132 N136 F137 I138 | A130-N134 PolarHBondContact O-N 2.83Å; I131-N134 PolarHBondContact O-N 2.85Å; E132-N134 PolarHBondContact O-N 3.28Å; N134-N136 VanDerWaalsContact C-N 3.34Å; N134-N136 PolarHBondContact O-N 2.82Å; N134-F137 WeakPolarHBondContact O-CB 3.49Å; N134-F137 PolarHBondContact O-N 3.21Å; N134-I138 WeakPolarHBondContact O-CG1 3.35Å; N134-I138 PolarHBondContact O-N 2.96Å |
| 135 | N | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 103.9 Ų | 103.9 | 47% | 0.465 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 176.9 | -71.7 | -19.4 | 0 | 0 | 0 | 111.6 | I131 E132 I138 K139 | I131-N135 WeakPolarHBondContact O-CB 3.46Å; I131-N135 PolarHBondContact O-N 3.34Å; I131-N135 PolarHBondContact O-ND2 2.93Å; E132-N135 PolarHBondContact O-N 3.46Å; N135-I138 PolarHBondContact O-N 2.95Å; N135-K139 WeakPolarHBondContact O-CB 3.31Å; N135-K139 PolarHBondContact O-N 3.25Å |
| 136 | N | 98.5 | Very high | 98.5 | Very high | 70 Ų | 70 | 101.7 Ų | 101.7 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 175.7 | -75.3 | -25.2 | 0 | 0 | 0 | 111.6 | E132 E133 N134 K139 M140 | E132-N136 WeakPolarHBondContact O-CB 3.49Å; E132-N136 VanDerWaalsContact O-CG 3.24Å; E132-N136 PolarHBondContact O-N 3.02Å; E132-N136 PolarHBondContact O-ND2 3.39Å; E133-N136 PolarHBondContact O-N 3.33Å; N134-N136 VanDerWaalsContact C-N 3.34Å; N134-N136 PolarHBondContact O-N 2.82Å; N136-K139 PolarHBondContact O-N 3.17Å; N136-M140 WeakPolarHBondContact O-CB 3.46Å; N136-M140 WeakPolarHBondContact O-CG 3.39Å; N136-M140 PolarHBondContact O-N 2.86Å |
| 137 | F | 98.6 | Very high | 98.5 | Very high | 135 Ų | 135 | 104.9 Ų | 104.9 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.2 | -48.5 | 173.5 | 177.3 | -100.2 | 0 | 0 | 0 | 111.7 | E133 N134 K139 M140 A141 | E133-F137 PolarHBondContact O-N 2.96Å; N134-F137 WeakPolarHBondContact O-CB 3.49Å; N134-F137 PolarHBondContact O-N 3.21Å; F137-K139 VanDerWaalsContact C-N 3.34Å; F137-K139 PolarHBondContact O-N 3.26Å; F137-M140 PolarHBondContact O-N 3.37Å; F137-A141 VanDerWaalsContact O-CB 3.31Å; F137-A141 WeakPolarHBondContact O-CB 3.3Å; F137-A141 PolarHBondContact O-N 3.45Å |
| 138 | I | 98.5 | Very high | 98.5 | Very high | 91 Ų | 91 | 106.1 Ų | 106.1 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 177.6 | -67 | 167.5 | 0 | 0 | 0 | 110.8 | N134 N135 A141 K142 | N134-I138 WeakPolarHBondContact O-CG1 3.35Å; N134-I138 PolarHBondContact O-N 2.96Å; N135-I138 PolarHBondContact O-N 2.95Å; I138-A141 PolarHBondContact O-N 2.87Å; I138-K142 WeakPolarHBondContact O-CB 3.27Å; I138-K142 PolarHBondContact O-N 3.16Å |
| 139 | K | 98.6 | Very high | 98.5 | Very high | 116 Ų | 116 | 105.3 Ų | 105.3 | 50% | 0.504 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.2 | -52.1 | 178.1 | -178.7 | -177.9 | 172.4 | -174.7 | 0 | 111.5 | N135 N136 F137 A141 K142 E143 | N135-K139 WeakPolarHBondContact O-CB 3.31Å; N135-K139 PolarHBondContact O-N 3.25Å; N136-K139 PolarHBondContact O-N 3.17Å; F137-K139 VanDerWaalsContact C-N 3.34Å; F137-K139 PolarHBondContact O-N 3.26Å; K139-A141 VanDerWaalsContact C-N 3.33Å; K139-A141 PolarHBondContact O-N 2.99Å; K139-K142 PolarHBondContact O-N 3.33Å; K139-E143 WeakPolarHBondContact CE-OE1 3.47Å; K139-E143 WeakPolarHBondContact CG-OE1 3.23Å; K139-E143 WeakPolarHBondContact O-CG 3.35Å; K139-E143 PolarHBondContact O-N 3.5Å |
| 140 | M | 98.6 | Very high | 98.5 | Very high | 118 Ų | 118 | 103.6 Ų | 103.6 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.4 | -40.9 | 178.7 | -72.4 | -172.4 | -66.3 | 0 | 0 | 112 | N136 F137 K144 | N136-M140 WeakPolarHBondContact O-CB 3.46Å; N136-M140 WeakPolarHBondContact O-CG 3.39Å; N136-M140 PolarHBondContact O-N 2.86Å; F137-M140 PolarHBondContact O-N 3.37Å; M140-K144 WeakPolarHBondContact O-CB 3.4Å; M140-K144 PolarHBondContact O-N 3.14Å |
| 141 | A | 98.5 | Very high | 98.5 | Very high | 48 Ų | 48 | 103.4 Ų | 103.4 | 40% | 0.397 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F137 I138 K139 L145 | F137-A141 VanDerWaalsContact O-CB 3.31Å; F137-A141 WeakPolarHBondContact O-CB 3.3Å; F137-A141 PolarHBondContact O-N 3.45Å; I138-A141 PolarHBondContact O-N 2.87Å; K139-A141 VanDerWaalsContact C-N 3.33Å; K139-A141 PolarHBondContact O-N 2.99Å; A141-L145 WeakPolarHBondContact O-CB 3.47Å; A141-L145 PolarHBondContact O-N 2.91Å |
| 142 | K | 98.5 | Very high | 98.5 | Very high | 160 Ų | 160 | 103.8 Ų | 103.8 | 70% | 0.696 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.8 | -47.8 | 176.8 | -175.4 | -179.8 | 179.4 | -178.4 | 0 | 111.9 | I138 K139 L145 A146 | I138-K142 WeakPolarHBondContact O-CB 3.27Å; I138-K142 PolarHBondContact O-N 3.16Å; K139-K142 PolarHBondContact O-N 3.33Å; K142-L145 PolarHBondContact O-N 3.02Å; K142-A146 WeakPolarHBondContact O-CB 3.06Å; K142-A146 PolarHBondContact O-N 3.21Å |
| 143 | E | 98.5 | Very high | 98.5 | Very high | 106 Ų | 106 | 103.1 Ų | 103.1 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 178.2 | -73.5 | 172 | -178.9 | 0 | 0 | 111.4 | K139 L145 A146 Q147 | K139-E143 WeakPolarHBondContact CE-OE1 3.47Å; K139-E143 WeakPolarHBondContact CG-OE1 3.23Å; K139-E143 WeakPolarHBondContact O-CG 3.35Å; K139-E143 PolarHBondContact O-N 3.5Å; E143-L145 VanDerWaalsContact C-N 3.33Å; E143-L145 PolarHBondContact O-N 2.82Å; E143-A146 PolarHBondContact O-N 2.87Å; E143-Q147 WeakPolarHBondContact O-CB 3.39Å; E143-Q147 PolarHBondContact O-N 2.8Å |
| 144 | K | 98.6 | Very high | 98.5 | Very high | 131 Ų | 131 | 103 Ų | 103 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.6 | -38.1 | 177.7 | -169.7 | 172.7 | -171.7 | 173.2 | 0 | 112.4 | M140 K148 | M140-K144 WeakPolarHBondContact O-CB 3.4Å; M140-K144 PolarHBondContact O-N 3.14Å; K144-K148 WeakPolarHBondContact O-CB 3.4Å; K144-K148 WeakPolarHBondContact O-CG 3.28Å; K144-K148 PolarHBondContact O-N 3.03Å; K144-K148 VanDerWaalsContact O-N 3.07Å |
| 145 | L | 98.7 | Very high | 98.5 | Very high | 107 Ų | 107 | 102.9 Ų | 102.9 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.4 | -48.1 | 174.9 | -179.5 | 60.2 | 0 | 0 | 0 | 110.8 | A141 K142 E143 Q147 K148 M149 | A141-L145 WeakPolarHBondContact O-CB 3.47Å; A141-L145 PolarHBondContact O-N 2.91Å; K142-L145 PolarHBondContact O-N 3.02Å; E143-L145 VanDerWaalsContact C-N 3.33Å; E143-L145 PolarHBondContact O-N 2.82Å; L145-Q147 VanDerWaalsContact C-N 3.33Å; L145-Q147 PolarHBondContact O-N 3.09Å; L145-K148 PolarHBondContact O-N 3.23Å; L145-M149 HydrophobicContact CD1-CG 4.24Å; L145-M149 HydrophobicContact CD1-SD 4.45Å; L145-M149 HydrophobicContact CG-CG 4.49Å; L145-M149 WeakPolarHBondContact O-CG 3.39Å; L145-M149 PolarHBondContact O-N 3.08Å |
| 146 | A | 98.6 | Very high | 98.5 | Very high | 61 Ų | 61 | 106.2 Ų | 106.2 | 50% | 0.504 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.2 | -46.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K142 E143 K148 M149 E150 | K142-A146 WeakPolarHBondContact O-CB 3.06Å; K142-A146 PolarHBondContact O-N 3.21Å; E143-A146 PolarHBondContact O-N 2.87Å; A146-K148 PolarHBondContact O-N 3.13Å; A146-M149 PolarHBondContact O-N 3.16Å; A146-E150 PolarHBondContact O-N 2.97Å |
| 147 | Q | 98.6 | Very high | 98.5 | Very high | 144 Ų | 144 | 107.8 Ų | 107.8 | 67% | 0.673 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.8 | -42.3 | 176.8 | -171.9 | -176.6 | 14.1 | 0 | 0 | 112.4 | E143 L145 M149 E150 S151 | E143-Q147 WeakPolarHBondContact O-CB 3.39Å; E143-Q147 PolarHBondContact O-N 2.8Å; L145-Q147 VanDerWaalsContact C-N 3.33Å; L145-Q147 PolarHBondContact O-N 3.09Å; Q147-M149 VanDerWaalsContact C-N 3.35Å; Q147-E150 PolarHBondContact O-N 3.13Å; Q147-S151 WeakPolarHBondContact O-CB 3.5Å; Q147-S151 PolarHBondContact O-N 3.03Å |
| 148 | K | 98.6 | Very high | 98.5 | Very high | 135 Ų | 135 | 104.1 Ų | 104.1 | 59% | 0.587 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.2 | -39.4 | 176.8 | -80.6 | -175.9 | 172.6 | -169.2 | 0 | 112.4 | K144 L145 A146 N152 | K144-K148 WeakPolarHBondContact O-CB 3.4Å; K144-K148 WeakPolarHBondContact O-CG 3.28Å; K144-K148 PolarHBondContact O-N 3.03Å; K144-K148 VanDerWaalsContact O-N 3.07Å; L145-K148 PolarHBondContact O-N 3.23Å; A146-K148 PolarHBondContact O-N 3.13Å; K148-N152 VanDerWaalsContact O-CB 3.32Å; K148-N152 WeakPolarHBondContact O-CB 3.41Å; K148-N152 PolarHBondContact O-N 3.44Å |
| 149 | M | 98.6 | Very high | 98.5 | Very high | 114 Ų | 114 | 106.5 Ų | 106.5 | 56% | 0.562 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.2 | -41.5 | 178.5 | -65.5 | -51.2 | -62.3 | 0 | 0 | 111.4 | L145 A146 Q147 N152 K153 | L145-M149 HydrophobicContact CD1-CG 4.24Å; L145-M149 HydrophobicContact CD1-SD 4.45Å; L145-M149 HydrophobicContact CG-CG 4.49Å; L145-M149 WeakPolarHBondContact O-CG 3.39Å; L145-M149 PolarHBondContact O-N 3.08Å; A146-M149 PolarHBondContact O-N 3.16Å; Q147-M149 VanDerWaalsContact C-N 3.35Å; M149-N152 PolarHBondContact O-N 2.89Å; M149-K153 WeakPolarHBondContact O-CB 3.46Å; M149-K153 PolarHBondContact O-N 3.48Å |
| 150 | E | 98.3 | Very high | 98.5 | Very high | 86 Ų | 86 | 104.5 Ų | 104.5 | 40% | 0.402 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 177.1 | -160.8 | 61.3 | -147.2 | 0 | 0 | 111.1 | A146 Q147 N152 K153 E154 | A146-E150 PolarHBondContact O-N 2.97Å; Q147-E150 PolarHBondContact O-N 3.13Å; E150-N152 VanDerWaalsContact C-N 3.29Å; E150-N152 PolarHBondContact O-N 2.84Å; E150-K153 WeakPolarHBondContact O-CB 3.41Å; E150-K153 PolarHBondContact O-N 3.09Å; E150-K153 VanDerWaalsContact O-N 3.11Å; E150-K153 IonicContact OE1-NZ 2.64Å; E150-K153 PolarHBondContact OE1-NZ 2.94Å; E150-K153 VanDerWaalsContact OE1-NZ 3.09Å; E150-E154 WeakPolarHBondContact O-CG 3.31Å; E150-E154 PolarHBondContact O-N 3.43Å |
| 151 | S | 98.4 | Very high | 98.5 | Very high | 55 Ų | 55 | 101.5 Ų | 101.5 | 39% | 0.385 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 175.1 | 178.7 | 0 | 0 | 0 | 0 | 112.3 | Q147 N155 | Q147-S151 WeakPolarHBondContact O-CB 3.5Å; Q147-S151 PolarHBondContact O-N 3.03Å; S151-N155 VanDerWaalsContact O-CB 3.3Å; S151-N155 WeakPolarHBondContact O-CB 3.45Å; S151-N155 PolarHBondContact O-N 3.35Å; S151-N155 PolarHBondContact O-ND2 2.9Å; S151-N155 VanDerWaalsContact O-ND2 3.1Å |
| 152 | N | 98.5 | Very high | 98.5 | Very high | 102 Ų | 102 | 100.8 Ų | 100.8 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 175.3 | -177.4 | -100.7 | 0 | 0 | 0 | 112.2 | K148 M149 E150 R156 | K148-N152 VanDerWaalsContact O-CB 3.32Å; K148-N152 WeakPolarHBondContact O-CB 3.41Å; K148-N152 PolarHBondContact O-N 3.44Å; M149-N152 PolarHBondContact O-N 2.89Å; E150-N152 VanDerWaalsContact C-N 3.29Å; E150-N152 PolarHBondContact O-N 2.84Å; N152-R156 WeakPolarHBondContact O-CB 3.44Å; N152-R156 PolarHBondContact O-N 3.38Å |
| 153 | K | 98.6 | Very high | 98.5 | Very high | 97 Ų | 97 | 98 Ų | 98 | 42% | 0.422 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -50.4 | 177.5 | 179.5 | -173.5 | 158.4 | -144.4 | 0 | 111.3 | M149 E150 N155 R156 E157 | M149-K153 WeakPolarHBondContact O-CB 3.46Å; M149-K153 PolarHBondContact O-N 3.48Å; E150-K153 WeakPolarHBondContact O-CB 3.41Å; E150-K153 PolarHBondContact O-N 3.09Å; E150-K153 VanDerWaalsContact O-N 3.11Å; E150-K153 IonicContact OE1-NZ 2.64Å; E150-K153 PolarHBondContact OE1-NZ 2.94Å; E150-K153 VanDerWaalsContact OE1-NZ 3.09Å; K153-N155 VanDerWaalsContact C-N 3.34Å; K153-N155 PolarHBondContact O-N 3.23Å; K153-R156 WeakPolarHBondContact O-CB 3.2Å; K153-R156 PolarHBondContact O-N 3.46Å; K153-R156 VanDerWaalsContact O-N 3.14Å; K153-E157 WeakPolarHBondContact CE-OE1 3.42Å; K153-E157 WeakPolarHBondContact CG-OE1 3.42Å; K153-E157 WeakPolarHBondContact O-CG 3.19Å; K153-E157 PolarHBondContact O-N 3.08Å |
| 154 | E | 98.3 | Very high | 98.4 | Very high | 110 Ų | 110 | 97.8 Ų | 97.8 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.9 | -45.8 | 176.2 | -71.8 | 176 | 173.5 | 0 | 0 | 111.6 | E150 R156 E157 A158 | E150-E154 WeakPolarHBondContact O-CG 3.31Å; E150-E154 PolarHBondContact O-N 3.43Å; E154-R156 VanDerWaalsContact C-N 3.35Å; E154-R156 PolarHBondContact O-N 3.03Å; E154-E157 PolarHBondContact O-N 3.47Å; E154-A158 WeakPolarHBondContact O-CB 3.33Å; E154-A158 PolarHBondContact O-N 3.09Å |
| 155 | N | 98.5 | Very high | 98.4 | Very high | 87 Ų | 87 | 97.1 Ų | 97.1 | 47% | 0.465 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 176.8 | -72.8 | -24 | 0 | 0 | 0 | 111.9 | S151 K153 A158 H159 | S151-N155 VanDerWaalsContact O-CB 3.3Å; S151-N155 WeakPolarHBondContact O-CB 3.45Å; S151-N155 PolarHBondContact O-N 3.35Å; S151-N155 PolarHBondContact O-ND2 2.9Å; S151-N155 VanDerWaalsContact O-ND2 3.1Å; K153-N155 VanDerWaalsContact C-N 3.34Å; K153-N155 PolarHBondContact O-N 3.23Å; N155-A158 PolarHBondContact O-N 3.1Å; N155-H159 PolarHBondContact O-CD2 3.14Å; N155-H159 PolarHBondContact O-N 3.18Å |
| 156 | R | 98.5 | Very high | 98.4 | Very high | 158 Ų | 158 | 98.6 Ų | 98.6 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.4 | -44.1 | 178.1 | -175 | 179 | -177.7 | -79.6 | -2.5 | 111.4 | N152 K153 E154 H159 L160 | N152-R156 WeakPolarHBondContact O-CB 3.44Å; N152-R156 PolarHBondContact O-N 3.38Å; K153-R156 WeakPolarHBondContact O-CB 3.2Å; K153-R156 PolarHBondContact O-N 3.46Å; K153-R156 VanDerWaalsContact O-N 3.14Å; E154-R156 VanDerWaalsContact C-N 3.35Å; E154-R156 PolarHBondContact O-N 3.03Å; R156-H159 PolarHBondContact O-N 3Å; R156-L160 HydrophobicContact CG-CD1 4.39Å; R156-L160 WeakPolarHBondContact O-CG 3.31Å; R156-L160 PolarHBondContact O-N 2.84Å |
| 157 | E | 98.4 | Very high | 98.3 | Very high | 102 Ų | 102 | 100 Ų | 100 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 176.8 | -72.9 | 174.7 | -174.2 | 0 | 0 | 111.1 | K153 E154 H159 L160 A161 | K153-E157 WeakPolarHBondContact CE-OE1 3.42Å; K153-E157 WeakPolarHBondContact CG-OE1 3.42Å; K153-E157 WeakPolarHBondContact O-CG 3.19Å; K153-E157 PolarHBondContact O-N 3.08Å; E154-E157 PolarHBondContact O-N 3.47Å; E157-H159 PolarHBondContact O-N 2.94Å; E157-L160 PolarHBondContact O-N 3.3Å; E157-A161 VanDerWaalsContact O-CB 3.29Å; E157-A161 WeakPolarHBondContact O-CB 3.46Å; E157-A161 PolarHBondContact O-N 3.42Å |
| 158 | A | 98.4 | Very high | 98.3 | Very high | 59 Ų | 59 | 98.5 Ų | 98.5 | 49% | 0.488 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E154 N155 A161 A162 | E154-A158 WeakPolarHBondContact O-CB 3.33Å; E154-A158 PolarHBondContact O-N 3.09Å; N155-A158 PolarHBondContact O-N 3.1Å; A158-A161 PolarHBondContact O-N 2.77Å; A158-A162 WeakPolarHBondContact O-CB 3.33Å; A158-A162 PolarHBondContact O-N 3.38Å |
| 159 | H | 98.4 | Very high | 98.2 | Very high | 141 Ų | 141 | 97.6 Ų | 97.6 | 65% | 0.653 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 176.1 | -79.1 | -55.7 | 0 | 0 | 0 | 112.8 | N155 R156 E157 M163 | N155-H159 PolarHBondContact O-CD2 3.14Å; N155-H159 PolarHBondContact O-N 3.18Å; R156-H159 PolarHBondContact O-N 3Å; E157-H159 PolarHBondContact O-N 2.94Å; H159-M163 WeakPolarHBondContact O-CB 3.32Å; H159-M163 PolarHBondContact O-N 3.15Å; H159-M163 VanDerWaalsContact O-N 3.09Å |
| 160 | L | 98.3 | Very high | 98.2 | Very high | 73 Ų | 73 | 99 Ų | 99 | 38% | 0.382 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.3 | -43.7 | 176.8 | -71.6 | 172.9 | 0 | 0 | 0 | 111.5 | R156 E157 M163 L164 | R156-L160 HydrophobicContact CG-CD1 4.39Å; R156-L160 WeakPolarHBondContact O-CG 3.31Å; R156-L160 PolarHBondContact O-N 2.84Å; E157-L160 PolarHBondContact O-N 3.3Å; L160-M163 WeakPolarHBondContact O-CB 3.33Å; L160-M163 PolarHBondContact O-N 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.47Å; L160-L164 PolarHBondContact O-N 3.01Å |
| 161 | A | 98.4 | Very high | 98.1 | Very high | 56 Ų | 56 | 100 Ų | 100 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E157 A158 M163 L164 E165 | E157-A161 VanDerWaalsContact O-CB 3.29Å; E157-A161 WeakPolarHBondContact O-CB 3.46Å; E157-A161 PolarHBondContact O-N 3.42Å; A158-A161 PolarHBondContact O-N 2.77Å; A161-M163 VanDerWaalsContact C-N 3.27Å; A161-M163 PolarHBondContact O-N 3.42Å; A161-L164 PolarHBondContact O-N 3.37Å; A161-E165 WeakPolarHBondContact O-CB 3.42Å; A161-E165 PolarHBondContact O-N 3.4Å |
| 162 | A | 98.3 | Very high | 98.1 | Very high | 33 Ų | 33 | 103.9 Ų | 103.9 | 27% | 0.273 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -33.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A158 R166 | A158-A162 WeakPolarHBondContact O-CB 3.33Å; A158-A162 PolarHBondContact O-N 3.38Å; A162-R166 WeakPolarHBondContact O-CG 3.46Å; A162-R166 VanDerWaalsContact O-CZ 3.29Å; A162-R166 PolarHBondContact O-N 3.28Å; A162-R166 PolarHBondContact O-NH1 3.13Å |
| 163 | M | 98.1 | Very high | 98 | Very high | 100 Ų | 100 | 104.2 Ų | 104.2 | 49% | 0.493 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.5 | -46.8 | 174.4 | -176.7 | -176.4 | -62.9 | 0 | 0 | 111.8 | H159 L160 A161 R166 L167 | H159-M163 WeakPolarHBondContact O-CB 3.32Å; H159-M163 PolarHBondContact O-N 3.15Å; H159-M163 VanDerWaalsContact O-N 3.09Å; L160-M163 WeakPolarHBondContact O-CB 3.33Å; L160-M163 PolarHBondContact O-N 3.3Å; A161-M163 VanDerWaalsContact C-N 3.27Å; A161-M163 PolarHBondContact O-N 3.42Å; M163-R166 PolarHBondContact O-N 3.43Å; M163-L167 WeakPolarHBondContact O-CG 3.39Å; M163-L167 PolarHBondContact O-N 3.44Å; M163-L167 VanDerWaalsContact O-N 3.17Å |
| 164 | L | 98 | Very high | 98 | Very high | 102 Ų | 102 | 101.2 Ų | 101.2 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 178.5 | -70.2 | 173.5 | 0 | 0 | 0 | 111.8 | L160 A161 L167 Q168 | L160-L164 WeakPolarHBondContact O-CG 3.47Å; L160-L164 PolarHBondContact O-N 3.01Å; A161-L164 PolarHBondContact O-N 3.37Å; L164-L167 PolarHBondContact O-N 3.25Å; L164-L167 VanDerWaalsContact O-N 3.16Å; L164-Q168 WeakPolarHBondContact O-CG 3.41Å; L164-Q168 PolarHBondContact O-N 3.16Å |
| 165 | E | 97.8 | Very high | 97.9 | Very high | 117 Ų | 117 | 101.3 Ų | 101.3 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 176.4 | -175.2 | 172.3 | -150.3 | 0 | 0 | 111.5 | A161 L167 Q168 E169 | A161-E165 WeakPolarHBondContact O-CB 3.42Å; A161-E165 PolarHBondContact O-N 3.4Å; E165-L167 VanDerWaalsContact C-N 3.28Å; E165-L167 PolarHBondContact O-N 3.39Å; E165-Q168 PolarHBondContact O-N 3.38Å; E165-E169 WeakPolarHBondContact O-CG 3.1Å; E165-E169 PolarHBondContact O-N 3.12Å |
| 166 | R | 98 | Very high | 97.8 | Very high | 138 Ų | 138 | 102.7 Ų | 102.7 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -36.3 | 174.4 | -73.1 | -171.5 | -58.9 | -85.7 | 3 | 112.9 | A162 M163 K170 | A162-R166 WeakPolarHBondContact O-CG 3.46Å; A162-R166 VanDerWaalsContact O-CZ 3.29Å; A162-R166 PolarHBondContact O-N 3.28Å; A162-R166 PolarHBondContact O-NH1 3.13Å; M163-R166 PolarHBondContact O-N 3.43Å; R166-K170 WeakPolarHBondContact O-CG 3.48Å; R166-K170 PolarHBondContact O-N 2.84Å |
| 167 | L | 97.8 | Very high | 97.7 | Very high | 91 Ų | 91 | 98.8 Ų | 98.8 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.2 | -43.8 | 176.2 | -70.5 | 171.6 | 0 | 0 | 0 | 111.3 | M163 L164 E165 E169 K170 D171 | M163-L167 WeakPolarHBondContact O-CG 3.39Å; M163-L167 PolarHBondContact O-N 3.44Å; M163-L167 VanDerWaalsContact O-N 3.17Å; L164-L167 PolarHBondContact O-N 3.25Å; L164-L167 VanDerWaalsContact O-N 3.16Å; E165-L167 VanDerWaalsContact C-N 3.28Å; E165-L167 PolarHBondContact O-N 3.39Å; L167-E169 VanDerWaalsContact C-N 3.32Å; L167-E169 PolarHBondContact O-N 3.16Å; L167-K170 WeakPolarHBondContact O-CA 3.43Å; L167-K170 WeakPolarHBondContact O-CB 3.49Å; L167-K170 PolarHBondContact O-N 3.27Å; L167-D171 PolarHBondContact O-N 2.97Å |
| 168 | Q | 97.2 | Very high | 97.6 | Very high | 113 Ų | 113 | 99.5 Ų | 99.5 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.8 | -37.2 | 176.2 | -73.5 | 177.3 | -4.9 | 0 | 0 | 112.4 | L164 E165 K170 D171 K172 | L164-Q168 WeakPolarHBondContact O-CG 3.41Å; L164-Q168 PolarHBondContact O-N 3.16Å; E165-Q168 PolarHBondContact O-N 3.38Å; Q168-K170 VanDerWaalsContact C-N 3.31Å; Q168-K170 PolarHBondContact O-N 3.37Å; Q168-D171 PolarHBondContact O-N 3.2Å; Q168-K172 WeakPolarHBondContact O-CG 3.26Å; Q168-K172 PolarHBondContact O-N 3.12Å |
| 169 | E | 97.3 | Very high | 97.5 | Very high | 115 Ų | 115 | 103 Ų | 103 | 54% | 0.537 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 171.9 | -76.3 | 179.7 | 175.5 | 0 | 0 | 112 | E165 L167 K172 H173 | E165-E169 WeakPolarHBondContact O-CG 3.1Å; E165-E169 PolarHBondContact O-N 3.12Å; L167-E169 VanDerWaalsContact C-N 3.32Å; L167-E169 PolarHBondContact O-N 3.16Å; E169-K172 PolarHBondContact O-N 3.29Å; E169-H173 WeakPolarHBondContact O-CB 3.42Å; E169-H173 PolarHBondContact O-N 2.74Å |
| 170 | K | 97.8 | Very high | 97.3 | Very high | 144 Ų | 144 | 100.5 Ų | 100.5 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.2 | -38.5 | 175 | -66 | -174 | 72.8 | 64.3 | 0 | 112.1 | R166 L167 Q168 H173 A174 | R166-K170 WeakPolarHBondContact O-CG 3.48Å; R166-K170 PolarHBondContact O-N 2.84Å; L167-K170 WeakPolarHBondContact O-CA 3.43Å; L167-K170 WeakPolarHBondContact O-CB 3.49Å; L167-K170 PolarHBondContact O-N 3.27Å; Q168-K170 VanDerWaalsContact C-N 3.31Å; Q168-K170 PolarHBondContact O-N 3.37Å; K170-H173 PolarHBondContact O-N 3.34Å; K170-A174 WeakPolarHBondContact O-CB 3.05Å; K170-A174 PolarHBondContact O-N 3.3Å |
| 171 | D | 97.1 | Very high | 97.2 | Very high | 108 Ų | 108 | 103.2 Ų | 103.2 | 58% | 0.578 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.5 | -43.8 | 176.6 | -68.3 | -20.5 | 0 | 0 | 0 | 111.4 | L167 Q168 H173 A174 E175 | L167-D171 PolarHBondContact O-N 2.97Å; Q168-D171 PolarHBondContact O-N 3.2Å; D171-H173 PolarHBondContact O-N 3.4Å; D171-A174 WeakPolarHBondContact O-CB 3.31Å; D171-A174 PolarHBondContact O-N 3.16Å; D171-A174 VanDerWaalsContact O-N 3.16Å; D171-E175 PolarHBondContact O-N 2.79Å |
| 172 | K | 97.6 | Very high | 97 | Very high | 136 Ų | 136 | 105.9 Ų | 105.9 | 59% | 0.591 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.2 | -46.7 | 172.6 | -73.5 | 176.5 | -176.3 | 174.6 | 0 | 111.4 | Q168 E169 A174 E175 E176 | Q168-K172 WeakPolarHBondContact O-CG 3.26Å; Q168-K172 PolarHBondContact O-N 3.12Å; E169-K172 PolarHBondContact O-N 3.29Å; K172-A174 VanDerWaalsContact C-N 3.29Å; K172-A174 PolarHBondContact O-N 3.01Å; K172-E175 PolarHBondContact O-N 3.11Å; K172-E176 WeakPolarHBondContact O-CG 3.49Å; K172-E176 PolarHBondContact O-N 3.22Å |
| 173 | H | 97.4 | Very high | 96.7 | Very high | 108 Ų | 108 | 108.6 Ų | 108.6 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 176.3 | -179.1 | 62.9 | 0 | 0 | 0 | 112 | E169 K170 D171 E175 E176 V177 | E169-H173 WeakPolarHBondContact O-CB 3.42Å; E169-H173 PolarHBondContact O-N 2.74Å; K170-H173 PolarHBondContact O-N 3.34Å; D171-H173 PolarHBondContact O-N 3.4Å; H173-E175 PolarHBondContact O-N 3.15Å; H173-E176 PolarHBondContact O-N 2.86Å; H173-V177 VanDerWaalsContact O-CG2 3.28Å; H173-V177 WeakPolarHBondContact O-CG2 3.49Å; H173-V177 PolarHBondContact O-N 2.82Å |
| 174 | A | 97.3 | Very high | 96.4 | Very high | 35 Ų | 35 | 111 Ų | 111 | 29% | 0.289 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K170 D171 K172 V177 R178 | K170-A174 WeakPolarHBondContact O-CB 3.05Å; K170-A174 PolarHBondContact O-N 3.3Å; D171-A174 WeakPolarHBondContact O-CB 3.31Å; D171-A174 PolarHBondContact O-N 3.16Å; D171-A174 VanDerWaalsContact O-N 3.16Å; K172-A174 VanDerWaalsContact C-N 3.29Å; K172-A174 PolarHBondContact O-N 3.01Å; A174-V177 PolarHBondContact O-N 2.77Å; A174-R178 PolarHBondContact O-N 2.93Å; A174-R178 VanDerWaalsContact O-N 3.07Å; A174-R178 PolarHBondContact O-NH1 3.21Å |
| 175 | E | 96.5 | Very high | 95.9 | Very high | 112 Ų | 112 | 111 Ų | 111 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 172.1 | -69.5 | -63.2 | 166.8 | 0 | 0 | 112.3 | D171 K172 H173 V177 R178 K179 | D171-E175 PolarHBondContact O-N 2.79Å; K172-E175 PolarHBondContact O-N 3.11Å; H173-E175 PolarHBondContact O-N 3.15Å; E175-V177 VanDerWaalsContact C-N 3.3Å; E175-V177 PolarHBondContact O-N 3.06Å; E175-R178 WeakPolarHBondContact O-CB 3.43Å; E175-R178 PolarHBondContact O-N 3.03Å; E175-R178 IonicContact OE1-CZ 3.37Å; E175-R178 IonicContact OE1-NE 2.64Å; E175-R178 IonicContact OE1-NH2 3.15Å; E175-R178 PolarHBondContact OE1-NH2 2.92Å; E175-R178 IonicContact OE2-CZ 3.89Å; E175-R178 IonicContact OE2-NE 3.49Å; E175-R178 PolarHBondContact OE2-NE 3.22Å; E175-R178 IonicContact OE2-NH2 3.58Å; E175-R178 PolarHBondContact OE2-NH2 2.79Å; E175-R178 VanDerWaalsContact OE2-NH2 3.15Å; E175-K179 WeakPolarHBondContact O-CB 3.39Å; E175-K179 PolarHBondContact O-N 3.36Å |
| 176 | E | 96.7 | Very high | 95.4 | Very high | 115 Ų | 115 | 111.7 Ų | 111.7 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 175.5 | -72.7 | 173.5 | -175.8 | 0 | 0 | 111.8 | K172 H173 K179 N180 | K172-E176 WeakPolarHBondContact O-CG 3.49Å; K172-E176 PolarHBondContact O-N 3.22Å; H173-E176 PolarHBondContact O-N 2.86Å; E176-K179 PolarHBondContact O-N 2.86Å; E176-N180 VanDerWaalsContact O-CB 3.27Å; E176-N180 WeakPolarHBondContact O-CB 3.37Å; E176-N180 VanDerWaalsContact O-CG 3.25Å; E176-N180 PolarHBondContact O-N 3.2Å; E176-N180 PolarHBondContact O-ND2 2.8Å |
| 177 | V | 97.1 | Very high | 94.9 | Very high | 77 Ų | 77 | 109.2 Ų | 109.2 | 47% | 0.467 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 175.7 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | H173 A174 E175 N180 K181 | H173-V177 VanDerWaalsContact O-CG2 3.28Å; H173-V177 WeakPolarHBondContact O-CG2 3.49Å; H173-V177 PolarHBondContact O-N 2.82Å; A174-V177 PolarHBondContact O-N 2.77Å; E175-V177 VanDerWaalsContact C-N 3.3Å; E175-V177 PolarHBondContact O-N 3.06Å; V177-N180 PolarHBondContact O-N 2.81Å; V177-K181 PolarHBondContact O-N 3.47Å |
| 178 | R | 96.2 | Very high | 94 | Very high | 116 Ų | 116 | 110 Ų | 110 | 44% | 0.438 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.3 | -50.5 | 174.4 | -78.4 | -173.4 | -75.7 | -82.6 | 17.1 | 111.6 | A174 E175 N180 K181 E182 | A174-R178 PolarHBondContact O-N 2.93Å; A174-R178 VanDerWaalsContact O-N 3.07Å; A174-R178 PolarHBondContact O-NH1 3.21Å; E175-R178 WeakPolarHBondContact O-CB 3.43Å; E175-R178 PolarHBondContact O-N 3.03Å; E175-R178 IonicContact OE1-CZ 3.37Å; E175-R178 IonicContact OE1-NE 2.64Å; E175-R178 IonicContact OE1-NH2 3.15Å; E175-R178 PolarHBondContact OE1-NH2 2.92Å; E175-R178 IonicContact OE2-CZ 3.89Å; E175-R178 IonicContact OE2-NE 3.49Å; E175-R178 PolarHBondContact OE2-NE 3.22Å; E175-R178 IonicContact OE2-NH2 3.58Å; E175-R178 PolarHBondContact OE2-NH2 2.79Å; E175-R178 VanDerWaalsContact OE2-NH2 3.15Å; R178-N180 VanDerWaalsContact C-N 3.34Å; R178-N180 PolarHBondContact O-N 2.8Å; R178-K181 WeakPolarHBondContact O-CB 3.4Å; R178-K181 PolarHBondContact O-N 3.49Å; R178-K181 VanDerWaalsContact O-N 3.1Å; R178-E182 PolarHBondContact O-N 3.04Å |
| 179 | K | 96.1 | Very high | 92.6 | Very high | 132 Ų | 132 | 117.8 Ų | 117.8 | 57% | 0.574 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.6 | -41.6 | 178.1 | -171.8 | 179.7 | -178.5 | -178.9 | 0 | 112.3 | E175 E176 K181 E182 L183 | E175-K179 WeakPolarHBondContact O-CB 3.39Å; E175-K179 PolarHBondContact O-N 3.36Å; E176-K179 PolarHBondContact O-N 2.86Å; K179-K181 VanDerWaalsContact C-N 3.29Å; K179-K181 PolarHBondContact O-N 3.42Å; K179-E182 PolarHBondContact O-N 3.33Å; K179-L183 HydrophobicContact CG-CD1 4.4Å; K179-L183 WeakPolarHBondContact O-CG 3.19Å; K179-L183 PolarHBondContact O-N 2.88Å |
| 180 | N | 95.4 | Very high | 92.4 | Very high | 89 Ų | 89 | 118 Ų | 118 | 48% | 0.476 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65 | -32.9 | 176.3 | -80.6 | -41.7 | 0 | 0 | 0 | 112.7 | E176 V177 R178 K184 | E176-N180 VanDerWaalsContact O-CB 3.27Å; E176-N180 WeakPolarHBondContact O-CB 3.37Å; E176-N180 VanDerWaalsContact O-CG 3.25Å; E176-N180 PolarHBondContact O-N 3.2Å; E176-N180 PolarHBondContact O-ND2 2.8Å; V177-N180 PolarHBondContact O-N 2.81Å; R178-N180 VanDerWaalsContact C-N 3.34Å; R178-N180 PolarHBondContact O-N 2.8Å; N180-K184 WeakPolarHBondContact O-CG 3.34Å; N180-K184 PolarHBondContact O-N 3.4Å |
| 181 | K | 95.1 | Very high | 92.1 | Very high | 130 Ų | 130 | 116.6 Ų | 116.6 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.5 | -47.3 | 174 | -178.7 | -179.1 | 168.9 | -175.6 | 0 | 110.8 | V177 R178 K179 L183 K184 E185 | V177-K181 PolarHBondContact O-N 3.47Å; R178-K181 WeakPolarHBondContact O-CB 3.4Å; R178-K181 PolarHBondContact O-N 3.49Å; R178-K181 VanDerWaalsContact O-N 3.1Å; K179-K181 VanDerWaalsContact C-N 3.29Å; K179-K181 PolarHBondContact O-N 3.42Å; K181-L183 PolarHBondContact O-N 3.14Å; K181-K184 PolarHBondContact O-N 3.07Å; K181-E185 WeakPolarHBondContact CE-OE1 2.96Å; K181-E185 IonicContact NZ-OE1 2.91Å; K181-E185 WeakPolarHBondContact O-CG 3.3Å; K181-E185 PolarHBondContact O-N 3.48Å |
| 182 | E | 93.3 | Very high | 91.8 | Very high | 113 Ų | 113 | 117.1 Ų | 117.1 | 53% | 0.528 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -57.1 | -48 | 176.6 | -69.6 | 169.8 | 179.5 | 0 | 0 | 111.8 | R178 K179 K184 E185 E186 | R178-E182 PolarHBondContact O-N 3.04Å; K179-E182 PolarHBondContact O-N 3.33Å; E182-K184 VanDerWaalsContact C-N 3.3Å; E182-K184 PolarHBondContact O-N 3.21Å; E182-E185 PolarHBondContact O-N 3.1Å; E182-E185 VanDerWaalsContact O-N 3.13Å; E182-E186 WeakPolarHBondContact O-CG 3.41Å; E182-E186 PolarHBondContact O-N 3.22Å |
| 183 | L | 92.4 | Very high | 91.5 | Very high | 89 Ų | 89 | 115.9 Ų | 115.9 | 47% | 0.466 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60 | -36 | 177.9 | -70.8 | 170.4 | 0 | 0 | 0 | 113.4 | K179 K181 A187 | K179-L183 HydrophobicContact CG-CD1 4.4Å; K179-L183 WeakPolarHBondContact O-CG 3.19Å; K179-L183 PolarHBondContact O-N 2.88Å; K181-L183 PolarHBondContact O-N 3.14Å; L183-A187 WeakPolarHBondContact O-CB 3.33Å; L183-A187 PolarHBondContact O-N 3.07Å |
| 184 | K | 91.7 | Very high | 91.1 | Very high | 152 Ų | 152 | 116.4 Ų | 116.4 | 66% | 0.661 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -72.8 | -36.8 | 176.5 | -74.3 | 176.3 | -179.8 | -178.6 | 0 | 112.2 | N180 K181 E182 S188 | N180-K184 WeakPolarHBondContact O-CG 3.34Å; N180-K184 PolarHBondContact O-N 3.4Å; K181-K184 PolarHBondContact O-N 3.07Å; E182-K184 VanDerWaalsContact C-N 3.3Å; E182-K184 PolarHBondContact O-N 3.21Å; K184-S188 WeakPolarHBondContact O-CB 3.28Å; K184-S188 PolarHBondContact O-N 3.07Å; K184-S188 PolarHBondContact O-OG 2.84Å |
| 185 | E | 89 | Confident | 90.7 | Very high | 100 Ų | 100 | 121.9 Ų | 121.9 | 47% | 0.467 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.8 | -38.2 | 175.9 | -72.4 | 179.2 | -175.5 | 0 | 0 | 111.4 | K181 E182 S188 | K181-E185 WeakPolarHBondContact CE-OE1 2.96Å; K181-E185 IonicContact NZ-OE1 2.91Å; K181-E185 WeakPolarHBondContact O-CG 3.3Å; K181-E185 PolarHBondContact O-N 3.48Å; E182-E185 PolarHBondContact O-N 3.1Å; E182-E185 VanDerWaalsContact O-N 3.13Å; E185-S188 PolarHBondContact O-N 3.07Å |
| 186 | E | 85.9 | Confident | 90.3 | Very high | 133 Ų | 133 | 122.6 Ų | 122.6 | 62% | 0.621 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.8 | -42.7 | 172.8 | -71.5 | 176.7 | 174.5 | 0 | 0 | 112.3 | E182 S188 R189 | E182-E186 WeakPolarHBondContact O-CG 3.41Å; E182-E186 PolarHBondContact O-N 3.22Å; E186-S188 PolarHBondContact O-N 2.96Å; E186-R189 PolarHBondContact O-N 3.4Å |
| 187 | A | 87.1 | Confident | 89.8 | Confident | 85 Ų | 85 | 123.2 Ų | 123.2 | 70% | 0.702 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.6 | -16.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L183 | L183-A187 WeakPolarHBondContact O-CB 3.33Å; L183-A187 PolarHBondContact O-N 3.07Å |
| 188 | S | 80.1 | Confident | 89.2 | Confident | 107 Ų | 107 | 127 Ų | 127 | 75% | 0.748 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -1.6 | 179.4 | -55 | 0 | 0 | 0 | 0 | 113.5 | K184 E185 E186 | K184-S188 WeakPolarHBondContact O-CB 3.28Å; K184-S188 PolarHBondContact O-N 3.07Å; K184-S188 PolarHBondContact O-OG 2.84Å; E185-S188 PolarHBondContact O-N 3.07Å; E186-S188 PolarHBondContact O-N 2.96Å |
| 189 | R | 67.7 | Low | 88.5 | Confident | 278 Ų | 278 | 128 Ų | 128 | 100% | 1.049 | 62% | 0.624 | S | S | * | * | trans | -95.6 | 0 | 173.1 | -76.1 | -175.5 | -175.6 | -172.6 | 4.3 | 111 | E186 | E186-R189 PolarHBondContact O-N 3.4Š|
Retrieved 189 of 189 residues in 244.7 ms
(Link to these results)