| 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 | 36.4 | Very low | 54.9 | Low | 238 Ų | 238 | 150.8 Ų | 150.8 | 100% | 1.172 | 76% | 0.758 | S | S | * | * | 0 | 105.8 | 0 | -79.1 | 163.2 | 85.6 | 0 | 0 | 108.3 | L3 | M1-L3 PolarHBondContact O-N 3.37Š| |||
| 2 | S | 38.6 | Very low | 56.7 | Low | 126 Ų | 126 | 143.3 Ų | 143.3 | 88% | 0.881 | 73% | 0.726 | S | S | * | * | trans | -84.8 | 105 | -178.7 | -54.2 | 0 | 0 | 0 | 0 | 109.4 | L4 | S2-L4 PolarHBondContact O-N 2.96Š| ||
| 3 | L | 41.5 | Very low | 58.7 | Low | 168 Ų | 168 | 138.9 Ų | 138.9 | 88% | 0.88 | 71% | 0.71 | S | S | * | * | trans | -60.3 | 118.4 | 175.3 | -75.8 | 157.3 | 0 | 0 | 0 | 109.7 | M1 R5 | M1-L3 PolarHBondContact O-N 3.37Å; L3-R5 PolarHBondContact O-N 3.47Å | ||
| 4 | L | 50.3 | Low | 60.4 | Low | 157 Ų | 157 | 135 Ų | 135 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | trans | -57 | 106.5 | 169.1 | -114.5 | 95 | 0 | 0 | 0 | 108.3 | S2 F6 | S2-L4 PolarHBondContact O-N 2.96Å; L4-F6 PolarHBondContact O-N 2.85Å | ||
| 5 | R | 47.6 | Very low | 61.9 | Low | 246 Ų | 246 | 131.7 Ų | 131.7 | 93% | 0.928 | 68% | 0.679 | S | S | * | * | trans | -72.7 | 95 | 178.5 | -149.8 | 174.3 | -167.2 | 178.6 | 3 | 108 | L3 | L3-R5 PolarHBondContact O-N 3.47Š| ||
| 6 | F | 56.2 | Low | 63.2 | Low | 166 Ų | 166 | 130.4 Ų | 130.4 | 73% | 0.728 | 67% | 0.673 | S | S | * | * | trans | -51.5 | 135.2 | 173.3 | -90.5 | -95 | 0 | 0 | 0 | 110.2 | L4 T8 | L4-F6 PolarHBondContact O-N 2.85Å; F6-T8 VanDerWaalsContact C-N 3.35Å; F6-T8 PolarHBondContact O-N 2.66Å | ||
| 7 | P | 57 | Low | 64.6 | Low | 73 Ų | 73 | 132.8 Ų | 132.8 | 47% | 0.474 | 67% | 0.671 | S | S | . | * | trans | -70.6 | 93.1 | 175.3 | 28.1 | -31.6 | 0 | 0 | 0 | 109.3 | S9 V12 | P7-S9 PolarHBondContact O-N 3.33Å; P7-S9 VanDerWaalsContact O-N 3.12Å; P7-V12 HydrophobicContact CB-CB 4.31Å; P7-V12 HydrophobicContact CB-CG1 4.06Å; P7-V12 HydrophobicContact CG-CG1 4.42Å | ||
| 8 | T | 57.7 | Low | 66 | Low | 136 Ų | 136 | 129.7 Ų | 129.7 | 83% | 0.834 | 66% | 0.656 | S | S | * | * | trans | -71.9 | 8.2 | 176 | 38.1 | 0 | 0 | 0 | 0 | 114.1 | F6 | F6-T8 VanDerWaalsContact C-N 3.35Å; F6-T8 PolarHBondContact O-N 2.66Å | ||
| 9 | S | 70.4 | Confident | 67.3 | Low | 64 Ų | 64 | 127.2 Ų | 127.2 | 45% | 0.448 | 65% | 0.648 | S | S | . | * | trans | -93.7 | 103.7 | 176 | -66.8 | 0 | 0 | 0 | 0 | 109 | P7 K11 V12 | P7-S9 PolarHBondContact O-N 3.33Å; P7-S9 VanDerWaalsContact O-N 3.12Å; S9-K11 PolarHBondContact O-N 2.72Å; S9-V12 WeakPolarHBondContact O-CB 3.14Å; S9-V12 PolarHBondContact O-N 3.26Å | ||
| 10 | Y | 76.9 | Confident | 68.4 | Low | 153 Ų | 153 | 129 Ų | 129 | 60% | 0.6 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -44.2 | -31.6 | 172.3 | 65.6 | -82.5 | 0 | 0 | 0 | 113.1 | V12 V13 I14 | Y10-V12 PolarHBondContact O-N 2.66Å; Y10-V13 PolarHBondContact O-N 3.47Å; Y10-I14 HydrophobicContact CD2-CD1 3.89Å; Y10-I14 WeakPolarHBondContact O-CB 3.43Å; Y10-I14 WeakPolarHBondContact O-CD1 3.43Å; Y10-I14 WeakPolarHBondContact O-CG1 3.04Å; Y10-I14 PolarHBondContact O-N 3.37Å |
| 11 | K | 70.9 | Confident | 69.5 | Low | 132 Ų | 132 | 127.5 Ų | 127.5 | 57% | 0.574 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -56.1 | -43.9 | 172.8 | -64.7 | -179.6 | 178.4 | 170.8 | 0 | 113.1 | S9 I14 T15 | S9-K11 PolarHBondContact O-N 2.72Å; K11-I14 PolarHBondContact O-N 3.27Å; K11-T15 PolarHBondContact O-N 2.92Å; K11-T15 PolarHBondContact O-OG1 2.99Å |
| 12 | V | 76.9 | Confident | 72 | Confident | 61 Ų | 61 | 123.8 Ų | 123.8 | 37% | 0.37 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.1 | -42 | 179.5 | 178 | 0 | 0 | 0 | 0 | 110.5 | P7 S9 Y10 T15 L16 | P7-V12 HydrophobicContact CB-CB 4.31Å; P7-V12 HydrophobicContact CB-CG1 4.06Å; P7-V12 HydrophobicContact CG-CG1 4.42Å; S9-V12 WeakPolarHBondContact O-CB 3.14Å; S9-V12 PolarHBondContact O-N 3.26Å; Y10-V12 PolarHBondContact O-N 2.66Å; V12-T15 PolarHBondContact O-N 3.34Å; V12-L16 HydrophobicContact CG1-CD1 3.99Å; V12-L16 HydrophobicContact CG1-CG 4.47Å; V12-L16 WeakPolarHBondContact O-CB 3.29Å; V12-L16 VanDerWaalsContact O-CG 3.3Å; V12-L16 WeakPolarHBondContact O-CG 3.49Å; V12-L16 PolarHBondContact O-N 3.16Å |
| 13 | V | 82.1 | Confident | 74.1 | Confident | 86 Ų | 86 | 122 Ų | 122 | 52% | 0.521 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.7 | -44.8 | 177.1 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | Y10 L16 W17 | Y10-V13 PolarHBondContact O-N 3.47Å; V13-L16 PolarHBondContact O-N 3.24Å; V13-W17 WeakPolarHBondContact O-CB 3.31Å; V13-W17 PolarHBondContact O-N 3.46Å |
| 14 | I | 83.4 | Confident | 76 | Confident | 84 Ų | 84 | 116 Ų | 116 | 43% | 0.431 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.6 | -44.9 | 176.8 | -68.1 | 163.9 | 0 | 0 | 0 | 110.8 | Y10 K11 L16 W17 I18 | Y10-I14 HydrophobicContact CD2-CD1 3.89Å; Y10-I14 WeakPolarHBondContact O-CB 3.43Å; Y10-I14 WeakPolarHBondContact O-CD1 3.43Å; Y10-I14 WeakPolarHBondContact O-CG1 3.04Å; Y10-I14 PolarHBondContact O-N 3.37Å; K11-I14 PolarHBondContact O-N 3.27Å; I14-L16 PolarHBondContact O-N 2.88Å; I14-W17 PolarHBondContact O-N 2.93Å; I14-I18 HydrophobicContact CG2-CD1 3.7Å; I14-I18 HydrophobicContact CG2-CG1 4.38Å; I14-I18 VanDerWaalsContact O-CG1 3.25Å; I14-I18 WeakPolarHBondContact O-CG1 3.45Å; I14-I18 PolarHBondContact O-N 3.03Å |
| 15 | T | 82.3 | Confident | 77.6 | Confident | 85 Ų | 85 | 112.8 Ų | 112.8 | 52% | 0.521 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.8 | -44 | 177.9 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | K11 V12 W17 I18 V19 | K11-T15 PolarHBondContact O-N 2.92Å; K11-T15 PolarHBondContact O-OG1 2.99Å; V12-T15 PolarHBondContact O-N 3.34Å; T15-W17 PolarHBondContact O-N 2.98Å; T15-I18 PolarHBondContact O-N 3.4Å; T15-V19 VanDerWaalsContact O-CG2 3.29Å; T15-V19 WeakPolarHBondContact O-CG2 3.47Å; T15-V19 PolarHBondContact O-N 2.99Å |
| 16 | L | 83.2 | Confident | 79.2 | Confident | 111 Ų | 111 | 106.1 Ų | 106.1 | 58% | 0.581 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.4 | -41 | 176.9 | -72.2 | 170.2 | 0 | 0 | 0 | 112 | V12 V13 I14 V19 Y20 | V12-L16 HydrophobicContact CG1-CD1 3.99Å; V12-L16 HydrophobicContact CG1-CG 4.47Å; V12-L16 WeakPolarHBondContact O-CB 3.29Å; V12-L16 VanDerWaalsContact O-CG 3.3Å; V12-L16 WeakPolarHBondContact O-CG 3.49Å; V12-L16 PolarHBondContact O-N 3.16Å; V13-L16 PolarHBondContact O-N 3.24Å; I14-L16 PolarHBondContact O-N 2.88Å; L16-V19 PolarHBondContact O-N 3.15Å; L16-Y20 WeakPolarHBondContact O-CB 3.5Å; L16-Y20 PolarHBondContact O-N 3.2Å |
| 17 | W | 87.4 | Confident | 80 | Confident | 171 Ų | 171 | 105.8 Ų | 105.8 | 65% | 0.648 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.1 | -41.9 | 177.7 | -169.7 | 68 | 0 | 0 | 0 | 112.3 | V13 I14 T15 Y20 L21 | V13-W17 WeakPolarHBondContact O-CB 3.31Å; V13-W17 PolarHBondContact O-N 3.46Å; I14-W17 PolarHBondContact O-N 2.93Å; T15-W17 PolarHBondContact O-N 2.98Å; W17-Y20 PolarHBondContact O-N 2.83Å; W17-L21 WeakPolarHBondContact O-CB 3.46Å; W17-L21 PolarHBondContact O-N 3.44Å |
| 18 | I | 90 | Very high | 80.7 | Confident | 78 Ų | 78 | 106.6 Ų | 106.6 | 40% | 0.4 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 175.1 | -69.2 | 167.9 | 0 | 0 | 0 | 110.3 | I14 T15 Y20 L21 W22 | I14-I18 HydrophobicContact CG2-CD1 3.7Å; I14-I18 HydrophobicContact CG2-CG1 4.38Å; I14-I18 VanDerWaalsContact O-CG1 3.25Å; I14-I18 WeakPolarHBondContact O-CG1 3.45Å; I14-I18 PolarHBondContact O-N 3.03Å; T15-I18 PolarHBondContact O-N 3.4Å; I18-Y20 VanDerWaalsContact C-N 3.3Å; I18-Y20 PolarHBondContact O-N 3.4Å; I18-L21 PolarHBondContact O-N 3.33Å; I18-W22 VanDerWaalsContact O-CD1 3.23Å; I18-W22 PolarHBondContact O-N 3.44Å |
| 19 | V | 89.2 | Confident | 81.4 | Confident | 81 Ų | 81 | 104.8 Ų | 104.8 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 178.9 | 172 | 0 | 0 | 0 | 0 | 110.9 | T15 L16 L21 W22 V23 | T15-V19 VanDerWaalsContact O-CG2 3.29Å; T15-V19 WeakPolarHBondContact O-CG2 3.47Å; T15-V19 PolarHBondContact O-N 2.99Å; L16-V19 PolarHBondContact O-N 3.15Å; V19-L21 PolarHBondContact O-N 2.86Å; V19-W22 PolarHBondContact O-N 3.47Å; V19-V23 HydrophobicContact CG1-CG2 4.41Å; V19-V23 WeakPolarHBondContact O-CG2 3.4Å; V19-V23 PolarHBondContact O-N 2.84Å |
| 20 | Y | 89.8 | Confident | 80.9 | Confident | 163 Ų | 163 | 108.3 Ų | 108.3 | 64% | 0.639 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 176.7 | -177.3 | -99.4 | 0 | 0 | 0 | 112.6 | L16 W17 I18 V23 S24 | L16-Y20 WeakPolarHBondContact O-CB 3.5Å; L16-Y20 PolarHBondContact O-N 3.2Å; W17-Y20 PolarHBondContact O-N 2.83Å; I18-Y20 VanDerWaalsContact C-N 3.3Å; I18-Y20 PolarHBondContact O-N 3.4Å; Y20-V23 PolarHBondContact O-N 3.24Å; Y20-S24 WeakPolarHBondContact O-CB 3.34Å; Y20-S24 PolarHBondContact O-N 2.96Å; Y20-S24 PolarHBondContact O-OG 3.49Å |
| 21 | L | 90.8 | Very high | 79.7 | Confident | 98 Ų | 98 | 111.1 Ų | 111.1 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 176.8 | -168.7 | 69.9 | 0 | 0 | 0 | 111.6 | W17 I18 V19 S24 L25 | W17-L21 WeakPolarHBondContact O-CB 3.46Å; W17-L21 PolarHBondContact O-N 3.44Å; I18-L21 PolarHBondContact O-N 3.33Å; V19-L21 PolarHBondContact O-N 2.86Å; L21-S24 PolarHBondContact O-N 3.4Å; L21-L25 WeakPolarHBondContact O-CB 3.49Å; L21-L25 PolarHBondContact O-N 2.93Å |
| 22 | W | 89.2 | Confident | 78.9 | Confident | 160 Ų | 160 | 108.8 Ų | 108.8 | 61% | 0.606 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.3 | -43.4 | 177.3 | -86.8 | 98 | 0 | 0 | 0 | 113 | I18 V19 S24 L25 L26 | I18-W22 VanDerWaalsContact O-CD1 3.23Å; I18-W22 PolarHBondContact O-N 3.44Å; V19-W22 PolarHBondContact O-N 3.47Å; W22-S24 VanDerWaalsContact C-N 3.32Å; W22-L25 PolarHBondContact O-N 3.48Å; W22-L26 WeakPolarHBondContact O-CB 3.5Å; W22-L26 PolarHBondContact O-N 3.4Å |
| 23 | V | 84.2 | Confident | 77.6 | Confident | 88 Ų | 88 | 115.7 Ų | 115.7 | 53% | 0.533 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.7 | -40 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | V19 Y20 L26 K27 | V19-V23 HydrophobicContact CG1-CG2 4.41Å; V19-V23 WeakPolarHBondContact O-CG2 3.4Å; V19-V23 PolarHBondContact O-N 2.84Å; Y20-V23 PolarHBondContact O-N 3.24Å; V23-L26 PolarHBondContact O-N 2.88Å; V23-K27 WeakPolarHBondContact O-CB 3.42Å; V23-K27 PolarHBondContact O-N 2.92Å |
| 24 | S | 81.5 | Confident | 75.9 | Confident | 43 Ų | 43 | 117.1 Ų | 117.1 | 30% | 0.301 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.1 | -45.8 | 176.8 | -61 | 0 | 0 | 0 | 0 | 111.5 | Y20 L21 W22 K27 T28 | Y20-S24 WeakPolarHBondContact O-CB 3.34Å; Y20-S24 PolarHBondContact O-N 2.96Å; Y20-S24 PolarHBondContact O-OG 3.49Å; L21-S24 PolarHBondContact O-N 3.4Å; W22-S24 VanDerWaalsContact C-N 3.32Å; S24-K27 WeakPolarHBondContact O-CB 3.43Å; S24-K27 PolarHBondContact O-N 2.88Å; S24-T28 PolarHBondContact O-N 3.34Å; S24-T28 PolarHBondContact O-OG1 3.4Å |
| 25 | L | 82.2 | Confident | 74.2 | Confident | 89 Ų | 89 | 115.9 Ų | 115.9 | 47% | 0.466 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.8 | -43.8 | 176.4 | -172.1 | 75.1 | 0 | 0 | 0 | 112 | L21 W22 K27 T28 I29 | L21-L25 WeakPolarHBondContact O-CB 3.49Å; L21-L25 PolarHBondContact O-N 2.93Å; W22-L25 PolarHBondContact O-N 3.48Å; L25-K27 VanDerWaalsContact C-N 3.26Å; L25-K27 PolarHBondContact O-N 2.96Å; L25-T28 PolarHBondContact O-N 3.5Å; L25-I29 HydrophobicContact CG-CD1 4.04Å; L25-I29 WeakPolarHBondContact O-CG1 3.46Å; L25-I29 PolarHBondContact O-N 3.35Å |
| 26 | L | 81.8 | Confident | 72.7 | Confident | 107 Ų | 107 | 118.4 Ų | 118.4 | 56% | 0.56 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.3 | -41.9 | 175.7 | -119.4 | 83.4 | 0 | 0 | 0 | 111 | W22 V23 I29 F30 | W22-L26 WeakPolarHBondContact O-CB 3.5Å; W22-L26 PolarHBondContact O-N 3.4Å; V23-L26 PolarHBondContact O-N 2.88Å; L26-I29 PolarHBondContact O-N 3.12Å; L26-F30 WeakPolarHBondContact O-CB 3.37Å; L26-F30 PolarHBondContact O-N 3.32Å |
| 27 | K | 73.9 | Confident | 71.1 | Confident | 159 Ų | 159 | 120.5 Ų | 120.5 | 69% | 0.691 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65 | -38.6 | 178.7 | -168.5 | 159.9 | 176.5 | 167.3 | 0 | 111.6 | V23 S24 L25 W31 | V23-K27 WeakPolarHBondContact O-CB 3.42Å; V23-K27 PolarHBondContact O-N 2.92Å; S24-K27 WeakPolarHBondContact O-CB 3.43Å; S24-K27 PolarHBondContact O-N 2.88Å; L25-K27 VanDerWaalsContact C-N 3.26Å; L25-K27 PolarHBondContact O-N 2.96Å; K27-W31 VanDerWaalsContact O-CB 3.27Å; K27-W31 WeakPolarHBondContact O-CB 3.38Å; K27-W31 PolarHBondContact O-N 2.78Å |
| 28 | T | 71.4 | Confident | 69.5 | Low | 89 Ų | 89 | 114.9 Ų | 114.9 | 55% | 0.546 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.1 | -44.3 | 174.9 | -22.5 | 0 | 0 | 0 | 0 | 112.2 | S24 L25 W31 S32 | S24-T28 PolarHBondContact O-N 3.34Å; S24-T28 PolarHBondContact O-OG1 3.4Å; L25-T28 PolarHBondContact O-N 3.5Å; T28-W31 PolarHBondContact O-N 2.93Å; T28-S32 PolarHBondContact O-N 2.98Å |
| 29 | I | 71.2 | Confident | 67.8 | Low | 99 Ų | 99 | 115 Ų | 115 | 51% | 0.508 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.6 | -36.9 | -179.5 | -65.4 | 167.5 | 0 | 0 | 0 | 111.5 | L25 L26 S32 R33 | L25-I29 HydrophobicContact CG-CD1 4.04Å; L25-I29 WeakPolarHBondContact O-CG1 3.46Å; L25-I29 PolarHBondContact O-N 3.35Å; L26-I29 PolarHBondContact O-N 3.12Å; I29-S32 PolarHBondContact O-OG 2.93Å; I29-R33 PolarHBondContact O-N 3.24Å |
| 30 | F | 61.1 | Low | 66.2 | Low | 137 Ų | 137 | 114.7 Ų | 114.7 | 60% | 0.601 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -74.7 | -34.7 | 179 | -136.4 | -92.8 | 0 | 0 | 0 | 111.7 | L26 R33 N34 | L26-F30 WeakPolarHBondContact O-CB 3.37Å; L26-F30 PolarHBondContact O-N 3.32Å; F30-R33 PolarHBondContact O-N 2.94Å; F30-N34 PolarHBondContact O-N 3.44Å |
| 31 | W | 52 | Low | 64.7 | Low | 212 Ų | 212 | 111.4 Ų | 111.4 | 80% | 0.803 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.5 | -36.5 | 175 | -151.4 | 24.6 | 0 | 0 | 0 | 112 | K27 T28 R33 N34 G35 | K27-W31 VanDerWaalsContact O-CB 3.27Å; K27-W31 WeakPolarHBondContact O-CB 3.38Å; K27-W31 PolarHBondContact O-N 2.78Å; T28-W31 PolarHBondContact O-N 2.93Å; W31-R33 PolarHBondContact O-N 2.9Å; W31-R33 VanDerWaalsContact O-N 3.14Å; W31-N34 PolarHBondContact O-N 2.96Å; W31-G35 PolarHBondContact O-N 3.47Å |
| 32 | S | 54 | Low | 63 | Low | 84 Ų | 84 | 111.5 Ų | 111.5 | 59% | 0.587 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.3 | -11.5 | 174.1 | 81.1 | 0 | 0 | 0 | 0 | 114.1 | T28 I29 | T28-S32 PolarHBondContact O-N 2.98Å; I29-S32 PolarHBondContact O-OG 2.93Å |
| 33 | R | 49.6 | Very low | 61.4 | Low | 205 Ų | 205 | 110.9 Ų | 110.9 | 77% | 0.774 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -104 | -18.8 | -178.8 | -167.8 | 159.4 | 166.1 | 176.3 | -8.1 | 113.7 | I29 F30 W31 | I29-R33 PolarHBondContact O-N 3.24Å; F30-R33 PolarHBondContact O-N 2.94Å; W31-R33 PolarHBondContact O-N 2.9Å; W31-R33 VanDerWaalsContact O-N 3.14Å |
| 34 | N | 45.6 | Very low | 60.1 | Low | 116 Ų | 116 | 112 Ų | 112 | 62% | 0.62 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -103.2 | -1.1 | -179.3 | -78.1 | 7.4 | 0 | 0 | 0 | 114.2 | F30 W31 | F30-N34 PolarHBondContact O-N 3.44Å; W31-N34 PolarHBondContact O-N 2.96Å |
| 35 | G | 48.4 | Very low | 59.2 | Low | 58 Ų | 58 | 118.3 Ų | 118.3 | 60% | 0.598 | 61% | 0.608 | S | S | * | * | trans | -116.7 | 32 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | W31 | W31-G35 PolarHBondContact O-N 3.47Š| ||
| 36 | H | 50 | Low | 58 | Low | 138 Ų | 138 | 116.8 Ų | 116.8 | 64% | 0.639 | 61% | 0.608 | S | S | * | * | trans | -104.6 | 55.8 | 176.4 | -109.2 | -14.1 | 0 | 0 | 0 | 111.8 | ||||
| 37 | D | 50.1 | Low | 56.8 | Low | 156 Ų | 156 | 119.2 Ų | 119.2 | 83% | 0.834 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -92.9 | 110.4 | 167.6 | -84.1 | -28.5 | 0 | 0 | 0 | 110.3 | S39 | D37-S39 VanDerWaalsContact C-N 3.33Å; D37-S39 PolarHBondContact O-N 3.27Å |
| 38 | G | 54.5 | Low | 56 | Low | 53 Ų | 53 | 119.5 Ų | 119.5 | 55% | 0.546 | 61% | 0.607 | S | S | . | * | S | Bend | trans | 74.9 | -31.3 | 151.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | T40 D41 | G38-T40 PolarHBondContact O-N 3.03Å; G38-D41 PolarHBondContact O-N 3.44Å |
| 39 | S | 53.6 | Low | 55.3 | Low | 81 Ų | 81 | 118.9 Ų | 118.9 | 57% | 0.566 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.1 | -34 | -167.9 | 178.8 | 0 | 0 | 0 | 0 | 114.5 | D37 V42 Q43 | D37-S39 VanDerWaalsContact C-N 3.33Å; D37-S39 PolarHBondContact O-N 3.27Å; S39-V42 PolarHBondContact O-N 2.96Å; S39-Q43 PolarHBondContact O-N 2.89Å |
| 40 | T | 54.7 | Low | 54.8 | Low | 74 Ų | 74 | 119 Ų | 119 | 45% | 0.454 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.8 | -30.9 | -178.9 | 32.4 | 0 | 0 | 0 | 0 | 113.2 | G38 Q44 | G38-T40 PolarHBondContact O-N 3.03Å; T40-Q44 WeakPolarHBondContact O-CB 3.21Å; T40-Q44 PolarHBondContact O-N 3.21Å |
| 41 | D | 58.6 | Low | 54.5 | Low | 94 Ų | 94 | 119.2 Ų | 119.2 | 50% | 0.503 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.1 | -42.2 | 176.3 | -167.2 | -83 | 0 | 0 | 0 | 111 | G38 Q44 R45 | G38-D41 PolarHBondContact O-N 3.44Å; D41-Q44 PolarHBondContact O-N 2.94Å; D41-R45 WeakPolarHBondContact O-CB 3.44Å; D41-R45 PolarHBondContact O-N 3.29Å; D41-R45 IonicContact OD1-CZ 3.83Å; D41-R45 IonicContact OD1-NE 3.83Å; D41-R45 IonicContact OD1-NH2 3.43Å; D41-R45 PolarHBondContact OD1-NH2 2.94Å |
| 42 | V | 55.7 | Low | 54.8 | Low | 100 Ų | 100 | 118.8 Ų | 118.8 | 61% | 0.606 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.6 | -45.1 | -179.9 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | S39 R45 A46 | S39-V42 PolarHBondContact O-N 2.96Å; V42-R45 PolarHBondContact O-N 3.36Å; V42-A46 WeakPolarHBondContact O-CB 3.48Å; V42-A46 PolarHBondContact O-N 2.9Å |
| 43 | Q | 55 | Low | 54.7 | Low | 146 Ų | 146 | 124.4 Ų | 124.4 | 68% | 0.682 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.9 | -37.5 | 176.5 | -70 | -140.7 | -21.5 | 0 | 0 | 112.4 | S39 A46 W47 | S39-Q43 PolarHBondContact O-N 2.89Å; Q43-A46 PolarHBondContact O-N 3.27Å; Q43-W47 WeakPolarHBondContact O-CB 3.47Å; Q43-W47 PolarHBondContact O-N 3.44Å |
| 44 | Q | 57.8 | Low | 54.8 | Low | 112 Ų | 112 | 119.4 Ų | 119.4 | 52% | 0.523 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.4 | -31.7 | 177.6 | -167 | 160.4 | -0.9 | 0 | 0 | 112.3 | T40 D41 R48 | T40-Q44 WeakPolarHBondContact O-CB 3.21Å; T40-Q44 PolarHBondContact O-N 3.21Å; D41-Q44 PolarHBondContact O-N 2.94Å; Q44-R48 WeakPolarHBondContact O-CG 3.49Å; Q44-R48 PolarHBondContact O-N 3.28Å |
| 45 | R | 61 | Low | 55.2 | Low | 175 Ų | 175 | 119.3 Ų | 119.3 | 66% | 0.66 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.2 | -42.7 | 172.5 | -169.6 | 178.3 | -68.5 | -154.5 | -1.9 | 111.8 | D41 V42 W47 R48 S49 | D41-R45 WeakPolarHBondContact O-CB 3.44Å; D41-R45 PolarHBondContact O-N 3.29Å; D41-R45 IonicContact OD1-CZ 3.83Å; D41-R45 IonicContact OD1-NE 3.83Å; D41-R45 IonicContact OD1-NH2 3.43Å; D41-R45 PolarHBondContact OD1-NH2 2.94Å; V42-R45 PolarHBondContact O-N 3.36Å; R45-W47 VanDerWaalsContact C-N 3.35Å; R45-W47 PolarHBondContact O-N 3Å; R45-R48 PolarHBondContact O-N 2.99Å; R45-S49 WeakPolarHBondContact O-CB 3.44Å; R45-S49 PolarHBondContact O-N 3.41Å |
| 46 | A | 57.3 | Low | 55.4 | Low | 57 Ų | 57 | 119 Ų | 119 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.2 | -41.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V42 Q43 S49 N50 | V42-A46 WeakPolarHBondContact O-CB 3.48Å; V42-A46 PolarHBondContact O-N 2.9Å; Q43-A46 PolarHBondContact O-N 3.27Å; A46-S49 PolarHBondContact O-N 2.95Å; A46-N50 PolarHBondContact O-N 2.87Å |
| 47 | W | 57.9 | Low | 55.3 | Low | 158 Ų | 158 | 119 Ų | 119 | 60% | 0.598 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.7 | -41 | 176.5 | -170 | 84.1 | 0 | 0 | 0 | 112.7 | Q43 R45 S49 N50 R51 | Q43-W47 WeakPolarHBondContact O-CB 3.47Å; Q43-W47 PolarHBondContact O-N 3.44Å; R45-W47 VanDerWaalsContact C-N 3.35Å; R45-W47 PolarHBondContact O-N 3Å; W47-S49 VanDerWaalsContact C-N 3.35Å; W47-S49 PolarHBondContact O-N 2.84Å; W47-N50 PolarHBondContact O-N 3.23Å; W47-R51 VanDerWaalsContact CH2-NH1 3.32Å; W47-R51 PolarHBondContact O-N 3.45Å; W47-R51 VanDerWaalsContact O-N 3.13Å |
| 48 | R | 56.7 | Low | 55.2 | Low | 165 Ų | 165 | 120.4 Ų | 120.4 | 62% | 0.623 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65 | -36 | 174.4 | -79 | -177.2 | 177 | 172.3 | 1.1 | 112.8 | Q44 R45 | Q44-R48 WeakPolarHBondContact O-CG 3.49Å; Q44-R48 PolarHBondContact O-N 3.28Å; R45-R48 PolarHBondContact O-N 2.99Å |
| 49 | S | 57.6 | Low | 54.9 | Low | 76 Ų | 76 | 122.5 Ų | 122.5 | 53% | 0.531 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.8 | -46.4 | 175.3 | 167.2 | 0 | 0 | 0 | 0 | 112 | R45 A46 W47 R51 R52 R53 | R45-S49 WeakPolarHBondContact O-CB 3.44Å; R45-S49 PolarHBondContact O-N 3.41Å; A46-S49 PolarHBondContact O-N 2.95Å; W47-S49 VanDerWaalsContact C-N 3.35Å; W47-S49 PolarHBondContact O-N 2.84Å; S49-R51 VanDerWaalsContact C-N 3.32Å; S49-R51 PolarHBondContact O-N 3.32Å; S49-R52 PolarHBondContact O-N 3.47Å; S49-R53 PolarHBondContact O-N 3.49Å |
| 50 | N | 59.1 | Low | 54.7 | Low | 103 Ų | 103 | 125.9 Ų | 125.9 | 55% | 0.551 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.4 | -31.2 | -178.4 | -128 | -33.7 | 0 | 0 | 0 | 112.7 | A46 W47 R53 Q54 | A46-N50 PolarHBondContact O-N 2.87Å; W47-N50 PolarHBondContact O-N 3.23Å; N50-R53 PolarHBondContact O-N 3.29Å; N50-Q54 PolarHBondContact O-N 2.85Å |
| 51 | R | 56 | Low | 54.4 | Low | 140 Ų | 140 | 127.5 Ų | 127.5 | 53% | 0.528 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.4 | -42.1 | 176.3 | -162.1 | 174.6 | -163.5 | 175 | 5.7 | 112.7 | W47 S49 Q54 E55 | W47-R51 VanDerWaalsContact CH2-NH1 3.32Å; W47-R51 PolarHBondContact O-N 3.45Å; W47-R51 VanDerWaalsContact O-N 3.13Å; S49-R51 VanDerWaalsContact C-N 3.32Å; S49-R51 PolarHBondContact O-N 3.32Å; R51-Q54 PolarHBondContact O-N 3.36Å; R51-E55 WeakPolarHBondContact O-CG 3.47Å; R51-E55 PolarHBondContact O-N 3.46Å; R51-E55 VanDerWaalsContact O-N 3.08Å |
| 52 | R | 57 | Low | 54.1 | Low | 203 Ų | 203 | 131.1 Ų | 131.1 | 77% | 0.766 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.6 | -35.8 | 176.7 | -73.6 | -171.9 | 179.8 | -169.1 | 0 | 112.7 | S49 E55 G56 | S49-R52 PolarHBondContact O-N 3.47Å; R52-E55 PolarHBondContact O-N 2.92Å; R52-G56 PolarHBondContact O-N 3.34Å |
| 53 | R | 53.2 | Low | 53.5 | Low | 202 Ų | 202 | 134.5 Ų | 134.5 | 76% | 0.762 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.2 | -36.1 | 173.3 | -92.2 | -169.8 | 177.6 | -165.2 | 0.2 | 113.1 | S49 N50 L57 | S49-R53 PolarHBondContact O-N 3.49Å; N50-R53 PolarHBondContact O-N 3.29Å; R53-L57 PolarHBondContact O-N 2.99Å |
| 54 | Q | 51.9 | Low | 53.5 | Low | 101 Ų | 101 | 133.4 Ų | 133.4 | 47% | 0.472 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -71.2 | -32.2 | 174.6 | -82.1 | -160.7 | 14.5 | 0 | 0 | 113.4 | N50 R51 G56 L57 R58 | N50-Q54 PolarHBondContact O-N 2.85Å; R51-Q54 PolarHBondContact O-N 3.36Å; Q54-G56 VanDerWaalsContact C-N 3.28Å; Q54-G56 PolarHBondContact O-N 2.93Å; Q54-L57 PolarHBondContact O-N 3.47Å; Q54-R58 WeakPolarHBondContact O-CB 3.48Å; Q54-R58 VanDerWaalsContact O-CG 3.25Å; Q54-R58 WeakPolarHBondContact O-CG 3.46Å; Q54-R58 PolarHBondContact O-N 3.4Å |
| 55 | E | 53.5 | Low | 52.6 | Low | 114 Ų | 114 | 137.6 Ų | 137.6 | 53% | 0.533 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -65 | -31.7 | 176.4 | -77.3 | 163.9 | -175.1 | 0 | 0 | 112 | R51 R52 | R51-E55 WeakPolarHBondContact O-CG 3.47Å; R51-E55 PolarHBondContact O-N 3.46Å; R51-E55 VanDerWaalsContact O-N 3.08Å; R52-E55 PolarHBondContact O-N 2.92Å |
| 56 | G | 52.9 | Low | 52 | Low | 50 Ų | 50 | 139 Ų | 139 | 52% | 0.515 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -74.8 | -25.1 | 173 | 0 | 0 | 0 | 0 | 0 | 115.4 | R52 Q54 S59 | R52-G56 PolarHBondContact O-N 3.34Å; Q54-G56 VanDerWaalsContact C-N 3.28Å; Q54-G56 PolarHBondContact O-N 2.93Å; G56-S59 PolarHBondContact O-OG 2.93Å |
| 57 | L | 48.1 | Very low | 51.4 | Low | 138 Ų | 138 | 147.9 Ų | 147.9 | 72% | 0.723 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -90.3 | -19 | 176.5 | -71.8 | 170.7 | 0 | 0 | 0 | 113.2 | R53 Q54 S59 | R53-L57 PolarHBondContact O-N 2.99Å; Q54-L57 PolarHBondContact O-N 3.47Å; L57-S59 VanDerWaalsContact C-N 3.31Å; L57-S59 PolarHBondContact O-N 2.98Å |
| 58 | R | 48 | Very low | 50.9 | Low | 187 Ų | 187 | 146.8 Ų | 146.8 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -10.5 | -178.9 | -83.3 | 176.2 | -179.5 | -135.2 | 1.8 | 114.4 | Q54 | Q54-R58 WeakPolarHBondContact O-CB 3.48Å; Q54-R58 VanDerWaalsContact O-CG 3.25Å; Q54-R58 WeakPolarHBondContact O-CG 3.46Å; Q54-R58 PolarHBondContact O-N 3.4Å |
| 59 | S | 48 | Very low | 50.3 | Low | 97 Ų | 97 | 143.7 Ų | 143.7 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -6.9 | 179.4 | 55.1 | 0 | 0 | 0 | 0 | 114.6 | G56 L57 | G56-S59 PolarHBondContact O-OG 2.93Å; L57-S59 VanDerWaalsContact C-N 3.31Å; L57-S59 PolarHBondContact O-N 2.98Å |
| 60 | I | 49.2 | Very low | 50.1 | Low | 152 Ų | 152 | 145.4 Ų | 145.4 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -113.5 | -2.4 | -172.8 | -56.3 | -179.9 | 0 | 0 | 0 | 114 | ||
| 61 | C | 48.8 | Very low | 49.5 | Very low | 107 Ų | 107 | 149.8 Ų | 149.8 | 72% | 0.723 | 73% | 0.733 | S | S | * | * | trans | -131.7 | 86.9 | -178.9 | -165.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 62 | M | 52 | Low | 49.3 | Very low | 171 Ų | 171 | 155.2 Ų | 155.2 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | trans | -102.5 | 97.2 | 155.9 | -80.2 | -131.3 | 66.6 | 0 | 0 | 108.8 | ||||
| 63 | H | 42 | Very low | 48.9 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | trans | -145.4 | 109.6 | 150.8 | -93.7 | -66.2 | 0 | 0 | 0 | 111.6 | ||||
| 64 | T | 54.7 | Low | 49.1 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | trans | 6.6 | 105.5 | 161.3 | 53.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 65 | K | 39.8 | Very low | 49.3 | Very low | 200 Ų | 200 | 147.3 Ų | 147.3 | 87% | 0.87 | 75% | 0.749 | S | S | * | * | trans | -123.7 | 105.8 | 145 | -86.1 | -175.4 | 177.8 | 178.6 | 0 | 110 | R67 | K65-R67 PolarHBondContact O-N 2.86Š| ||
| 66 | K | 48.6 | Very low | 49.4 | Very low | 205 Ų | 205 | 147.9 Ų | 147.9 | 89% | 0.891 | 75% | 0.754 | S | S | * | * | trans | -53.2 | 121.4 | 163.9 | -79.5 | -176.5 | 176.2 | 178.5 | 0 | 108 | ||||
| 67 | R | 43.6 | Very low | 49.6 | Very low | 242 Ų | 242 | 149.6 Ų | 149.6 | 91% | 0.913 | 75% | 0.754 | S | S | * | * | trans | -107.3 | 97.3 | 163 | -76.2 | -167.2 | 176.6 | -162.1 | -0.6 | 108.5 | K65 | K65-R67 PolarHBondContact O-N 2.86Š| ||
| 68 | V | 47.5 | Very low | 50.4 | Low | 136 Ų | 136 | 148.5 Ų | 148.5 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | -78.4 | 115.3 | 154.2 | 178.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 69 | S | 45.3 | Very low | 51.2 | Low | 100 Ų | 100 | 146.4 Ų | 146.4 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | -179 | 120.9 | 134 | 40.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 70 | S | 53.8 | Low | 52.3 | Low | 111 Ų | 111 | 146.1 Ų | 146.1 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | -61.8 | 118.6 | 172.8 | 46 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 71 | F | 46.1 | Very low | 53.4 | Low | 195 Ų | 195 | 142.9 Ų | 142.9 | 86% | 0.855 | 72% | 0.723 | S | S | * | * | trans | -123.2 | 93.1 | 148.6 | -93.2 | -85.8 | 0 | 0 | 0 | 108.5 | G73 | F71-G73 PolarHBondContact O-N 2.82Å; F71-G73 VanDerWaalsContact O-N 3.15Å | ||
| 72 | R | 52.3 | Low | 54.7 | Low | 254 Ų | 254 | 141.2 Ų | 141.2 | 96% | 0.958 | 71% | 0.706 | S | S | * | * | trans | -84.3 | 62.9 | 169 | -164.7 | 178.4 | -172.2 | -119.4 | 4.7 | 108.5 | ||||
| 73 | G | 48.4 | Very low | 56 | Low | 46 Ų | 46 | 136.9 Ų | 136.9 | 47% | 0.474 | 69% | 0.689 | S | S | . | * | trans | -103.1 | 118.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F71 K75 | F71-G73 PolarHBondContact O-N 2.82Å; F71-G73 VanDerWaalsContact O-N 3.15Å; G73-K75 PolarHBondContact O-N 3.27Å | ||
| 74 | N | 56.5 | Low | 57.8 | Low | 136 Ų | 136 | 134 Ų | 134 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | trans | 43 | 36.7 | 157.7 | -77.7 | 4 | 0 | 0 | 0 | 120.1 | I76 | N74-I76 PolarHBondContact O-N 3.34Š| ||
| 75 | K | 55.5 | Low | 59.2 | Low | 159 Ų | 159 | 136.1 Ų | 136.1 | 69% | 0.691 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.1 | -13.9 | 171.6 | -67.5 | -174 | -178.5 | 178.9 | 0 | 114.3 | G73 K79 | G73-K75 PolarHBondContact O-N 3.27Å; K75-K79 WeakPolarHBondContact O-CG 3.35Å |
| 76 | I | 56.5 | Low | 61.3 | Low | 126 Ų | 126 | 134.8 Ų | 134.8 | 65% | 0.646 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -80.4 | -51.5 | -176.2 | -62.1 | 169.8 | 0 | 0 | 0 | 109.9 | N74 L78 K79 D80 | N74-I76 PolarHBondContact O-N 3.34Å; I76-L78 PolarHBondContact O-N 2.79Å; I76-K79 PolarHBondContact O-N 3.29Å; I76-D80 WeakPolarHBondContact CG2-OD2 3.45Å; I76-D80 VanDerWaalsContact O-CG 3.29Å; I76-D80 PolarHBondContact O-N 3.42Å; I76-D80 VanDerWaalsContact O-N 3.17Å |
| 77 | V | 57.6 | Low | 63 | Low | 85 Ų | 85 | 129.3 Ų | 129.3 | 52% | 0.515 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -63 | -42.2 | -174.3 | -174.8 | 0 | 0 | 0 | 0 | 113.5 | D80 V81 | V77-D80 PolarHBondContact O-N 3.47Å; V77-V81 HydrophobicContact CG1-CG2 4.43Å; V77-V81 VanDerWaalsContact O-CG2 3.29Å; V77-V81 WeakPolarHBondContact O-CG2 3.36Å; V77-V81 PolarHBondContact O-N 2.84Å |
| 78 | L | 64.5 | Low | 65 | Low | 115 Ų | 115 | 121.4 Ų | 121.4 | 60% | 0.602 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.6 | -37.3 | -178.9 | -177 | 63.6 | 0 | 0 | 0 | 112.3 | I76 D80 V81 I82 | I76-L78 PolarHBondContact O-N 2.79Å; L78-D80 VanDerWaalsContact C-N 3.32Å; L78-V81 PolarHBondContact O-N 3.07Å; L78-I82 HydrophobicContact CD1-CD1 4.1Å; L78-I82 HydrophobicContact CD1-CG1 4.38Å; L78-I82 HydrophobicContact CG-CD1 3.88Å; L78-I82 WeakPolarHBondContact O-CB 3.34Å; L78-I82 WeakPolarHBondContact O-CD1 3.4Å; L78-I82 WeakPolarHBondContact O-CG1 3.37Å; L78-I82 PolarHBondContact O-N 3.34Å |
| 79 | K | 65 | Low | 66.7 | Low | 144 Ų | 144 | 118.3 Ų | 118.3 | 63% | 0.626 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.4 | -42.5 | 175.9 | -76.6 | -178.2 | 178.7 | -176 | 0 | 110.4 | K75 I76 I82 T83 | K75-K79 WeakPolarHBondContact O-CG 3.35Å; I76-K79 PolarHBondContact O-N 3.29Å; K79-I82 PolarHBondContact O-N 3.49Å; K79-T83 WeakPolarHBondContact O-CG2 3.34Å; K79-T83 PolarHBondContact O-N 3.4Å; K79-T83 PolarHBondContact O-OG1 2.9Å; K79-T83 VanDerWaalsContact O-OG1 3.08Å |
| 80 | D | 70.4 | Confident | 68.8 | Low | 90 Ų | 90 | 117.6 Ų | 117.6 | 48% | 0.481 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.8 | -36.1 | -179.2 | -63.4 | -23.1 | 0 | 0 | 0 | 112.7 | I76 V77 L78 T83 L84 | I76-D80 WeakPolarHBondContact CG2-OD2 3.45Å; I76-D80 VanDerWaalsContact O-CG 3.29Å; I76-D80 PolarHBondContact O-N 3.42Å; I76-D80 VanDerWaalsContact O-N 3.17Å; V77-D80 PolarHBondContact O-N 3.47Å; L78-D80 VanDerWaalsContact C-N 3.32Å; D80-T83 VanDerWaalsContact CA-OG1 3.31Å; D80-T83 WeakPolarHBondContact CA-OG1 3.47Å; D80-T83 PolarHBondContact O-OG1 3.44Å; D80-L84 WeakPolarHBondContact O-CB 3.39Å; D80-L84 PolarHBondContact O-N 2.98Å |
| 81 | V | 71.8 | Confident | 70.5 | Confident | 85 Ų | 85 | 118 Ų | 118 | 52% | 0.515 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.4 | -39.5 | 173.7 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | V77 L78 R85 | V77-V81 HydrophobicContact CG1-CG2 4.43Å; V77-V81 VanDerWaalsContact O-CG2 3.29Å; V77-V81 WeakPolarHBondContact O-CG2 3.36Å; V77-V81 PolarHBondContact O-N 2.84Å; L78-V81 PolarHBondContact O-N 3.07Å; V81-R85 VanDerWaalsContact O-CB 3.29Å; V81-R85 WeakPolarHBondContact O-CB 3.3Å; V81-R85 PolarHBondContact O-N 3.31Å |
| 82 | I | 76.9 | Confident | 72.5 | Confident | 71 Ų | 71 | 112.3 Ų | 112.3 | 36% | 0.364 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.8 | -41.5 | 178.2 | -68.1 | 167.2 | 0 | 0 | 0 | 111.1 | L78 K79 R86 | L78-I82 HydrophobicContact CD1-CD1 4.1Å; L78-I82 HydrophobicContact CD1-CG1 4.38Å; L78-I82 HydrophobicContact CG-CD1 3.88Å; L78-I82 WeakPolarHBondContact O-CB 3.34Å; L78-I82 WeakPolarHBondContact O-CD1 3.4Å; L78-I82 WeakPolarHBondContact O-CG1 3.37Å; L78-I82 PolarHBondContact O-N 3.34Å; K79-I82 PolarHBondContact O-N 3.49Å; I82-R86 WeakPolarHBondContact O-CB 3.3Å; I82-R86 VanDerWaalsContact O-CG 3.29Å; I82-R86 WeakPolarHBondContact O-CG 3.49Å; I82-R86 PolarHBondContact O-N 2.98Å |
| 83 | T | 80.1 | Confident | 74.1 | Confident | 81 Ų | 81 | 107.6 Ų | 107.6 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 176.4 | 51.9 | 0 | 0 | 0 | 0 | 111 | K79 D80 R85 R86 H87 | K79-T83 WeakPolarHBondContact O-CG2 3.34Å; K79-T83 PolarHBondContact O-N 3.4Å; K79-T83 PolarHBondContact O-OG1 2.9Å; K79-T83 VanDerWaalsContact O-OG1 3.08Å; D80-T83 VanDerWaalsContact CA-OG1 3.31Å; D80-T83 WeakPolarHBondContact CA-OG1 3.47Å; D80-T83 PolarHBondContact O-OG1 3.44Å; T83-R85 PolarHBondContact O-N 3.38Å; T83-R86 PolarHBondContact O-N 2.93Å; T83-H87 WeakPolarHBondContact O-CB 3.47Å; T83-H87 PolarHBondContact O-N 2.91Å |
| 84 | L | 79.5 | Confident | 75.8 | Confident | 109 Ų | 109 | 107.8 Ų | 107.8 | 57% | 0.571 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.6 | -45.4 | 176 | -173.7 | 64.6 | 0 | 0 | 0 | 111.6 | D80 R86 H87 V88 | D80-L84 WeakPolarHBondContact O-CB 3.39Å; D80-L84 PolarHBondContact O-N 2.98Å; L84-R86 PolarHBondContact O-N 2.97Å; L84-H87 PolarHBondContact O-N 3.39Å; L84-V88 WeakPolarHBondContact O-CG2 3.37Å; L84-V88 PolarHBondContact O-N 2.96Å |
| 85 | R | 83.5 | Confident | 77.2 | Confident | 168 Ų | 168 | 108.7 Ų | 108.7 | 63% | 0.634 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59 | -47.4 | 175.4 | -179.9 | -179.9 | 167.2 | -173.5 | 0.8 | 111.6 | V81 T83 H87 V88 E89 | V81-R85 VanDerWaalsContact O-CB 3.29Å; V81-R85 WeakPolarHBondContact O-CB 3.3Å; V81-R85 PolarHBondContact O-N 3.31Å; T83-R85 PolarHBondContact O-N 3.38Å; R85-H87 VanDerWaalsContact C-N 3.31Å; R85-H87 PolarHBondContact O-N 3.22Å; R85-V88 PolarHBondContact O-N 3.02Å; R85-E89 IonicContact CZ-OE1 3.33Å; R85-E89 IonicContact NE-OE1 3.53Å; R85-E89 PolarHBondContact NE-OE1 3.45Å; R85-E89 IonicContact NH2-OE1 2.88Å; R85-E89 PolarHBondContact NH2-OE1 2.79Å; R85-E89 WeakPolarHBondContact O-CB 3.43Å; R85-E89 WeakPolarHBondContact O-CG 3.25Å; R85-E89 PolarHBondContact O-N 3.22Å |
| 86 | R | 83.7 | Confident | 78.4 | Confident | 172 Ų | 172 | 106 Ų | 106 | 65% | 0.649 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.1 | -40.7 | 177.7 | -75.6 | 176.4 | 177.6 | -172.4 | 0.2 | 111.9 | I82 T83 L84 E89 T90 | I82-R86 WeakPolarHBondContact O-CB 3.3Å; I82-R86 VanDerWaalsContact O-CG 3.29Å; I82-R86 WeakPolarHBondContact O-CG 3.49Å; I82-R86 PolarHBondContact O-N 2.98Å; T83-R86 PolarHBondContact O-N 2.93Å; L84-R86 PolarHBondContact O-N 2.97Å; R86-E89 PolarHBondContact O-N 2.92Å; R86-T90 WeakPolarHBondContact O-CG2 3.25Å; R86-T90 PolarHBondContact O-N 2.96Å; R86-T90 PolarHBondContact O-OG1 3.32Å |
| 87 | H | 84.1 | Confident | 79.5 | Confident | 90 Ų | 90 | 108.7 Ų | 108.7 | 42% | 0.417 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 178.2 | 173.5 | -104.4 | 0 | 0 | 0 | 112.8 | T83 L84 R85 T90 K91 | T83-H87 WeakPolarHBondContact O-CB 3.47Å; T83-H87 PolarHBondContact O-N 2.91Å; L84-H87 PolarHBondContact O-N 3.39Å; R85-H87 VanDerWaalsContact C-N 3.31Å; R85-H87 PolarHBondContact O-N 3.22Å; H87-T90 PolarHBondContact O-OG1 3.49Å; H87-K91 VanDerWaalsContact CE1-CE 3.4Å; H87-K91 WeakPolarHBondContact CE1-CE 3.29Å; H87-K91 PolarHBondContact CE1-NZ 2.82Å; H87-K91 VanDerWaalsContact NE2-CE 3.25Å; H87-K91 WeakPolarHBondContact NE2-CE 3.38Å; H87-K91 PolarHBondContact O-N 3.41Å; H87-K91 VanDerWaalsContact O-N 3.1Å |
| 88 | V | 86.3 | Confident | 80.4 | Confident | 76 Ų | 76 | 112.1 Ų | 112.1 | 46% | 0.461 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.6 | -43.8 | 173.9 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | L84 R85 T90 K91 V92 | L84-V88 WeakPolarHBondContact O-CG2 3.37Å; L84-V88 PolarHBondContact O-N 2.96Å; R85-V88 PolarHBondContact O-N 3.02Å; V88-T90 VanDerWaalsContact C-N 3.34Å; V88-T90 PolarHBondContact O-N 3.04Å; V88-K91 PolarHBondContact O-N 3.02Å; V88-V92 HydrophobicContact CG1-CG2 4.31Å; V88-V92 VanDerWaalsContact O-CG2 3.31Å; V88-V92 WeakPolarHBondContact O-CG2 3.46Å; V88-V92 PolarHBondContact O-N 2.93Å |
| 89 | E | 83.6 | Confident | 80.8 | Confident | 72 Ų | 72 | 115.8 Ų | 115.8 | 34% | 0.336 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 177 | -77.2 | -179.1 | -168.5 | 0 | 0 | 112.1 | R85 R86 V92 R93 | R85-E89 IonicContact CZ-OE1 3.33Å; R85-E89 IonicContact NE-OE1 3.53Å; R85-E89 PolarHBondContact NE-OE1 3.45Å; R85-E89 IonicContact NH2-OE1 2.88Å; R85-E89 PolarHBondContact NH2-OE1 2.79Å; R85-E89 WeakPolarHBondContact O-CB 3.43Å; R85-E89 WeakPolarHBondContact O-CG 3.25Å; R85-E89 PolarHBondContact O-N 3.22Å; R86-E89 PolarHBondContact O-N 2.92Å; E89-V92 PolarHBondContact O-N 3.46Å; E89-R93 WeakPolarHBondContact O-CB 3.28Å; E89-R93 VanDerWaalsContact O-CG 3.23Å; E89-R93 WeakPolarHBondContact O-CG 3.38Å; E89-R93 PolarHBondContact O-N 2.77Å |
| 90 | T | 89.3 | Confident | 81 | Confident | 84 Ų | 84 | 115.8 Ų | 115.8 | 52% | 0.515 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.9 | -41.5 | 176.9 | 60.7 | 0 | 0 | 0 | 0 | 111.8 | R86 H87 V88 V92 R93 A94 | R86-T90 WeakPolarHBondContact O-CG2 3.25Å; R86-T90 PolarHBondContact O-N 2.96Å; R86-T90 PolarHBondContact O-OG1 3.32Å; H87-T90 PolarHBondContact O-OG1 3.49Å; V88-T90 VanDerWaalsContact C-N 3.34Å; V88-T90 PolarHBondContact O-N 3.04Å; T90-V92 PolarHBondContact O-N 2.92Å; T90-R93 PolarHBondContact O-N 2.88Å; T90-A94 WeakPolarHBondContact O-CB 3.24Å; T90-A94 PolarHBondContact O-N 3.13Å |
| 91 | K | 88.3 | Confident | 80.8 | Confident | 120 Ų | 120 | 115.3 Ų | 115.3 | 52% | 0.522 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 174.4 | -79.5 | -169.4 | 172.2 | 179.8 | 0 | 112.3 | H87 V88 A94 K95 | H87-K91 VanDerWaalsContact CE1-CE 3.4Å; H87-K91 WeakPolarHBondContact CE1-CE 3.29Å; H87-K91 PolarHBondContact CE1-NZ 2.82Å; H87-K91 VanDerWaalsContact NE2-CE 3.25Å; H87-K91 WeakPolarHBondContact NE2-CE 3.38Å; H87-K91 PolarHBondContact O-N 3.41Å; H87-K91 VanDerWaalsContact O-N 3.1Å; V88-K91 PolarHBondContact O-N 3.02Å; K91-A94 PolarHBondContact O-N 3.26Å; K91-K95 WeakPolarHBondContact O-CG 3.42Å; K91-K95 PolarHBondContact O-N 3.44Å |
| 92 | V | 89.6 | Confident | 80.2 | Confident | 75 Ų | 75 | 114.9 Ų | 114.9 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 176.5 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | V88 E89 T90 A94 K95 I96 | V88-V92 HydrophobicContact CG1-CG2 4.31Å; V88-V92 VanDerWaalsContact O-CG2 3.31Å; V88-V92 WeakPolarHBondContact O-CG2 3.46Å; V88-V92 PolarHBondContact O-N 2.93Å; E89-V92 PolarHBondContact O-N 3.46Å; T90-V92 PolarHBondContact O-N 2.92Å; V92-A94 VanDerWaalsContact C-N 3.34Å; V92-A94 PolarHBondContact O-N 3.41Å; V92-K95 PolarHBondContact O-N 2.96Å; V92-I96 HydrophobicContact CG1-CD1 3.76Å; V92-I96 HydrophobicContact CG1-CG1 4.39Å; V92-I96 VanDerWaalsContact O-CG1 3.31Å; V92-I96 WeakPolarHBondContact O-CG1 3.32Å; V92-I96 PolarHBondContact O-N 3.4Å |
| 93 | R | 84.8 | Confident | 79.4 | Confident | 156 Ų | 156 | 116.2 Ų | 116.2 | 59% | 0.589 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.2 | -40.8 | 176 | -75.2 | 175.2 | -179.4 | -161.3 | 1.8 | 112.2 | E89 T90 I96 R97 | E89-R93 WeakPolarHBondContact O-CB 3.28Å; E89-R93 VanDerWaalsContact O-CG 3.23Å; E89-R93 WeakPolarHBondContact O-CG 3.38Å; E89-R93 PolarHBondContact O-N 2.77Å; T90-R93 PolarHBondContact O-N 2.88Å; R93-I96 PolarHBondContact O-N 3.47Å; R93-R97 WeakPolarHBondContact O-CB 3.44Å; R93-R97 WeakPolarHBondContact O-CG 3.39Å; R93-R97 PolarHBondContact O-N 3.17Å |
| 94 | A | 85.3 | Confident | 78.4 | Confident | 49 Ų | 49 | 120.3 Ų | 120.3 | 41% | 0.405 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.2 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T90 K91 V92 R97 K98 | T90-A94 WeakPolarHBondContact O-CB 3.24Å; T90-A94 PolarHBondContact O-N 3.13Å; K91-A94 PolarHBondContact O-N 3.26Å; V92-A94 VanDerWaalsContact C-N 3.34Å; V92-A94 PolarHBondContact O-N 3.41Å; A94-R97 PolarHBondContact O-N 2.81Å; A94-K98 WeakPolarHBondContact O-CB 3.37Å; A94-K98 WeakPolarHBondContact O-CG 3.33Å; A94-K98 PolarHBondContact O-N 2.94Å |
| 95 | K | 84.1 | Confident | 77.3 | Confident | 156 Ų | 156 | 120.9 Ų | 120.9 | 68% | 0.678 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63 | -42.8 | 173.9 | -75.1 | -179.9 | 178 | -175.4 | 0 | 112.2 | K91 V92 K98 R99 | K91-K95 WeakPolarHBondContact O-CG 3.42Å; K91-K95 PolarHBondContact O-N 3.44Å; V92-K95 PolarHBondContact O-N 2.96Å; K95-K98 PolarHBondContact O-N 2.89Å; K95-R99 VanDerWaalsContact O-CB 3.31Å; K95-R99 WeakPolarHBondContact O-CB 3.45Å; K95-R99 PolarHBondContact O-N 3.26Å |
| 96 | I | 81.6 | Confident | 75.9 | Confident | 103 Ų | 103 | 119.3 Ų | 119.3 | 53% | 0.528 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.8 | -45 | 176.1 | -68.1 | 167.3 | 0 | 0 | 0 | 110.8 | V92 R93 R99 K100 | V92-I96 HydrophobicContact CG1-CD1 3.76Å; V92-I96 HydrophobicContact CG1-CG1 4.39Å; V92-I96 VanDerWaalsContact O-CG1 3.31Å; V92-I96 WeakPolarHBondContact O-CG1 3.32Å; V92-I96 PolarHBondContact O-N 3.4Å; R93-I96 PolarHBondContact O-N 3.47Å; I96-R99 PolarHBondContact O-N 3.27Å; I96-K100 VanDerWaalsContact O-CB 3.31Å; I96-K100 WeakPolarHBondContact O-CB 3.42Å; I96-K100 PolarHBondContact O-N 3.26Å |
| 97 | R | 79.3 | Confident | 74.8 | Confident | 182 Ų | 182 | 118.9 Ų | 118.9 | 69% | 0.687 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.9 | -47.6 | 176.3 | -75.7 | 178.1 | 179.3 | -179.1 | -1.3 | 111.4 | R93 A94 R99 K100 V101 | R93-R97 WeakPolarHBondContact O-CB 3.44Å; R93-R97 WeakPolarHBondContact O-CG 3.39Å; R93-R97 PolarHBondContact O-N 3.17Å; A94-R97 PolarHBondContact O-N 2.81Å; R97-R99 PolarHBondContact O-N 3.4Å; R97-K100 PolarHBondContact O-N 2.78Å; R97-V101 WeakPolarHBondContact O-CB 3.27Å; R97-V101 VanDerWaalsContact O-CG2 3.25Å; R97-V101 WeakPolarHBondContact O-CG2 3.47Å; R97-V101 PolarHBondContact O-N 3.01Å |
| 98 | K | 77.1 | Confident | 73.7 | Confident | 157 Ų | 157 | 123.1 Ų | 123.1 | 68% | 0.683 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -57.7 | -47.6 | 175.1 | -76.5 | -173 | 178.7 | -168.7 | 0 | 111.4 | A94 K95 K100 V101 T102 | A94-K98 WeakPolarHBondContact O-CB 3.37Å; A94-K98 WeakPolarHBondContact O-CG 3.33Å; A94-K98 PolarHBondContact O-N 2.94Å; K95-K98 PolarHBondContact O-N 2.89Å; K98-K100 PolarHBondContact O-N 2.9Å; K98-V101 PolarHBondContact O-N 3.31Å; K98-T102 WeakPolarHBondContact O-CG2 3.33Å; K98-T102 PolarHBondContact O-N 3.46Å; K98-T102 PolarHBondContact O-OG1 3.34Å; K98-T102 VanDerWaalsContact O-OG1 3.05Å |
| 99 | R | 71.9 | Confident | 72.2 | Confident | 192 Ų | 192 | 126.6 Ų | 126.6 | 73% | 0.725 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -60.3 | -44.7 | 176.6 | -168.1 | 177.3 | -177.2 | -163.5 | 1.3 | 112 | K95 I96 R97 T102 T103 | K95-R99 VanDerWaalsContact O-CB 3.31Å; K95-R99 WeakPolarHBondContact O-CB 3.45Å; K95-R99 PolarHBondContact O-N 3.26Å; I96-R99 PolarHBondContact O-N 3.27Å; R97-R99 PolarHBondContact O-N 3.4Å; R99-T102 VanDerWaalsContact CA-OG1 3.31Å; R99-T102 WeakPolarHBondContact CA-OG1 3.3Å; R99-T102 PolarHBondContact O-N 3.42Å; R99-T102 PolarHBondContact O-OG1 3.08Å; R99-T103 WeakPolarHBondContact O-CB 3.46Å; R99-T103 PolarHBondContact O-N 3.22Å; R99-T103 PolarHBondContact O-OG1 3.41Å |
| 100 | K | 70.5 | Confident | 70.9 | Confident | 143 Ų | 143 | 132.6 Ų | 132.6 | 62% | 0.622 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.3 | -38.3 | 177.9 | -169 | 176.1 | -176.7 | 178.6 | 0 | 112.1 | I96 R97 K98 K104 | I96-K100 VanDerWaalsContact O-CB 3.31Å; I96-K100 WeakPolarHBondContact O-CB 3.42Å; I96-K100 PolarHBondContact O-N 3.26Å; R97-K100 PolarHBondContact O-N 2.78Å; K98-K100 PolarHBondContact O-N 2.9Å; K100-K104 WeakPolarHBondContact O-CB 3.33Å; K100-K104 PolarHBondContact O-N 3.04Å |
| 101 | V | 65.9 | Low | 69.4 | Low | 80 Ų | 80 | 133.1 Ų | 133.1 | 49% | 0.485 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.2 | -47.2 | 174.9 | 169.1 | 0 | 0 | 0 | 0 | 110.4 | R97 K98 T103 K104 I105 | R97-V101 WeakPolarHBondContact O-CB 3.27Å; R97-V101 VanDerWaalsContact O-CG2 3.25Å; R97-V101 WeakPolarHBondContact O-CG2 3.47Å; R97-V101 PolarHBondContact O-N 3.01Å; K98-V101 PolarHBondContact O-N 3.31Å; V101-T103 VanDerWaalsContact C-N 3.29Å; V101-T103 PolarHBondContact O-N 3.37Å; V101-K104 PolarHBondContact O-N 3.23Å; V101-K104 VanDerWaalsContact O-N 3.09Å; V101-I105 HydrophobicContact CG1-CD1 3.58Å; V101-I105 HydrophobicContact CG1-CG1 4.36Å; V101-I105 VanDerWaalsContact O-CG1 3.28Å; V101-I105 WeakPolarHBondContact O-CG1 3.11Å; V101-I105 PolarHBondContact O-N 3.39Å |
| 102 | T | 59.6 | Low | 67.9 | Low | 77 Ų | 77 | 134.4 Ų | 134.4 | 47% | 0.472 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -64 | -34.2 | 175.8 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | K98 R99 I105 N106 | K98-T102 WeakPolarHBondContact O-CG2 3.33Å; K98-T102 PolarHBondContact O-N 3.46Å; K98-T102 PolarHBondContact O-OG1 3.34Å; K98-T102 VanDerWaalsContact O-OG1 3.05Å; R99-T102 VanDerWaalsContact CA-OG1 3.31Å; R99-T102 WeakPolarHBondContact CA-OG1 3.3Å; R99-T102 PolarHBondContact O-N 3.42Å; R99-T102 PolarHBondContact O-OG1 3.08Å; T102-I105 PolarHBondContact O-N 3.38Å; T102-N106 PolarHBondContact O-N 3.09Å; T102-N106 PolarHBondContact O-ND2 3.01Å |
| 103 | T | 59.2 | Low | 66.2 | Low | 99 Ų | 99 | 133.8 Ų | 133.8 | 61% | 0.607 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.5 | -33.7 | 173.8 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | R99 V101 | R99-T103 WeakPolarHBondContact O-CB 3.46Å; R99-T103 PolarHBondContact O-N 3.22Å; R99-T103 PolarHBondContact O-OG1 3.41Å; V101-T103 VanDerWaalsContact C-N 3.29Å; V101-T103 PolarHBondContact O-N 3.37Å |
| 104 | K | 58.8 | Low | 64.8 | Low | 167 Ų | 167 | 135.8 Ų | 135.8 | 73% | 0.726 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.5 | -32.3 | 174.2 | -86 | -166.3 | 166.4 | -162 | 0 | 113.5 | K100 V101 N106 | K100-K104 WeakPolarHBondContact O-CB 3.33Å; K100-K104 PolarHBondContact O-N 3.04Å; V101-K104 PolarHBondContact O-N 3.23Å; V101-K104 VanDerWaalsContact O-N 3.09Å; K104-N106 VanDerWaalsContact C-N 3.27Å; K104-N106 PolarHBondContact O-N 2.81Å |
| 105 | I | 56.3 | Low | 63.3 | Low | 121 Ų | 121 | 144.6 Ų | 144.6 | 62% | 0.621 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -72.7 | -19.9 | -179.6 | -68.4 | 167.3 | 0 | 0 | 0 | 111.9 | V101 T102 H107 | V101-I105 HydrophobicContact CG1-CD1 3.58Å; V101-I105 HydrophobicContact CG1-CG1 4.36Å; V101-I105 VanDerWaalsContact O-CG1 3.28Å; V101-I105 WeakPolarHBondContact O-CG1 3.11Å; V101-I105 PolarHBondContact O-N 3.39Å; T102-I105 PolarHBondContact O-N 3.38Å; I105-H107 PolarHBondContact O-N 3.23Å |
| 106 | N | 54.7 | Low | 61.8 | Low | 134 Ų | 134 | 143.3 Ų | 143.3 | 72% | 0.717 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -95 | 44.4 | -178.5 | -70.4 | -20.9 | 0 | 0 | 0 | 114.6 | T102 K104 | T102-N106 PolarHBondContact O-N 3.09Å; T102-N106 PolarHBondContact O-ND2 3.01Å; K104-N106 VanDerWaalsContact C-N 3.27Å; K104-N106 PolarHBondContact O-N 2.81Å |
| 107 | H | 59.6 | Low | 60.7 | Low | 163 Ų | 163 | 141.5 Ų | 141.5 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | trans | -134.8 | 51.7 | 169.7 | -160 | 68.8 | 0 | 0 | 0 | 112.8 | I105 | I105-H107 PolarHBondContact O-N 3.23Š| ||
| 108 | H | 61.2 | Low | 60.1 | Low | 180 Ų | 180 | 135.3 Ų | 135.3 | 83% | 0.833 | 66% | 0.664 | S | S | * | * | trans | -136.7 | 25.3 | 165 | -88.2 | -67.4 | 0 | 0 | 0 | 114.2 | K110 | H108-K110 PolarHBondContact O-N 2.91Å; H108-K110 VanDerWaalsContact O-N 3.13Å | ||
| 109 | D | 56.2 | Low | 59.8 | Low | 149 Ų | 149 | 136.8 Ų | 136.8 | 80% | 0.797 | 67% | 0.665 | S | S | * | * | trans | -76.8 | 102.1 | 161 | -73.3 | -15.6 | 0 | 0 | 0 | 108.2 | I111 | D109-I111 PolarHBondContact O-N 2.96Š| ||
| 110 | K | 55.7 | Low | 59.8 | Low | 197 Ų | 197 | 134.8 Ų | 134.8 | 86% | 0.857 | 66% | 0.662 | S | S | * | * | trans | -58.3 | 90.6 | 161.6 | -79.7 | 177.6 | 176.3 | 176.7 | 0 | 107.5 | H108 N112 | H108-K110 PolarHBondContact O-N 2.91Å; H108-K110 VanDerWaalsContact O-N 3.13Å; K110-N112 VanDerWaalsContact C-N 3.29Å; K110-N112 PolarHBondContact O-N 3.36Å | ||
| 111 | I | 58.2 | Low | 60 | Low | 96 Ų | 96 | 133.3 Ų | 133.3 | 49% | 0.492 | 66% | 0.657 | S | S | . | * | trans | -67.6 | 94.2 | 172.4 | -63.2 | 164.8 | 0 | 0 | 0 | 105.9 | D109 G113 K116 | D109-I111 PolarHBondContact O-N 2.96Å; I111-G113 PolarHBondContact O-N 2.88Å; I111-K116 HydrophobicContact CD1-CD 4.24Å; I111-K116 VanDerWaalsContact CD1-NZ 3.26Å; I111-K116 HydrophobicContact CG2-CD 3.85Å; I111-K116 HydrophobicContact CG2-CG 4.24Å | ||
| 112 | N | 56.9 | Low | 61 | Low | 147 Ų | 147 | 136.4 Ų | 136.4 | 79% | 0.786 | 66% | 0.664 | S | S | * | * | trans | -52.3 | 112.3 | 166 | -84.4 | -18 | 0 | 0 | 0 | 108 | K110 K114 | K110-N112 VanDerWaalsContact C-N 3.29Å; K110-N112 PolarHBondContact O-N 3.36Å; N112-K114 PolarHBondContact O-N 2.81Å | ||
| 113 | G | 53.1 | Low | 62.3 | Low | 62 Ų | 62 | 137.8 Ų | 137.8 | 64% | 0.639 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 24.5 | -155.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | I111 T117 | I111-G113 PolarHBondContact O-N 2.88Å; G113-T117 PolarHBondContact O-OG1 3.41Å |
| 114 | K | 56 | Low | 63.4 | Low | 198 Ų | 198 | 139.1 Ų | 139.1 | 86% | 0.861 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -24.8 | -173.1 | -67.1 | -172.7 | 178.4 | -178.3 | 0 | 115.3 | N112 | N112-K114 PolarHBondContact O-N 2.81Š|
| 115 | R | 53.3 | Low | 64.8 | Low | 234 Ų | 234 | 137 Ų | 137 | 88% | 0.883 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -96.4 | -20.3 | -171.4 | -144.7 | 172.4 | -172.9 | 163.4 | 1.1 | 115.5 | ||
| 116 | K | 53.4 | Low | 66.4 | Low | 128 Ų | 128 | 139.9 Ų | 139.9 | 56% | 0.557 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -87 | -17.4 | -179.1 | -65.9 | -167.8 | -176.3 | 177.6 | 0 | 113.8 | I111 K120 | I111-K116 HydrophobicContact CD1-CD 4.24Å; I111-K116 VanDerWaalsContact CD1-NZ 3.26Å; I111-K116 HydrophobicContact CG2-CD 3.85Å; I111-K116 HydrophobicContact CG2-CG 4.24Å; K116-K120 WeakPolarHBondContact O-CB 3.4Å; K116-K120 PolarHBondContact O-N 3.36Å |
| 117 | T | 58.7 | Low | 68 | Low | 66 Ų | 66 | 136.1 Ų | 136.1 | 41% | 0.405 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -74.6 | -43.5 | -175.4 | -14.6 | 0 | 0 | 0 | 0 | 111.7 | G113 R119 K120 Q121 | G113-T117 PolarHBondContact O-OG1 3.41Å; T117-R119 PolarHBondContact O-N 3.05Å; T117-K120 PolarHBondContact O-N 3.49Å; T117-Q121 WeakPolarHBondContact O-CB 3.33Å; T117-Q121 VanDerWaalsContact O-CG 3.25Å; T117-Q121 WeakPolarHBondContact O-CG 3.48Å; T117-Q121 PolarHBondContact O-N 3.46Å |
| 118 | A | 65.1 | Low | 69.5 | Low | 51 Ų | 51 | 132.6 Ų | 132.6 | 42% | 0.421 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.4 | -42.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q121 K122 | A118-Q121 PolarHBondContact O-N 2.85Å; A118-K122 WeakPolarHBondContact O-CB 3.41Å; A118-K122 WeakPolarHBondContact O-CG 3.46Å; A118-K122 PolarHBondContact O-N 3.02Å |
| 119 | R | 71.6 | Confident | 71 | Confident | 188 Ų | 188 | 128.2 Ų | 128.2 | 71% | 0.709 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.8 | -40 | 177 | -170.2 | 177 | 176.7 | 179 | 0.1 | 111.7 | T117 K122 M123 | T117-R119 PolarHBondContact O-N 3.05Å; R119-K122 PolarHBondContact O-N 3.46Å; R119-M123 HydrophobicContact CG-CE 4.28Å; R119-M123 WeakPolarHBondContact O-CG 3.34Å; R119-M123 PolarHBondContact O-N 3.1Å |
| 120 | K | 72.3 | Confident | 72.6 | Confident | 151 Ų | 151 | 126.4 Ų | 126.4 | 66% | 0.657 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64 | -43.6 | 174.1 | -88.8 | -172.8 | 171.6 | -174.2 | 0 | 112.1 | K116 T117 M123 F124 | K116-K120 WeakPolarHBondContact O-CB 3.4Å; K116-K120 PolarHBondContact O-N 3.36Å; T117-K120 PolarHBondContact O-N 3.49Å; K120-M123 HydrophobicContact CG-CE 4.16Å; K120-M123 PolarHBondContact O-N 3.35Å; K120-F124 WeakPolarHBondContact O-CB 3.42Å; K120-F124 PolarHBondContact O-N 2.99Å |
| 121 | Q | 74.9 | Confident | 74.1 | Confident | 112 Ų | 112 | 125.2 Ų | 125.2 | 52% | 0.523 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.9 | -44 | 176 | -76.8 | 171.2 | -16.6 | 0 | 0 | 111.4 | T117 A118 M123 F124 Q125 | T117-Q121 WeakPolarHBondContact O-CB 3.33Å; T117-Q121 VanDerWaalsContact O-CG 3.25Å; T117-Q121 WeakPolarHBondContact O-CG 3.48Å; T117-Q121 PolarHBondContact O-N 3.46Å; A118-Q121 PolarHBondContact O-N 2.85Å; Q121-M123 PolarHBondContact O-N 3.32Å; Q121-F124 PolarHBondContact O-N 3.44Å; Q121-Q125 WeakPolarHBondContact O-CB 3.47Å; Q121-Q125 WeakPolarHBondContact O-CG 3.48Å; Q121-Q125 PolarHBondContact O-N 3.01Å |
| 122 | K | 85.4 | Confident | 75.5 | Confident | 145 Ų | 145 | 128.7 Ų | 128.7 | 63% | 0.63 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.5 | -40.3 | 174.2 | -75.5 | -178.3 | 180 | -173 | 0 | 112.9 | A118 R119 R126 | A118-K122 WeakPolarHBondContact O-CB 3.41Å; A118-K122 WeakPolarHBondContact O-CG 3.46Å; A118-K122 PolarHBondContact O-N 3.02Å; R119-K122 PolarHBondContact O-N 3.46Å; K122-R126 WeakPolarHBondContact O-CB 3.36Å; K122-R126 WeakPolarHBondContact O-CG 3.35Å; K122-R126 PolarHBondContact O-N 3.28Å |
| 123 | M | 86.9 | Confident | 76.9 | Confident | 105 Ų | 105 | 128.7 Ų | 128.7 | 52% | 0.517 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.6 | -39 | 175.3 | -72 | -175.5 | -59.9 | 0 | 0 | 112 | R119 K120 Q121 R126 A127 | R119-M123 HydrophobicContact CG-CE 4.28Å; R119-M123 WeakPolarHBondContact O-CG 3.34Å; R119-M123 PolarHBondContact O-N 3.1Å; K120-M123 HydrophobicContact CG-CE 4.16Å; K120-M123 PolarHBondContact O-N 3.35Å; Q121-M123 PolarHBondContact O-N 3.32Å; M123-R126 PolarHBondContact O-N 3.48Å; M123-A127 WeakPolarHBondContact O-CB 3.38Å; M123-A127 PolarHBondContact O-N 3.49Å |
| 124 | F | 83.6 | Confident | 78.3 | Confident | 128 Ų | 128 | 128.7 Ų | 128.7 | 56% | 0.561 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.1 | -43.7 | 176.7 | -174.1 | -103.4 | 0 | 0 | 0 | 111.9 | K120 Q121 A127 Q128 | K120-F124 WeakPolarHBondContact O-CB 3.42Å; K120-F124 PolarHBondContact O-N 2.99Å; Q121-F124 PolarHBondContact O-N 3.44Å; F124-A127 PolarHBondContact O-N 3.02Å; F124-Q128 HydrophobicContact CE1-CG 4.26Å; F124-Q128 HydrophobicContact CZ-CG 4.46Å; F124-Q128 WeakPolarHBondContact O-CG 3.39Å; F124-Q128 PolarHBondContact O-N 3.4Å |
| 125 | Q | 86.7 | Confident | 79.4 | Confident | 122 Ų | 122 | 123.2 Ų | 123.2 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.1 | -46.8 | 173.3 | -74.8 | 173.3 | -11.1 | 0 | 0 | 111.5 | Q121 A127 Q128 E129 | Q121-Q125 WeakPolarHBondContact O-CB 3.47Å; Q121-Q125 WeakPolarHBondContact O-CG 3.48Å; Q121-Q125 PolarHBondContact O-N 3.01Å; Q125-A127 VanDerWaalsContact C-N 3.33Å; Q125-A127 PolarHBondContact O-N 3.46Å; Q125-Q128 PolarHBondContact O-N 3.27Å; Q125-E129 WeakPolarHBondContact O-CB 3.31Å; Q125-E129 PolarHBondContact O-N 2.9Å |
| 126 | R | 90.6 | Very high | 80.8 | Confident | 182 Ų | 182 | 115.6 Ų | 115.6 | 69% | 0.687 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61 | -39.6 | 175 | -81.9 | -175.7 | 175.2 | -174.4 | -1.7 | 112.8 | K122 M123 E129 L130 | K122-R126 WeakPolarHBondContact O-CB 3.36Å; K122-R126 WeakPolarHBondContact O-CG 3.35Å; K122-R126 PolarHBondContact O-N 3.28Å; M123-R126 PolarHBondContact O-N 3.48Å; R126-E129 PolarHBondContact O-N 3.25Å; R126-L130 WeakPolarHBondContact O-CB 3.36Å; R126-L130 WeakPolarHBondContact O-CG 3.31Å; R126-L130 PolarHBondContact O-N 3.33Å |
| 127 | A | 89.4 | Confident | 81.6 | Confident | 55 Ų | 55 | 116.2 Ų | 116.2 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M123 F124 Q125 R131 | M123-A127 WeakPolarHBondContact O-CB 3.38Å; M123-A127 PolarHBondContact O-N 3.49Å; F124-A127 PolarHBondContact O-N 3.02Å; Q125-A127 VanDerWaalsContact C-N 3.33Å; Q125-A127 PolarHBondContact O-N 3.46Å; A127-R131 WeakPolarHBondContact O-CB 3.41Å; A127-R131 PolarHBondContact O-N 2.92Å |
| 128 | Q | 91.2 | Very high | 82.1 | Confident | 88 Ų | 88 | 118.7 Ų | 118.7 | 41% | 0.411 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 173.7 | -74.6 | -172.6 | -20.1 | 0 | 0 | 112.4 | F124 Q125 R131 R132 | F124-Q128 HydrophobicContact CE1-CG 4.26Å; F124-Q128 HydrophobicContact CZ-CG 4.46Å; F124-Q128 WeakPolarHBondContact O-CG 3.39Å; F124-Q128 PolarHBondContact O-N 3.4Å; Q125-Q128 PolarHBondContact O-N 3.27Å; Q128-R131 WeakPolarHBondContact O-CB 3.27Å; Q128-R131 PolarHBondContact O-N 2.9Å; Q128-R132 WeakPolarHBondContact O-CG 3.18Å; Q128-R132 PolarHBondContact O-N 3.42Å |
| 129 | E | 91.4 | Very high | 82.3 | Confident | 88 Ų | 88 | 120.7 Ų | 120.7 | 41% | 0.411 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | 176.9 | -169.6 | -176 | 169.2 | 0 | 0 | 111.8 | Q125 R126 R131 R132 R133 | Q125-E129 WeakPolarHBondContact O-CB 3.31Å; Q125-E129 PolarHBondContact O-N 2.9Å; R126-E129 PolarHBondContact O-N 3.25Å; E129-R131 VanDerWaalsContact C-N 3.3Å; E129-R131 PolarHBondContact O-N 3.35Å; E129-R132 PolarHBondContact O-N 2.87Å; E129-R133 WeakPolarHBondContact O-CG 3.38Å; E129-R133 PolarHBondContact O-N 3.23Å; E129-R133 IonicContact OE1-CZ 3.2Å; E129-R133 IonicContact OE1-NH1 3.37Å; E129-R133 PolarHBondContact OE1-NH1 2.84Å; E129-R133 IonicContact OE1-NH2 2.66Å; E129-R133 PolarHBondContact OE1-NH2 3.39Å |
| 130 | L | 91 | Very high | 82.1 | Confident | 112 Ų | 112 | 117.2 Ų | 117.2 | 59% | 0.586 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.9 | -40.2 | 173.2 | -74.9 | 171.9 | 0 | 0 | 0 | 111.9 | R126 R133 A134 | R126-L130 WeakPolarHBondContact O-CB 3.36Å; R126-L130 WeakPolarHBondContact O-CG 3.31Å; R126-L130 PolarHBondContact O-N 3.33Å; L130-R133 PolarHBondContact O-N 3.47Å; L130-A134 WeakPolarHBondContact O-CB 3.31Å; L130-A134 PolarHBondContact O-N 3.43Å |
| 131 | R | 86.4 | Confident | 82.1 | Confident | 172 Ų | 172 | 116.5 Ų | 116.5 | 65% | 0.649 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.4 | -46.2 | 175.1 | -177.2 | 179 | 172 | 170.4 | 3.6 | 111.6 | A127 Q128 E129 R133 A134 E135 | A127-R131 WeakPolarHBondContact O-CB 3.41Å; A127-R131 PolarHBondContact O-N 2.92Å; Q128-R131 WeakPolarHBondContact O-CB 3.27Å; Q128-R131 PolarHBondContact O-N 2.9Å; E129-R131 VanDerWaalsContact C-N 3.3Å; E129-R131 PolarHBondContact O-N 3.35Å; R131-R133 PolarHBondContact O-N 3.5Å; R131-A134 PolarHBondContact O-N 2.91Å; R131-E135 WeakPolarHBondContact CG-OE1 3.31Å; R131-E135 IonicContact CZ-OE1 3.81Å; R131-E135 IonicContact NE-OE1 3.54Å; R131-E135 PolarHBondContact NE-OE1 3.47Å; R131-E135 IonicContact NH2-OE1 2.98Å; R131-E135 WeakPolarHBondContact O-CG 3.31Å; R131-E135 PolarHBondContact O-N 2.85Å |
| 132 | R | 87.4 | Confident | 81.7 | Confident | 169 Ų | 169 | 112.4 Ų | 112.4 | 64% | 0.638 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.9 | -45.1 | 175.8 | -72 | 179.2 | -178.1 | -178.6 | 0.5 | 111.6 | Q128 E129 A134 E135 D136 | Q128-R132 WeakPolarHBondContact O-CG 3.18Å; Q128-R132 PolarHBondContact O-N 3.42Å; E129-R132 PolarHBondContact O-N 2.87Å; R132-A134 VanDerWaalsContact C-N 3.34Å; R132-A134 PolarHBondContact O-N 3.1Å; R132-E135 PolarHBondContact O-N 3Å; R132-D136 WeakPolarHBondContact O-CB 3.25Å; R132-D136 VanDerWaalsContact O-CG 3.28Å; R132-D136 PolarHBondContact O-N 2.86Å |
| 133 | R | 85.6 | Confident | 81.1 | Confident | 147 Ų | 147 | 109 Ų | 109 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.5 | -40.2 | 175.4 | -75.8 | -174.7 | 177.8 | 130.6 | 8.9 | 112.9 | E129 L130 R131 D136 Y137 | E129-R133 WeakPolarHBondContact O-CG 3.38Å; E129-R133 PolarHBondContact O-N 3.23Å; E129-R133 IonicContact OE1-CZ 3.2Å; E129-R133 IonicContact OE1-NH1 3.37Å; E129-R133 PolarHBondContact OE1-NH1 2.84Å; E129-R133 IonicContact OE1-NH2 2.66Å; E129-R133 PolarHBondContact OE1-NH2 3.39Å; L130-R133 PolarHBondContact O-N 3.47Å; R131-R133 PolarHBondContact O-N 3.5Å; R133-D136 PolarHBondContact O-N 3.4Å; R133-Y137 VanDerWaalsContact O-CB 3.29Å; R133-Y137 WeakPolarHBondContact O-CB 3.4Å; R133-Y137 PolarHBondContact O-N 2.86Å |
| 134 | A | 82.9 | Confident | 80.2 | Confident | 61 Ų | 61 | 108.9 Ų | 108.9 | 50% | 0.504 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L130 R131 R132 Y137 H138 | L130-A134 WeakPolarHBondContact O-CB 3.31Å; L130-A134 PolarHBondContact O-N 3.43Å; R131-A134 PolarHBondContact O-N 2.91Å; R132-A134 VanDerWaalsContact C-N 3.34Å; R132-A134 PolarHBondContact O-N 3.1Å; A134-Y137 PolarHBondContact O-N 3.45Å; A134-H138 WeakPolarHBondContact O-CB 3.36Å; A134-H138 PolarHBondContact O-N 3.37Å |
| 135 | E | 79.9 | Confident | 79.4 | Confident | 83 Ų | 83 | 107.2 Ų | 107.2 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 174.6 | -72.8 | 172.9 | -166.7 | 0 | 0 | 111.2 | R131 R132 H138 K139 | R131-E135 WeakPolarHBondContact CG-OE1 3.31Å; R131-E135 IonicContact CZ-OE1 3.81Å; R131-E135 IonicContact NE-OE1 3.54Å; R131-E135 PolarHBondContact NE-OE1 3.47Å; R131-E135 IonicContact NH2-OE1 2.98Å; R131-E135 WeakPolarHBondContact O-CG 3.31Å; R131-E135 PolarHBondContact O-N 2.85Å; R132-E135 PolarHBondContact O-N 3Å; E135-H138 PolarHBondContact O-N 2.88Å; E135-K139 VanDerWaalsContact O-CG 3.31Å; E135-K139 WeakPolarHBondContact O-CG 3.38Å; E135-K139 PolarHBondContact O-N 2.85Å |
| 136 | D | 81.4 | Confident | 78.5 | Confident | 75 Ų | 75 | 103.1 Ų | 103.1 | 40% | 0.401 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.5 | -37.5 | 177.6 | -67.5 | -23.1 | 0 | 0 | 0 | 112.2 | R132 R133 H138 K139 C140 | R132-D136 WeakPolarHBondContact O-CB 3.25Å; R132-D136 VanDerWaalsContact O-CG 3.28Å; R132-D136 PolarHBondContact O-N 2.86Å; R133-D136 PolarHBondContact O-N 3.4Å; D136-H138 VanDerWaalsContact C-N 3.32Å; D136-H138 PolarHBondContact O-N 3.28Å; D136-K139 WeakPolarHBondContact O-CB 3.41Å; D136-K139 PolarHBondContact O-N 3.46Å; D136-K139 IonicContact OD1-NZ 2.83Å; D136-K139 PolarHBondContact OD1-NZ 3.47Å; D136-C140 PolarHBondContact O-N 2.85Å; D136-C140 PolarHBondContact O-SG 3.09Å |
| 137 | Y | 71.8 | Confident | 77.5 | Confident | 140 Ų | 140 | 99 Ų | 99 | 55% | 0.549 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 170.7 | -177.5 | -100.4 | 0 | 0 | 0 | 112 | R133 A134 K139 C140 K141 | R133-Y137 VanDerWaalsContact O-CB 3.29Å; R133-Y137 WeakPolarHBondContact O-CB 3.4Å; R133-Y137 PolarHBondContact O-N 2.86Å; A134-Y137 PolarHBondContact O-N 3.45Å; Y137-K139 VanDerWaalsContact C-N 3.35Å; Y137-C140 PolarHBondContact O-N 2.91Å; Y137-K141 HydrophobicContact CD1-CD 4.18Å; Y137-K141 HydrophobicContact CE1-CD 3.52Å; Y137-K141 HydrophobicContact CE1-CG 4.27Å; Y137-K141 HydrophobicContact CE2-CD 4.26Å; Y137-K141 WeakPolarHBondContact O-CB 3.35Å; Y137-K141 PolarHBondContact O-N 2.97Å; Y137-K141 WeakPolarHBondContact OH-CE 3.42Å; Y137-K141 PolarHBondContact OH-NZ 3.39Å |
| 138 | H | 69.4 | Low | 76.6 | Confident | 118 Ų | 118 | 103.8 Ų | 103.8 | 55% | 0.546 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 175.4 | -171.8 | 73.8 | 0 | 0 | 0 | 111.8 | A134 E135 D136 I142 | A134-H138 WeakPolarHBondContact O-CB 3.36Å; A134-H138 PolarHBondContact O-N 3.37Å; E135-H138 PolarHBondContact O-N 2.88Å; D136-H138 VanDerWaalsContact C-N 3.32Å; D136-H138 PolarHBondContact O-N 3.28Å; H138-I142 WeakPolarHBondContact CE1-CD1 3.41Å; H138-I142 WeakPolarHBondContact NE2-CD1 3.37Å; H138-I142 WeakPolarHBondContact O-CG1 3.25Å; H138-I142 PolarHBondContact O-N 3.14Å; H138-I142 VanDerWaalsContact O-N 3.15Å |
| 139 | K | 67.9 | Low | 75.6 | Confident | 94 Ų | 94 | 102.5 Ų | 102.5 | 41% | 0.409 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 172.6 | -71.6 | 171.8 | -159.5 | 156.8 | 0 | 111.5 | E135 D136 Y137 K141 I142 R147 | E135-K139 VanDerWaalsContact O-CG 3.31Å; E135-K139 WeakPolarHBondContact O-CG 3.38Å; E135-K139 PolarHBondContact O-N 2.85Å; D136-K139 WeakPolarHBondContact O-CB 3.41Å; D136-K139 PolarHBondContact O-N 3.46Å; D136-K139 IonicContact OD1-NZ 2.83Å; D136-K139 PolarHBondContact OD1-NZ 3.47Å; Y137-K139 VanDerWaalsContact C-N 3.35Å; K139-K141 VanDerWaalsContact C-N 3.34Å; K139-K141 PolarHBondContact O-N 3.47Å; K139-I142 VanDerWaalsContact O-O 3.08Å; K139-R147 VanDerWaalsContact CB-NH2 3.3Å; K139-R147 PolarHBondContact O-NH2 3.25Å |
| 140 | C | 68.3 | Low | 74.6 | Confident | 115 Ų | 115 | 102.4 Ų | 102.4 | 78% | 0.777 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.5 | -27.8 | -178.2 | -65.5 | 0 | 0 | 0 | 0 | 113 | D136 Y137 | D136-C140 PolarHBondContact O-N 2.85Å; D136-C140 PolarHBondContact O-SG 3.09Å; Y137-C140 PolarHBondContact O-N 2.91Å |
| 141 | K | 71.6 | Confident | 73.6 | Confident | 135 Ų | 135 | 100.8 Ų | 100.8 | 59% | 0.587 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -83.8 | -23.8 | 178.1 | -80.6 | -158.9 | 162.2 | -173 | 0 | 115 | Y137 K139 | Y137-K141 HydrophobicContact CD1-CD 4.18Å; Y137-K141 HydrophobicContact CE1-CD 3.52Å; Y137-K141 HydrophobicContact CE1-CG 4.27Å; Y137-K141 HydrophobicContact CE2-CD 4.26Å; Y137-K141 WeakPolarHBondContact O-CB 3.35Å; Y137-K141 PolarHBondContact O-N 2.97Å; Y137-K141 WeakPolarHBondContact OH-CE 3.42Å; Y137-K141 PolarHBondContact OH-NZ 3.39Å; K139-K141 VanDerWaalsContact C-N 3.34Å; K139-K141 PolarHBondContact O-N 3.47Å |
| 142 | I | 66.8 | Low | 73 | Confident | 27 Ų | 27 | 96.5 Ų | 96.5 | 14% | 0.138 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -107.3 | 112.4 | -179.5 | -54.5 | -171.8 | 0 | 0 | 0 | 109.4 | H138 K139 A146 R147 L150 | H138-I142 WeakPolarHBondContact CE1-CD1 3.41Å; H138-I142 WeakPolarHBondContact NE2-CD1 3.37Å; H138-I142 WeakPolarHBondContact O-CG1 3.25Å; H138-I142 PolarHBondContact O-N 3.14Å; H138-I142 VanDerWaalsContact O-N 3.15Å; K139-I142 VanDerWaalsContact O-O 3.08Å; I142-A146 HydrophobicContact CG2-CB 3.74Å; I142-R147 HydrophobicContact CB-CG 4.13Å; I142-R147 HydrophobicContact CG2-CB 4.49Å; I142-R147 HydrophobicContact CG2-CG 3.53Å; I142-R147 PolarHBondContact O-NE 3.48Å; I142-R147 VanDerWaalsContact O-NE 3.16Å; I142-L150 HydrophobicContact CD1-CD1 4.31Å |
| 143 | P | 72.9 | Confident | 72.3 | Confident | 72 Ų | 72 | 97 Ų | 97 | 47% | 0.468 | 50% | 0.503 | S | S | . | . | trans | -59.9 | 145.9 | 177.5 | 23.8 | -30.8 | 0 | 0 | 0 | 109.8 | S145 A146 R147 | P143-S145 PolarHBondContact O-N 2.88Å; P143-A146 HydrophobicContact CG-CB 3.77Å; P143-A146 PolarHBondContact O-N 3.3Å; P143-R147 PolarHBondContact O-N 2.93Å | ||
| 144 | P | 67.7 | Low | 71.8 | Confident | 104 Ų | 104 | 93.8 Ų | 93.8 | 68% | 0.675 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -51.3 | -34.4 | -176.5 | -28.2 | 34.5 | 0 | 0 | 0 | 113.9 | R147 | P144-R147 PolarHBondContact O-N 3.33Å |
| 145 | S | 67.6 | Low | 71.2 | Confident | 93 Ų | 93 | 99.9 Ų | 99.9 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 175.4 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | P143 R147 K148 A149 | P143-S145 PolarHBondContact O-N 2.88Å; S145-R147 VanDerWaalsContact C-N 3.32Å; S145-R147 PolarHBondContact O-N 3Å; S145-K148 PolarHBondContact O-N 3.35Å; S145-A149 PolarHBondContact O-N 2.92Å |
| 146 | A | 67.6 | Low | 70.7 | Confident | 35 Ų | 35 | 101.8 Ų | 101.8 | 29% | 0.289 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.3 | -26.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | I142 P143 K148 A149 L150 | I142-A146 HydrophobicContact CG2-CB 3.74Å; P143-A146 HydrophobicContact CG-CB 3.77Å; P143-A146 PolarHBondContact O-N 3.3Å; A146-K148 VanDerWaalsContact C-N 3.33Å; A146-K148 PolarHBondContact O-N 2.91Å; A146-A149 PolarHBondContact O-N 3.5Å; A146-L150 WeakPolarHBondContact O-CB 3.48Å; A146-L150 PolarHBondContact O-N 2.96Å |
| 147 | R | 68.4 | Low | 70 | Confident | 96 Ų | 96 | 100 Ų | 100 | 36% | 0.362 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 173.7 | -59.3 | -174.4 | -164.9 | 167.2 | 9.7 | 111.8 | K139 I142 P143 P144 S145 L150 C151 | K139-R147 VanDerWaalsContact CB-NH2 3.3Å; K139-R147 PolarHBondContact O-NH2 3.25Å; I142-R147 HydrophobicContact CB-CG 4.13Å; I142-R147 HydrophobicContact CG2-CB 4.49Å; I142-R147 HydrophobicContact CG2-CG 3.53Å; I142-R147 PolarHBondContact O-NE 3.48Å; I142-R147 VanDerWaalsContact O-NE 3.16Å; P143-R147 PolarHBondContact O-N 2.93Å; P144-R147 PolarHBondContact O-N 3.33Å; S145-R147 VanDerWaalsContact C-N 3.32Å; S145-R147 PolarHBondContact O-N 3Å; R147-L150 PolarHBondContact O-N 3.44Å; R147-C151 WeakPolarHBondContact O-CB 3.28Å; R147-C151 PolarHBondContact O-N 2.93Å; R147-C151 PolarHBondContact O-SG 3.17Å; R147-C151 VanDerWaalsContact O-SG 3.35Å |
| 148 | K | 70.5 | Confident | 69.6 | Low | 155 Ų | 155 | 95.3 Ų | 95.3 | 67% | 0.674 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.9 | -42.1 | 178.3 | -164.3 | 175.3 | -176.6 | -179.1 | 0 | 111.2 | S145 A146 C151 N152 | S145-K148 PolarHBondContact O-N 3.35Å; A146-K148 VanDerWaalsContact C-N 3.33Å; A146-K148 PolarHBondContact O-N 2.91Å; K148-C151 PolarHBondContact O-N 3.3Å; K148-N152 WeakPolarHBondContact O-CB 3.29Å; K148-N152 VanDerWaalsContact O-CG 3.24Å; K148-N152 PolarHBondContact O-N 2.99Å |
| 149 | A | 71.6 | Confident | 69.3 | Low | 61 Ų | 61 | 91.6 Ų | 91.6 | 50% | 0.504 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S145 A146 N152 W153 | S145-A149 PolarHBondContact O-N 2.92Å; A146-A149 PolarHBondContact O-N 3.5Å; A149-N152 PolarHBondContact O-N 3.26Å; A149-W153 WeakPolarHBondContact O-CB 3.29Å; A149-W153 PolarHBondContact O-N 2.91Å |
| 150 | L | 70.8 | Confident | 68.8 | Low | 86 Ų | 86 | 93.6 Ų | 93.6 | 45% | 0.45 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 176 | -113.5 | 136.4 | 0 | 0 | 0 | 112.5 | I142 A146 R147 N152 W153 V154 | I142-L150 HydrophobicContact CD1-CD1 4.31Å; A146-L150 WeakPolarHBondContact O-CB 3.48Å; A146-L150 PolarHBondContact O-N 2.96Å; R147-L150 PolarHBondContact O-N 3.44Å; L150-N152 VanDerWaalsContact C-N 3.33Å; L150-N152 PolarHBondContact O-N 2.91Å; L150-W153 PolarHBondContact O-N 3.19Å; L150-V154 WeakPolarHBondContact O-CB 3.29Å; L150-V154 VanDerWaalsContact O-CG2 3.3Å; L150-V154 WeakPolarHBondContact O-CG2 3.46Å; L150-V154 PolarHBondContact O-N 2.98Å |
| 151 | C | 68.4 | Low | 68.1 | Low | 78 Ų | 78 | 95 Ų | 95 | 53% | 0.527 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 176.3 | -76.1 | 0 | 0 | 0 | 0 | 112.2 | R147 K148 R155 | R147-C151 WeakPolarHBondContact O-CB 3.28Å; R147-C151 PolarHBondContact O-N 2.93Å; R147-C151 PolarHBondContact O-SG 3.17Å; R147-C151 VanDerWaalsContact O-SG 3.35Å; K148-C151 PolarHBondContact O-N 3.3Å; C151-R155 WeakPolarHBondContact O-CB 3.31Å; C151-R155 WeakPolarHBondContact O-CG 3.36Å; C151-R155 PolarHBondContact O-N 3.35Å |
| 152 | N | 74.2 | Confident | 67.1 | Low | 82 Ų | 82 | 97 Ų | 97 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.2 | -41 | 175.4 | -75.7 | -7 | 0 | 0 | 0 | 111.5 | K148 A149 L150 R155 M156 | K148-N152 WeakPolarHBondContact O-CB 3.29Å; K148-N152 VanDerWaalsContact O-CG 3.24Å; K148-N152 PolarHBondContact O-N 2.99Å; A149-N152 PolarHBondContact O-N 3.26Å; L150-N152 VanDerWaalsContact C-N 3.33Å; L150-N152 PolarHBondContact O-N 2.91Å; N152-R155 PolarHBondContact O-N 3.42Å; N152-M156 WeakPolarHBondContact O-CB 3.38Å; N152-M156 VanDerWaalsContact O-CG 3.28Å; N152-M156 WeakPolarHBondContact O-CG 3.17Å; N152-M156 PolarHBondContact O-N 3.23Å |
| 153 | W | 73.9 | Confident | 66.4 | Low | 179 Ų | 179 | 103.5 Ų | 103.5 | 68% | 0.678 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.6 | -42.8 | 176.2 | -176.1 | 74.3 | 0 | 0 | 0 | 112.5 | A149 L150 R155 M156 A157 | A149-W153 WeakPolarHBondContact O-CB 3.29Å; A149-W153 PolarHBondContact O-N 2.91Å; L150-W153 PolarHBondContact O-N 3.19Å; W153-R155 VanDerWaalsContact C-N 3.31Å; W153-R155 PolarHBondContact O-N 3.36Å; W153-M156 WeakPolarHBondContact O-CB 3.43Å; W153-M156 PolarHBondContact O-N 3.29Å; W153-A157 WeakPolarHBondContact O-CB 3.23Å; W153-A157 PolarHBondContact O-N 3.43Å |
| 154 | V | 74.1 | Confident | 65.5 | Low | 80 Ų | 80 | 105.3 Ų | 105.3 | 49% | 0.485 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.3 | -38 | 174.3 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | L150 A158 | L150-V154 WeakPolarHBondContact O-CB 3.29Å; L150-V154 VanDerWaalsContact O-CG2 3.3Å; L150-V154 WeakPolarHBondContact O-CG2 3.46Å; L150-V154 PolarHBondContact O-N 2.98Å; V154-A158 VanDerWaalsContact O-CB 3.24Å; V154-A158 WeakPolarHBondContact O-CB 3.46Å; V154-A158 PolarHBondContact O-N 3.32Å |
| 155 | R | 70.9 | Confident | 65 | Low | 190 Ų | 190 | 103 Ų | 103 | 72% | 0.717 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.3 | -43.5 | 174 | -81.7 | 179.8 | 169 | 179.6 | -4 | 112.5 | C151 N152 W153 A158 A159 | C151-R155 WeakPolarHBondContact O-CB 3.31Å; C151-R155 WeakPolarHBondContact O-CG 3.36Å; C151-R155 PolarHBondContact O-N 3.35Å; N152-R155 PolarHBondContact O-N 3.42Å; W153-R155 VanDerWaalsContact C-N 3.31Å; W153-R155 PolarHBondContact O-N 3.36Å; R155-A158 PolarHBondContact O-N 3.05Å; R155-A159 WeakPolarHBondContact O-CB 3.49Å; R155-A159 PolarHBondContact O-N 3.49Å |
| 156 | M | 69.1 | Low | 64.5 | Low | 123 Ų | 123 | 102.1 Ų | 102.1 | 61% | 0.606 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.3 | -52 | 174.5 | -81 | -79.8 | -50 | 0 | 0 | 111.2 | N152 W153 A158 A159 E160 | N152-M156 WeakPolarHBondContact O-CB 3.38Å; N152-M156 VanDerWaalsContact O-CG 3.28Å; N152-M156 WeakPolarHBondContact O-CG 3.17Å; N152-M156 PolarHBondContact O-N 3.23Å; W153-M156 WeakPolarHBondContact O-CB 3.43Å; W153-M156 PolarHBondContact O-N 3.29Å; M156-A158 VanDerWaalsContact C-N 3.29Å; M156-A158 PolarHBondContact O-N 3.08Å; M156-A159 CarbonylContact O-C 3.58Å; M156-A159 WeakPolarHBondContact O-CB 3.43Å; M156-A159 PolarHBondContact O-N 3.35Å; M156-A159 VanDerWaalsContact O-N 3.07Å; M156-E160 WeakPolarHBondContact O-CB 3.2Å; M156-E160 PolarHBondContact O-N 2.87Å |
| 157 | A | 66.8 | Low | 63.7 | Low | 38 Ų | 38 | 106.9 Ų | 106.9 | 31% | 0.314 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.7 | -36.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W153 H161 | W153-A157 WeakPolarHBondContact O-CB 3.23Å; W153-A157 PolarHBondContact O-N 3.43Å; A157-H161 VanDerWaalsContact O-CB 3.27Å; A157-H161 WeakPolarHBondContact O-CB 3.39Å; A157-H161 PolarHBondContact O-N 3.33Å |
| 158 | A | 62.8 | Low | 62.7 | Low | 41 Ų | 41 | 107.3 Ų | 107.3 | 34% | 0.339 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.4 | -35.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V154 R155 M156 R162 | V154-A158 VanDerWaalsContact O-CB 3.24Å; V154-A158 WeakPolarHBondContact O-CB 3.46Å; V154-A158 PolarHBondContact O-N 3.32Å; R155-A158 PolarHBondContact O-N 3.05Å; M156-A158 VanDerWaalsContact C-N 3.29Å; M156-A158 PolarHBondContact O-N 3.08Å; A158-R162 WeakPolarHBondContact O-CB 3.35Å; A158-R162 VanDerWaalsContact O-CD 3.3Å; A158-R162 WeakPolarHBondContact O-CD 3.21Å; A158-R162 WeakPolarHBondContact O-CG 3.44Å; A158-R162 PolarHBondContact O-N 3.15Å |
| 159 | A | 62.8 | Low | 61.5 | Low | 39 Ų | 39 | 108.9 Ų | 108.9 | 32% | 0.322 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.8 | -43 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R155 M156 R162 H163 | R155-A159 WeakPolarHBondContact O-CB 3.49Å; R155-A159 PolarHBondContact O-N 3.49Å; M156-A159 CarbonylContact O-C 3.58Å; M156-A159 WeakPolarHBondContact O-CB 3.43Å; M156-A159 PolarHBondContact O-N 3.35Å; M156-A159 VanDerWaalsContact O-N 3.07Å; A159-R162 WeakPolarHBondContact O-CA 3.36Å; A159-R162 WeakPolarHBondContact O-CB 3.15Å; A159-R162 PolarHBondContact O-N 3.23Å; A159-H163 PolarHBondContact O-CD2 3.5Å; A159-H163 PolarHBondContact O-N 3.47Å |
| 160 | E | 58.9 | Low | 60.3 | Low | 136 Ų | 136 | 116.8 Ų | 116.8 | 64% | 0.636 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.5 | -43.1 | 178.6 | -165.7 | 171.4 | -174.8 | 0 | 0 | 111.8 | M156 R162 H163 S164 | M156-E160 WeakPolarHBondContact O-CB 3.2Å; M156-E160 PolarHBondContact O-N 2.87Å; E160-R162 PolarHBondContact O-N 3Å; E160-H163 PolarHBondContact O-N 3.47Å; E160-S164 PolarHBondContact O-N 3.37Å |
| 161 | H | 52.8 | Low | 59.4 | Low | 146 Ų | 146 | 115.7 Ų | 115.7 | 68% | 0.676 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.7 | -23.4 | 171.5 | -167.9 | -67.6 | 0 | 0 | 0 | 112.9 | A157 S165 | A157-H161 VanDerWaalsContact O-CB 3.27Å; A157-H161 WeakPolarHBondContact O-CB 3.39Å; A157-H161 PolarHBondContact O-N 3.33Å; H161-S165 PolarHBondContact O-OG 2.8Å |
| 162 | R | 50.6 | Low | 58.3 | Low | 176 Ų | 176 | 122.6 Ų | 122.6 | 66% | 0.664 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -81.2 | -29.2 | 175.8 | -77.4 | 167.9 | -178 | -172.3 | -0 | 113.2 | A158 A159 E160 S165 | A158-R162 WeakPolarHBondContact O-CB 3.35Å; A158-R162 VanDerWaalsContact O-CD 3.3Å; A158-R162 WeakPolarHBondContact O-CD 3.21Å; A158-R162 WeakPolarHBondContact O-CG 3.44Å; A158-R162 PolarHBondContact O-N 3.15Å; A159-R162 WeakPolarHBondContact O-CA 3.36Å; A159-R162 WeakPolarHBondContact O-CB 3.15Å; A159-R162 PolarHBondContact O-N 3.23Å; E160-R162 PolarHBondContact O-N 3Å; R162-S165 PolarHBondContact O-OG 2.89Å |
| 163 | H | 52.3 | Low | 57.2 | Low | 163 Ų | 163 | 122.5 Ų | 122.5 | 76% | 0.755 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -76.8 | -28.6 | 174.9 | -68.4 | -63.2 | 0 | 0 | 0 | 112.4 | A159 E160 | A159-H163 PolarHBondContact O-CD2 3.5Å; A159-H163 PolarHBondContact O-N 3.47Å; E160-H163 PolarHBondContact O-N 3.47Å |
| 164 | S | 54.3 | Low | 56.4 | Low | 110 Ų | 110 | 118.2 Ų | 118.2 | 77% | 0.769 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -83.2 | -11.6 | 177.8 | -166 | 0 | 0 | 0 | 0 | 114.6 | E160 | E160-S164 PolarHBondContact O-N 3.37Š|
| 165 | S | 57.1 | Low | 55.4 | Low | 56 Ų | 56 | 118.4 Ų | 118.4 | 39% | 0.392 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -94.5 | -6.8 | -174.8 | 65.8 | 0 | 0 | 0 | 0 | 115 | H161 R162 L167 | H161-S165 PolarHBondContact O-OG 2.8Å; R162-S165 PolarHBondContact O-OG 2.89Å; S165-L167 PolarHBondContact O-N 3.13Å |
| 166 | G | 56.2 | Low | 54.6 | Low | 75 Ų | 75 | 116.2 Ų | 116.2 | 77% | 0.773 | 61% | 0.612 | S | S | * | * | trans | 60.9 | 13.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 167 | L | 51.6 | Low | 53.9 | Low | 135 Ų | 135 | 112.8 Ų | 112.8 | 71% | 0.707 | 60% | 0.598 | S | S | * | * | trans | -88.7 | 131.9 | -176.9 | -81.4 | 163.7 | 0 | 0 | 0 | 111.2 | S165 Y169 | S165-L167 PolarHBondContact O-N 3.13Å; L167-Y169 PolarHBondContact O-N 3.45Å | ||
| 168 | P | 47.4 | Very low | 53.4 | Low | 104 Ų | 104 | 115 Ų | 115 | 68% | 0.675 | 60% | 0.603 | S | S | * | * | trans | -63.6 | 135.1 | 179.2 | 24.6 | -32.1 | 0 | 0 | 0 | 111.2 | W170 | P168-W170 PolarHBondContact O-N 3.5Å; P168-W170 VanDerWaalsContact O-N 3.1Å | ||
| 169 | Y | 44.6 | Very low | 53.1 | Low | 189 Ų | 189 | 120.5 Ų | 120.5 | 74% | 0.741 | 62% | 0.62 | S | S | * | * | trans | -60.4 | 107.5 | 178.7 | 173.4 | -110.2 | 0 | 0 | 0 | 110.9 | L167 P171 | L167-Y169 PolarHBondContact O-N 3.45Å; Y169-P171 HydrophobicContact CD1-CG 4.09Å; Y169-P171 HydrophobicContact CE1-CB 3.66Å; Y169-P171 HydrophobicContact CE1-CG 3.53Å; Y169-P171 HydrophobicContact CE2-CB 4.31Å; Y169-P171 WeakPolarHBondContact O-CD 3.46Å; Y169-P171 WeakPolarHBondContact OH-CB 3.32Å | ||
| 170 | W | 46.8 | Very low | 53 | Low | 226 Ų | 226 | 123.9 Ų | 123.9 | 86% | 0.856 | 63% | 0.632 | S | S | * | * | trans | -94.7 | 105.1 | 156.9 | -85.3 | 88 | 0 | 0 | 0 | 107.7 | P168 Y172 | P168-W170 PolarHBondContact O-N 3.5Å; P168-W170 VanDerWaalsContact O-N 3.1Å; W170-Y172 PolarHBondContact O-N 3.04Å; W170-Y172 VanDerWaalsContact O-N 3.17Å | ||
| 171 | P | 51.4 | Low | 52.9 | Low | 64 Ų | 64 | 126.3 Ų | 126.3 | 42% | 0.416 | 64% | 0.636 | S | S | . | * | trans | -57.3 | 127.1 | 170.5 | 11.4 | -12.2 | 0 | 0 | 0 | 107.4 | Y169 L173 | Y169-P171 HydrophobicContact CD1-CG 4.09Å; Y169-P171 HydrophobicContact CE1-CB 3.66Å; Y169-P171 HydrophobicContact CE1-CG 3.53Å; Y169-P171 HydrophobicContact CE2-CB 4.31Å; Y169-P171 WeakPolarHBondContact O-CD 3.46Å; Y169-P171 WeakPolarHBondContact OH-CB 3.32Å; P171-L173 PolarHBondContact O-N 3.37Å | ||
| 172 | Y | 46.2 | Very low | 53 | Low | 222 Ų | 222 | 126.3 Ų | 126.3 | 87% | 0.871 | 64% | 0.638 | S | S | * | * | trans | -45.9 | 113.8 | 162.9 | -141.8 | -98.3 | 0 | 0 | 0 | 106.1 | W170 T174 | W170-Y172 PolarHBondContact O-N 3.04Å; W170-Y172 VanDerWaalsContact O-N 3.17Å; Y172-T174 VanDerWaalsContact C-N 3.35Å; Y172-T174 PolarHBondContact O-N 3.5Å | ||
| 173 | L | 50.9 | Low | 53.2 | Low | 81 Ų | 81 | 120.7 Ų | 120.7 | 42% | 0.424 | 64% | 0.635 | S | S | . | * | trans | -51.6 | 107.7 | 173.5 | -81.2 | 158.8 | 0 | 0 | 0 | 106.1 | P171 A175 T177 | P171-L173 PolarHBondContact O-N 3.37Å; L173-A175 PolarHBondContact O-N 2.92Å; L173-T177 HydrophobicContact CD2-CG2 3.53Å | ||
| 174 | T | 57.9 | Low | 53.5 | Low | 88 Ų | 88 | 120.7 Ų | 120.7 | 54% | 0.54 | 64% | 0.635 | S | S | . | * | trans | -50.2 | 140.2 | 173.8 | 11.9 | 0 | 0 | 0 | 0 | 107.4 | Y172 E176 T177 L178 | Y172-T174 VanDerWaalsContact C-N 3.35Å; Y172-T174 PolarHBondContact O-N 3.5Å; T174-E176 PolarHBondContact O-N 3.43Å; T174-T177 WeakPolarHBondContact O-CA 3.43Å; T174-T177 WeakPolarHBondContact O-CB 3.25Å; T174-T177 PolarHBondContact O-N 3.39Å; T174-T177 PolarHBondContact O-OG1 3.05Å; T174-T177 PolarHBondContact OG1-OG1 3.42Å; T174-L178 PolarHBondContact O-N 3.01Å | ||
| 175 | A | 52.9 | Low | 53.7 | Low | 84 Ų | 84 | 124 Ų | 124 | 69% | 0.694 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -51.5 | -27.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L173 L178 K179 | L173-A175 PolarHBondContact O-N 2.92Å; A175-L178 PolarHBondContact O-N 3.32Å; A175-K179 WeakPolarHBondContact O-CB 3.39Å; A175-K179 PolarHBondContact O-N 3.01Å |
| 176 | E | 53.3 | Low | 53.9 | Low | 145 Ų | 145 | 126.4 Ų | 126.4 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -63.4 | -41.4 | 172.6 | -151.4 | 142.7 | -147.5 | 0 | 0 | 113.7 | T174 K179 N180 | T174-E176 PolarHBondContact O-N 3.43Å; E176-K179 PolarHBondContact O-N 3.08Å; E176-N180 VanDerWaalsContact O-CG 3.25Å; E176-N180 PolarHBondContact O-N 3.02Å; E176-N180 PolarHBondContact O-ND2 3.28Å |
| 177 | T | 54.2 | Low | 54.2 | Low | 50 Ų | 50 | 128.5 Ų | 128.5 | 31% | 0.307 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -69.9 | -34.6 | 175.2 | -37.6 | 0 | 0 | 0 | 0 | 111.9 | L173 T174 R181 | L173-T177 HydrophobicContact CD2-CG2 3.53Å; T174-T177 WeakPolarHBondContact O-CA 3.43Å; T174-T177 WeakPolarHBondContact O-CB 3.25Å; T174-T177 PolarHBondContact O-N 3.39Å; T174-T177 PolarHBondContact O-OG1 3.05Å; T174-T177 PolarHBondContact OG1-OG1 3.42Å; T177-R181 PolarHBondContact O-N 3.44Å |
| 178 | L | 56.4 | Low | 54.8 | Low | 84 Ų | 84 | 127.3 Ų | 127.3 | 44% | 0.44 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -70.2 | -37.3 | 173.7 | -120.7 | 152.4 | 0 | 0 | 0 | 111.3 | T174 A175 R181 M182 | T174-L178 PolarHBondContact O-N 3.01Å; A175-L178 PolarHBondContact O-N 3.32Å; L178-R181 PolarHBondContact O-N 3.36Å; L178-M182 HydrophobicContact CB-CE 4.33Å; L178-M182 HydrophobicContact CD2-CE 3.55Å; L178-M182 HydrophobicContact CD2-SD 4.48Å; L178-M182 WeakPolarHBondContact O-CE 3.4Å; L178-M182 PolarHBondContact O-N 3.34Å; L178-M182 VanDerWaalsContact O-N 3.08Å |
| 179 | K | 57.3 | Low | 55.1 | Low | 158 Ų | 158 | 128.2 Ų | 128.2 | 69% | 0.687 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.1 | -40.9 | 176.6 | -160.2 | -179.6 | -178.4 | -170.5 | 0 | 112.2 | A175 E176 R181 M182 G183 | A175-K179 WeakPolarHBondContact O-CB 3.39Å; A175-K179 PolarHBondContact O-N 3.01Å; E176-K179 PolarHBondContact O-N 3.08Å; K179-R181 VanDerWaalsContact C-N 3.28Å; K179-R181 PolarHBondContact O-N 3.25Å; K179-M182 PolarHBondContact O-N 3.36Å; K179-G183 PolarHBondContact O-N 3.49Å; K179-G183 VanDerWaalsContact O-N 3.09Å |
| 180 | N | 59.3 | Low | 55.8 | Low | 109 Ų | 109 | 125.5 Ų | 125.5 | 58% | 0.583 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.2 | -27.2 | 176.4 | -67.1 | -16.1 | 0 | 0 | 0 | 113 | E176 | E176-N180 VanDerWaalsContact O-CG 3.25Å; E176-N180 PolarHBondContact O-N 3.02Å; E176-N180 PolarHBondContact O-ND2 3.28Å |
| 181 | R | 57.1 | Low | 56.3 | Low | 188 Ų | 188 | 123.8 Ų | 123.8 | 71% | 0.709 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -81.4 | -30 | 173.9 | -75.4 | -174.6 | 175.6 | -174.5 | -0.9 | 114.1 | T177 L178 K179 | T177-R181 PolarHBondContact O-N 3.44Å; L178-R181 PolarHBondContact O-N 3.36Å; K179-R181 VanDerWaalsContact C-N 3.28Å; K179-R181 PolarHBondContact O-N 3.25Å |
| 182 | M | 55.6 | Low | 56.1 | Low | 145 Ų | 145 | 133.1 Ų | 133.1 | 71% | 0.714 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -82 | -14.7 | 175.5 | -79.4 | -177.1 | -73.9 | 0 | 0 | 113.6 | L178 K179 | L178-M182 HydrophobicContact CB-CE 4.33Å; L178-M182 HydrophobicContact CD2-CE 3.55Å; L178-M182 HydrophobicContact CD2-SD 4.48Å; L178-M182 WeakPolarHBondContact O-CE 3.4Å; L178-M182 PolarHBondContact O-N 3.34Å; L178-M182 VanDerWaalsContact O-N 3.08Å; K179-M182 PolarHBondContact O-N 3.36Å |
| 183 | G | 55.1 | Low | 56.6 | Low | 59 Ų | 59 | 128.7 Ų | 128.7 | 61% | 0.608 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -0.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | K179 Q185 | K179-G183 PolarHBondContact O-N 3.49Å; K179-G183 VanDerWaalsContact O-N 3.09Å; G183-Q185 PolarHBondContact O-N 3.46Å |
| 184 | H | 57.7 | Low | 56.9 | Low | 162 Ų | 162 | 131.2 Ų | 131.2 | 75% | 0.75 | 71% | 0.707 | S | S | * | * | trans | -89.1 | 105.9 | 173.7 | -76.5 | 25 | 0 | 0 | 0 | 109.2 | ||||
| 185 | Q | 59.3 | Low | 56.8 | Low | 180 Ų | 180 | 133.6 Ų | 133.6 | 84% | 0.841 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 139.9 | 160.8 | -84.1 | -163.6 | -5.7 | 0 | 0 | 108.8 | G183 | G183-Q185 PolarHBondContact O-N 3.46Š|
| 186 | P | 61.2 | Low | 57 | Low | 107 Ų | 107 | 136.5 Ų | 136.5 | 70% | 0.695 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 141.6 | 167.6 | 26.3 | -31.4 | 0 | 0 | 0 | 108.9 | ||
| 187 | P | 62.3 | Low | 57.3 | Low | 118 Ų | 118 | 135.9 Ų | 135.9 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 143 | 175.8 | 25.2 | -32.5 | 0 | 0 | 0 | 109.5 | ||
| 188 | P | 64.6 | Low | 57.5 | Low | 111 Ų | 111 | 141.7 Ų | 141.7 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 146.1 | -178.6 | 24.6 | -32.6 | 0 | 0 | 0 | 110.3 | T190 | P188-T190 PolarHBondContact O-N 3.49Š|
| 189 | P | 52.4 | Low | 57.6 | Low | 122 Ų | 122 | 145.8 Ų | 145.8 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 123.5 | -177.9 | 24.8 | -32.5 | 0 | 0 | 0 | 109.8 | Q191 | P189-Q191 PolarHBondContact O-N 3.46Š|
| 190 | T | 60.2 | Low | 57.6 | Low | 132 Ų | 132 | 144.8 Ų | 144.8 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 116.7 | 172.6 | -46.2 | 0 | 0 | 0 | 0 | 108.3 | P188 Q192 | P188-T190 PolarHBondContact O-N 3.49Å; T190-Q192 PolarHBondContact O-N 3.41Å |
| 191 | Q | 56.6 | Low | 57.5 | Low | 191 Ų | 191 | 147.8 Ų | 147.8 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -76.8 | 107.1 | 168.6 | -75.6 | -116.2 | -7.1 | 0 | 0 | 108.6 | P189 | P189-Q191 PolarHBondContact O-N 3.46Š| ||
| 192 | Q | 47.4 | Very low | 57.5 | Low | 259 Ų | 259 | 144.2 Ų | 144.2 | 100% | 1.21 | 80% | 0.8 | S | S | * | * | trans | -146.4 | 0 | 152 | -69.8 | -163.9 | -14.6 | 0 | 0 | 108.9 | T190 | T190-Q192 PolarHBondContact O-N 3.41Š|
Retrieved 192 of 192 residues in 202.8 ms
(Link to these results)