| 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 | V | 82.1 | Confident | 91.5 | Very high | 146 Ų | 146 | 123.5 Ų | 123.5 | 89% | 0.885 | 57% | 0.572 | S | S | * | * | 0 | -55.9 | 0 | -173.1 | 0 | 0 | 0 | 0 | 113.5 | V3 W4 F5 | V1-V3 PolarHBondContact O-N 3.34Å; V1-W4 WeakPolarHBondContact O-CB 3.44Å; V1-W4 PolarHBondContact O-N 3.42Å; V1-F5 HydrophobicContact CG1-CD2 3.7Å; V1-F5 HydrophobicContact CG1-CE2 3.55Å; V1-F5 PolarHBondContact O-N 3.44Å | |||
| 2 | K | 94.1 | Very high | 91 | Very high | 194 Ų | 194 | 125.1 Ų | 125.1 | 84% | 0.843 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -51 | -48 | -179.2 | -174.3 | 177.8 | 177.4 | 179.6 | 0 | 114.3 | W4 F5 Q6 | K2-W4 VanDerWaalsContact C-N 3.32Å; K2-W4 PolarHBondContact O-N 2.86Å; K2-F5 PolarHBondContact O-N 3.04Å; K2-Q6 PolarHBondContact O-N 3.38Å; K2-Q6 VanDerWaalsContact O-N 3.13Å |
| 3 | V | 92.9 | Very high | 90.6 | Very high | 102 Ų | 102 | 126.9 Ų | 126.9 | 62% | 0.618 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.5 | -38 | 178.4 | 179 | 0 | 0 | 0 | 0 | 111.9 | V1 Q6 N7 | V1-V3 PolarHBondContact O-N 3.34Å; V3-Q6 PolarHBondContact O-N 3.5Å; V3-N7 WeakPolarHBondContact O-CB 3.33Å; V3-N7 VanDerWaalsContact O-CG 3.27Å; V3-N7 PolarHBondContact O-N 3.48Å; V3-N7 PolarHBondContact O-OD1 3.37Å |
| 4 | W | 95.7 | Very high | 90 | Very high | 163 Ų | 163 | 129.5 Ų | 129.5 | 62% | 0.617 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.7 | -46 | 179.9 | -177.8 | 86 | 0 | 0 | 0 | 112 | V1 K2 Q6 N7 R8 | V1-W4 WeakPolarHBondContact O-CB 3.44Å; V1-W4 PolarHBondContact O-N 3.42Å; K2-W4 VanDerWaalsContact C-N 3.32Å; K2-W4 PolarHBondContact O-N 2.86Å; W4-Q6 VanDerWaalsContact C-N 3.31Å; W4-Q6 PolarHBondContact O-N 2.92Å; W4-N7 PolarHBondContact O-N 3.22Å; W4-R8 WeakPolarHBondContact O-CB 3.47Å; W4-R8 PolarHBondContact O-N 3.05Å |
| 5 | F | 95.9 | Very high | 89.4 | Confident | 107 Ų | 107 | 128.5 Ų | 128.5 | 47% | 0.469 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64 | -36.6 | 175.2 | -81.8 | -78.6 | 0 | 0 | 0 | 112.3 | V1 K2 R8 R9 | V1-F5 HydrophobicContact CG1-CD2 3.7Å; V1-F5 HydrophobicContact CG1-CE2 3.55Å; V1-F5 PolarHBondContact O-N 3.44Å; K2-F5 PolarHBondContact O-N 3.04Å; F5-R8 PolarHBondContact O-N 3.34Å; F5-R9 WeakPolarHBondContact O-CG 3.48Å; F5-R9 PolarHBondContact O-N 3.05Å |
| 6 | Q | 91.7 | Very high | 88.6 | Confident | 92 Ų | 92 | 127.9 Ų | 127.9 | 43% | 0.43 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.9 | -50.4 | 175.2 | -170.9 | 62.4 | 18.8 | 0 | 0 | 111.2 | K2 V3 W4 R8 R9 T10 | K2-Q6 PolarHBondContact O-N 3.38Å; K2-Q6 VanDerWaalsContact O-N 3.13Å; V3-Q6 PolarHBondContact O-N 3.5Å; W4-Q6 VanDerWaalsContact C-N 3.31Å; W4-Q6 PolarHBondContact O-N 2.92Å; Q6-R8 VanDerWaalsContact C-N 3.28Å; Q6-R8 PolarHBondContact O-N 3.26Å; Q6-R9 PolarHBondContact O-N 3.31Å; Q6-T10 PolarHBondContact O-N 3.38Å; Q6-T10 PolarHBondContact O-OG1 2.95Å |
| 7 | N | 94.1 | Very high | 87.5 | Confident | 101 Ų | 101 | 121.7 Ų | 121.7 | 54% | 0.54 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.1 | -38.6 | 178.8 | -69.6 | -5.9 | 0 | 0 | 0 | 111.6 | V3 W4 T10 K11 | V3-N7 WeakPolarHBondContact O-CB 3.33Å; V3-N7 VanDerWaalsContact O-CG 3.27Å; V3-N7 PolarHBondContact O-N 3.48Å; V3-N7 PolarHBondContact O-OD1 3.37Å; W4-N7 PolarHBondContact O-N 3.22Å; N7-T10 PolarHBondContact O-N 3.38Å; N7-K11 WeakPolarHBondContact O-CB 3.44Å; N7-K11 PolarHBondContact O-N 3.46Å |
| 8 | R | 91.7 | Very high | 85.8 | Confident | 141 Ų | 141 | 123.6 Ų | 123.6 | 53% | 0.532 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.2 | -42.2 | 176.7 | -171.9 | 60.8 | 175.9 | 159.6 | -0.3 | 112.3 | W4 F5 Q6 K11 Y12 | W4-R8 WeakPolarHBondContact O-CB 3.47Å; W4-R8 PolarHBondContact O-N 3.05Å; F5-R8 PolarHBondContact O-N 3.34Å; Q6-R8 VanDerWaalsContact C-N 3.28Å; Q6-R8 PolarHBondContact O-N 3.26Å; R8-K11 PolarHBondContact O-N 3.36Å; R8-Y12 WeakPolarHBondContact O-CB 3.37Å; R8-Y12 PolarHBondContact O-N 2.97Å |
| 9 | R | 91.7 | Very high | 84.2 | Confident | 148 Ų | 148 | 120 Ų | 120 | 56% | 0.558 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.9 | -43.4 | 175 | -74.5 | -172.1 | -66.9 | -133 | 3.5 | 112.2 | F5 Q6 Y12 K13 | F5-R9 WeakPolarHBondContact O-CG 3.48Å; F5-R9 PolarHBondContact O-N 3.05Å; Q6-R9 PolarHBondContact O-N 3.31Å; R9-Y12 PolarHBondContact O-N 2.97Å; R9-K13 PolarHBondContact O-N 3Å |
| 10 | T | 86.3 | Confident | 82.9 | Confident | 47 Ų | 47 | 123 Ų | 123 | 29% | 0.288 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.9 | -42.8 | 177.2 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | Q6 N7 K13 R14 | Q6-T10 PolarHBondContact O-N 3.38Å; Q6-T10 PolarHBondContact O-OG1 2.95Å; N7-T10 PolarHBondContact O-N 3.38Å; T10-K13 PolarHBondContact O-N 3.32Å; T10-R14 PolarHBondContact O-N 3.45Å; T10-R14 VanDerWaalsContact O-N 3.12Å |
| 11 | K | 90.2 | Very high | 81.6 | Confident | 117 Ų | 117 | 122.9 Ų | 122.9 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60 | -46.6 | 174.5 | -173.7 | 173.3 | -177.7 | 177 | 0 | 111 | N7 R8 K13 R14 L15 | N7-K11 WeakPolarHBondContact O-CB 3.44Å; N7-K11 PolarHBondContact O-N 3.46Å; R8-K11 PolarHBondContact O-N 3.36Å; K11-K13 PolarHBondContact O-N 2.91Å; K11-R14 PolarHBondContact O-N 3Å; K11-L15 HydrophobicContact CD-CD1 4.49Å; K11-L15 HydrophobicContact CG-CD1 3.64Å; K11-L15 VanDerWaalsContact O-CD1 3.22Å; K11-L15 WeakPolarHBondContact O-CD1 3.35Å; K11-L15 PolarHBondContact O-N 3.5Å |
| 12 | Y | 85.1 | Confident | 80.2 | Confident | 143 Ų | 143 | 120.5 Ų | 120.5 | 56% | 0.561 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -58.6 | -47.7 | 177 | -176.2 | -89.6 | 0 | 0 | 0 | 112 | R8 R9 R14 L15 H16 | R8-Y12 WeakPolarHBondContact O-CB 3.37Å; R8-Y12 PolarHBondContact O-N 2.97Å; R9-Y12 PolarHBondContact O-N 2.97Å; Y12-R14 PolarHBondContact O-N 3.35Å; Y12-L15 PolarHBondContact O-N 3.41Å; Y12-H16 AromaticContact CD1-CD2 3.88Å; Y12-H16 AromaticContact CD2-CD2 3.4Å; Y12-H16 VanDerWaalsContact CD2-CD2 3.4Å; Y12-H16 WeakPolarHBondContact CD2-CD2 3.43Å; Y12-H16 AromaticContact CD2-NE2 3.57Å; Y12-H16 HydrophobicContact CE1-CB 4.42Å; Y12-H16 AromaticContact CE1-CD2 3.71Å; Y12-H16 AromaticContact CE2-CD2 3.23Å; Y12-H16 WeakPolarHBondContact CE2-CD2 3.38Å; Y12-H16 AromaticContact CE2-NE2 3.21Å; Y12-H16 WeakPolarHBondContact CE2-NE2 3.46Å; Y12-H16 AromaticContact CG-CD2 3.73Å; Y12-H16 AromaticContact CZ-CD2 3.39Å; Y12-H16 AromaticContact CZ-CG 4Å; Y12-H16 AromaticContact CZ-NE2 3.72Å; Y12-H16 PolarHBondContact O-CD2 2.94Å; Y12-H16 PolarHBondContact O-N 3.04Å |
| 13 | K | 86.9 | Confident | 78.2 | Confident | 149 Ų | 149 | 118.7 Ų | 118.7 | 65% | 0.648 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -55.3 | -49.2 | 176.7 | -77 | -168.7 | 173 | -164.6 | 0 | 111.9 | R9 T10 K11 L15 H16 T17 | R9-K13 PolarHBondContact O-N 3Å; T10-K13 PolarHBondContact O-N 3.32Å; K11-K13 PolarHBondContact O-N 2.91Å; K13-L15 VanDerWaalsContact C-N 3.29Å; K13-L15 PolarHBondContact O-N 3.45Å; K13-H16 PolarHBondContact O-N 3.32Å; K13-T17 PolarHBondContact O-N 3.25Å; K13-T17 PolarHBondContact O-OG1 3.29Å |
| 14 | R | 82.2 | Confident | 76.1 | Confident | 163 Ų | 163 | 118.1 Ų | 118.1 | 62% | 0.615 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.5 | -33.5 | 179.2 | -74.6 | 179.7 | -171.7 | 150.8 | 1.8 | 114.8 | T10 K11 Y12 I22 | T10-R14 PolarHBondContact O-N 3.45Å; T10-R14 VanDerWaalsContact O-N 3.12Å; K11-R14 PolarHBondContact O-N 3Å; Y12-R14 PolarHBondContact O-N 3.35Å; R14-I22 HydrophobicContact CB-CD1 4.42Å; R14-I22 HydrophobicContact CG-CD1 3.61Å |
| 15 | L | 80.1 | Confident | 74.1 | Confident | 114 Ų | 114 | 117.6 Ų | 117.6 | 60% | 0.597 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -81.3 | -22.8 | -179.3 | -91.4 | 113.9 | 0 | 0 | 0 | 113.3 | K11 Y12 K13 | K11-L15 HydrophobicContact CD-CD1 4.49Å; K11-L15 HydrophobicContact CG-CD1 3.64Å; K11-L15 VanDerWaalsContact O-CD1 3.22Å; K11-L15 WeakPolarHBondContact O-CD1 3.35Å; K11-L15 PolarHBondContact O-N 3.5Å; Y12-L15 PolarHBondContact O-N 3.41Å; K13-L15 VanDerWaalsContact C-N 3.29Å; K13-L15 PolarHBondContact O-N 3.45Å |
| 16 | H | 76.9 | Confident | 71.7 | Confident | 119 Ų | 119 | 117.5 Ų | 117.5 | 55% | 0.551 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -113.9 | -12.1 | -172.8 | -68.7 | -70.7 | 0 | 0 | 0 | 113.9 | Y12 K13 | Y12-H16 AromaticContact CD1-CD2 3.88Å; Y12-H16 AromaticContact CD2-CD2 3.4Å; Y12-H16 VanDerWaalsContact CD2-CD2 3.4Å; Y12-H16 WeakPolarHBondContact CD2-CD2 3.43Å; Y12-H16 AromaticContact CD2-NE2 3.57Å; Y12-H16 HydrophobicContact CE1-CB 4.42Å; Y12-H16 AromaticContact CE1-CD2 3.71Å; Y12-H16 AromaticContact CE2-CD2 3.23Å; Y12-H16 WeakPolarHBondContact CE2-CD2 3.38Å; Y12-H16 AromaticContact CE2-NE2 3.21Å; Y12-H16 WeakPolarHBondContact CE2-NE2 3.46Å; Y12-H16 AromaticContact CG-CD2 3.73Å; Y12-H16 AromaticContact CZ-CD2 3.39Å; Y12-H16 AromaticContact CZ-CG 4Å; Y12-H16 AromaticContact CZ-NE2 3.72Å; Y12-H16 PolarHBondContact O-CD2 2.94Å; Y12-H16 PolarHBondContact O-N 3.04Å; K13-H16 PolarHBondContact O-N 3.32Å |
| 17 | T | 70 | Confident | 69.2 | Low | 23 Ų | 23 | 120.3 Ų | 120.3 | 14% | 0.141 | 60% | 0.599 | C | S | . | * | S | Bend | trans | -104.3 | 108.2 | 165.1 | 67.8 | 0 | 0 | 0 | 0 | 106.4 | K13 G19 E21 | K13-T17 PolarHBondContact O-N 3.25Å; K13-T17 PolarHBondContact O-OG1 3.29Å; T17-G19 PolarHBondContact O-N 3.48Å; T17-E21 WeakPolarHBondContact CB-OE1 3.41Å; T17-E21 VanDerWaalsContact CG2-CD 3.48Å; T17-E21 HydrophobicContact CG2-CG 4.31Å; T17-E21 VanDerWaalsContact CG2-OE1 3.28Å; T17-E21 WeakPolarHBondContact CG2-OE1 3.43Å |
| 18 | D | 57.5 | Low | 66.7 | Low | 156 Ų | 156 | 121.5 Ų | 121.5 | 83% | 0.834 | 62% | 0.615 | S | S | * | * | trans | -62.1 | 68.3 | -176.6 | -77.9 | -35.2 | 0 | 0 | 0 | 112.4 | K20 | D18-K20 PolarHBondContact O-N 3.5Š| ||
| 19 | G | 55.5 | Low | 64.5 | Low | 55 Ų | 55 | 122.7 Ų | 122.7 | 57% | 0.567 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 61.4 | -4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | T17 | T17-G19 PolarHBondContact O-N 3.48Š|
| 20 | K | 57.8 | Low | 62.2 | Low | 179 Ų | 179 | 122.7 Ų | 122.7 | 78% | 0.778 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -91 | -9.7 | -162.5 | -137.7 | 168.9 | -175.1 | 176.5 | 0 | 115.3 | D18 | D18-K20 PolarHBondContact O-N 3.5Š|
| 21 | E | 54.9 | Low | 60.2 | Low | 121 Ų | 121 | 130 Ų | 130 | 57% | 0.565 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -119.8 | -7.8 | -167 | -54.4 | -175.6 | -143.4 | 0 | 0 | 113.8 | T17 | T17-E21 WeakPolarHBondContact CB-OE1 3.41Å; T17-E21 VanDerWaalsContact CG2-CD 3.48Å; T17-E21 HydrophobicContact CG2-CG 4.31Å; T17-E21 VanDerWaalsContact CG2-OE1 3.28Å; T17-E21 WeakPolarHBondContact CG2-OE1 3.43Å |
| 22 | I | 53.6 | Low | 57.8 | Low | 96 Ų | 96 | 133.6 Ų | 133.6 | 49% | 0.492 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -93.3 | -9.4 | -174 | -29.3 | 179.4 | 0 | 0 | 0 | 112.1 | R14 | R14-I22 HydrophobicContact CB-CD1 4.42Å; R14-I22 HydrophobicContact CG-CD1 3.61Å |
| 23 | L | 51.2 | Low | 55.5 | Low | 156 Ų | 156 | 131.5 Ų | 131.5 | 82% | 0.817 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -98 | -1.1 | 175.5 | -64.4 | 176.2 | 0 | 0 | 0 | 113.2 | ||
| 24 | S | 49.8 | Very low | 53.3 | Low | 90 Ų | 90 | 131.6 Ų | 131.6 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -96.6 | -8.7 | -170.4 | -55.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 25 | D | 52.2 | Low | 51.5 | Low | 152 Ų | 152 | 129.5 Ų | 129.5 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -114 | 19.4 | -173.3 | -77.3 | -20 | 0 | 0 | 0 | 113.9 | ||
| 26 | S | 46.8 | Very low | 49.8 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -137.9 | 107.2 | 177 | -65.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 27 | N | 38.3 | Very low | 48.3 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | trans | 90.4 | 58.3 | 163.7 | -134.7 | 41.1 | 0 | 0 | 0 | 118.3 | ||||
| 28 | S | 41.8 | Very low | 47.4 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 88% | 0.881 | 76% | 0.763 | S | S | * | * | trans | -109.7 | 73.4 | 156.7 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 29 | K | 45 | Very low | 47.1 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 73% | 0.726 | 76% | 0.762 | S | S | * | * | trans | -161.7 | 128.3 | 165.2 | -108.2 | 167.9 | -177.5 | 170.1 | 0 | 105 | ||||
| 30 | D | 43.3 | Very low | 46.9 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | 74.9 | 95.7 | -179.8 | -36.4 | -41.8 | 0 | 0 | 0 | 111.1 | ||||
| 31 | Q | 45 | Very low | 46.8 | Very low | 201 Ų | 201 | 141.1 Ų | 141.1 | 94% | 0.939 | 77% | 0.769 | S | S | * | * | -153 | 141.7 | 63.9 | -63 | -156.8 | -48.6 | 0 | 0 | 112.3 | |||||
| 32 | K | 39.1 | Very low | 46.5 | Very low | 193 Ų | 193 | 143 Ų | 143 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -117.8 | 123.2 | -170.5 | -177.6 | 176.7 | -177 | -175.7 | 0 | 105.6 | ||||
| 33 | S | 38.4 | Very low | 46.4 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | trans | 69.8 | 149.8 | 155.7 | -55.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 34 | L | 40.5 | Very low | 46.3 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | cis | 172 | 122.9 | -9.1 | -101.7 | 166.1 | 0 | 0 | 0 | 101.1 | ||||
| 35 | S | 43.9 | Very low | 46.3 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -165.6 | 119 | 152 | 53.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 36 | D | 45.5 | Very low | 46.4 | Very low | 151 Ų | 151 | 142 Ų | 142 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | trans | -65.8 | 138.7 | 176.9 | -61.1 | -59.5 | 0 | 0 | 0 | 111.7 | ||||
| 37 | D | 44.9 | Very low | 46.7 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -86.1 | 124.7 | 166.1 | -87.6 | -48.4 | 0 | 0 | 0 | 108.9 | ||||
| 38 | D | 51.5 | Low | 47.5 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -136.2 | 113.6 | 160.2 | -89 | -38.2 | 0 | 0 | 0 | 109 | ||||
| 39 | E | 50.5 | Low | 48.1 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 23.7 | 141.5 | 153.8 | -56 | -164.6 | 161 | 0 | 0 | 124 | ||||
| 40 | D | 50.7 | Low | 48.5 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 100.7 | 126.4 | 142.3 | -69.1 | -23.3 | 0 | 0 | 0 | 121.5 | ||||
| 41 | S | 56 | Low | 49 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | 113.7 | 98.7 | 137.5 | -153.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 42 | D | 49.4 | Very low | 49.2 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | 41.6 | 122.8 | 131.2 | -54.1 | -29.2 | 0 | 0 | 0 | 120.8 | ||||
| 43 | G | 50.2 | Low | 49.8 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | 179.9 | 106.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 44 | D | 48.8 | Very low | 50.3 | Low | 178 Ų | 178 | 141.1 Ų | 141.1 | 95% | 0.952 | 79% | 0.792 | S | S | * | * | trans | -56.1 | 157.2 | 176.7 | -82.8 | -48.8 | 0 | 0 | 0 | 116.9 | ||||
| 45 | G | 50 | Low | 50.4 | Low | 76 Ų | 76 | 142 Ų | 142 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 100.4 | 145.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 46 | D | 54.7 | Low | 50.7 | Low | 137 Ų | 137 | 144 Ų | 144 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | cis | -173.7 | 148.5 | -0.6 | -168.4 | 10.9 | 0 | 0 | 0 | 105.1 | ||||
| 47 | D | 54.1 | Low | 50.6 | Low | 121 Ų | 121 | 142.9 Ų | 142.9 | 65% | 0.647 | 79% | 0.788 | S | S | * | * | trans | 27.9 | 132 | 158.8 | -71.1 | -20.1 | 0 | 0 | 0 | 122.2 | ||||
| 48 | N | 53.5 | Low | 50.8 | Low | 140 Ų | 140 | 142 Ų | 142 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | 178.7 | 120.3 | 108.4 | -89.9 | -58.8 | 0 | 0 | 0 | 111.1 | |||||
| 49 | D | 55.7 | Low | 50.5 | Low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | 33.1 | 143.9 | 121.5 | -67.9 | -5.6 | 0 | 0 | 0 | 118.5 | |||||
| 50 | D | 53.6 | Low | 50.7 | Low | 127 Ų | 127 | 146.8 Ų | 146.8 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | cis | 178.5 | 163.5 | -1.2 | -167.7 | 0.3 | 0 | 0 | 0 | 102.3 | ||||
| 51 | D | 53.8 | Low | 50.4 | Low | 163 Ų | 163 | 146.6 Ų | 146.6 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | 152 | 88.5 | 152.8 | -76.8 | -21.1 | 0 | 0 | 0 | 110.4 | ||||
| 52 | E | 47.9 | Very low | 50.4 | Low | 164 Ų | 164 | 150.2 Ų | 150.2 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -74.8 | 172.4 | 162.7 | -68.4 | -159.5 | 157.1 | 0 | 0 | 112.8 | ||||
| 53 | E | 52 | Low | 50.7 | Low | 162 Ų | 162 | 146.8 Ų | 146.8 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | trans | 92.8 | 106.5 | 159.1 | -50.6 | -77.1 | -172.8 | 0 | 0 | 116.7 | ||||
| 54 | D | 48.4 | Very low | 50.9 | Low | 148 Ų | 148 | 150.7 Ų | 150.7 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | 171.9 | 115.3 | 91.3 | -131.4 | -17 | 0 | 0 | 0 | 110.7 | |||||
| 55 | D | 44.3 | Very low | 50.9 | Low | 170 Ų | 170 | 148 Ų | 148 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | -129.9 | 93.7 | -176.4 | -150.3 | 9.1 | 0 | 0 | 0 | 108.9 | ||||
| 56 | E | 48.6 | Very low | 51 | Low | 161 Ų | 161 | 149.8 Ų | 149.8 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | trans | -133.6 | 100.3 | -178.5 | -151.7 | 177.4 | -167.1 | 0 | 0 | 114.3 | ||||
| 57 | L | 44.5 | Very low | 50.8 | Low | 127 Ų | 127 | 148.7 Ų | 148.7 | 67% | 0.665 | 76% | 0.757 | S | S | * | * | trans | 64.1 | 103 | 135.6 | -55.6 | 175.3 | 0 | 0 | 0 | 121.5 | ||||
| 58 | V | 48.6 | Very low | 50.7 | Low | 141 Ų | 141 | 148.8 Ų | 148.8 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | trans | -138.3 | 99.4 | 140.6 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 59 | K | 46 | Very low | 50.4 | Low | 201 Ų | 201 | 146.2 Ų | 146.2 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | trans | -89.5 | 122.7 | 162.3 | -67.7 | -176.2 | 179 | 179.8 | 0 | 108.5 | ||||
| 60 | R | 52.8 | Low | 49.8 | Very low | 228 Ų | 228 | 146.4 Ų | 146.4 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | trans | -145.7 | 134.5 | 169.6 | -167.4 | 166.3 | 152.5 | 175.7 | -8.1 | 111 | ||||
| 61 | D | 46.4 | Very low | 49.5 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | trans | -47.9 | 125.2 | -163.1 | -74.5 | -60.5 | 0 | 0 | 0 | 117.8 | ||||
| 62 | E | 55.3 | Low | 49.1 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 84% | 0.836 | 72% | 0.717 | S | S | * | * | trans | -90.3 | 13.7 | 175.8 | -63.4 | -179.4 | 144.1 | 0 | 0 | 113.8 | ||||
| 63 | S | 55.7 | Low | 49.1 | Very low | 88 Ų | 88 | 139.7 Ų | 139.7 | 62% | 0.615 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -93.5 | -10 | -166.9 | 59.5 | 0 | 0 | 0 | 0 | 116 | ||
| 64 | E | 53.3 | Low | 48.8 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -99.6 | -21.3 | -177.2 | -65.7 | -176.2 | 168.6 | 0 | 0 | 114.1 | N66 | E64-N66 PolarHBondContact O-N 3.23Š|
| 65 | D | 49.6 | Very low | 48.8 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 65% | 0.647 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -18.1 | -177.2 | -82.7 | -16.1 | 0 | 0 | 0 | 113.9 | V67 | D65-V67 VanDerWaalsContact C-N 3.31Å; D65-V67 PolarHBondContact O-N 3.01Å |
| 66 | N | 52.4 | Low | 48.9 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 61% | 0.61 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -72.7 | -18.3 | -177 | -82.3 | -13.1 | 0 | 0 | 0 | 114.3 | E64 | E64-N66 PolarHBondContact O-N 3.23Å |
| 67 | V | 51.1 | Low | 48.8 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -83.1 | -27.6 | -178.3 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | D65 | D65-V67 VanDerWaalsContact C-N 3.31Å; D65-V67 PolarHBondContact O-N 3.01Å |
| 68 | L | 50.7 | Low | 48.9 | Very low | 123 Ų | 123 | 139 Ų | 139 | 64% | 0.644 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -77.8 | -27.5 | 179.1 | -89.5 | 131.8 | 0 | 0 | 0 | 113 | E70 | L68-E70 PolarHBondContact O-N 3.45Å |
| 69 | I | 48.3 | Very low | 48.8 | Very low | 86 Ų | 86 | 139 Ų | 139 | 44% | 0.441 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -69.2 | -34.5 | -177.1 | -66.3 | 166.5 | 0 | 0 | 0 | 111.5 | S71 I72 | I69-S71 VanDerWaalsContact C-N 3.32Å; I69-S71 PolarHBondContact O-N 3.02Å; I69-I72 PolarHBondContact O-N 3.41Å |
| 70 | E | 43.4 | Very low | 48.6 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -71.2 | -26.5 | -177.1 | -156.4 | 164.8 | -159.3 | 0 | 0 | 113.1 | L68 | L68-E70 PolarHBondContact O-N 3.45Å |
| 71 | S | 46.8 | Very low | 48.2 | Very low | 84 Ų | 84 | 136.6 Ų | 136.6 | 59% | 0.587 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -77.7 | -21.4 | 177.5 | -70.6 | 0 | 0 | 0 | 0 | 113.9 | I69 | I69-S71 VanDerWaalsContact C-N 3.32Å; I69-S71 PolarHBondContact O-N 3.02Å |
| 72 | I | 45 | Very low | 47.9 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 51% | 0.513 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -78.8 | -29 | -177.8 | -64 | 171.3 | 0 | 0 | 0 | 111.1 | I69 Q74 | I69-I72 PolarHBondContact O-N 3.41Å; I72-Q74 PolarHBondContact O-N 2.97Å |
| 73 | H | 47.7 | Very low | 47.1 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 59% | 0.593 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -18.2 | -175 | -69.5 | -179.2 | 0 | 0 | 0 | 114.5 | ||
| 74 | Q | 46 | Very low | 46.2 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 76% | 0.762 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -19.9 | -177.4 | -72.4 | -175.3 | -3.7 | 0 | 0 | 114.5 | I72 | I72-Q74 PolarHBondContact O-N 2.97Š|
| 75 | N | 48.1 | Very low | 45.5 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -96.5 | 0.2 | -171.1 | -75.4 | -35 | 0 | 0 | 0 | 115.5 | ||
| 76 | Q | 47.1 | Very low | 45.1 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 67% | 0.668 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -92.6 | -8.4 | -173.6 | -66.1 | -170.2 | -6.5 | 0 | 0 | 115.3 | N78 | Q76-N78 PolarHBondContact O-N 3.37Š|
| 77 | N | 45.4 | Very low | 44.5 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 8.9 | -168.4 | -75 | -15.4 | 0 | 0 | 0 | 116.7 | ||
| 78 | N | 46.5 | Very low | 44.1 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 86% | 0.861 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 15.9 | -170 | -83.8 | -5.5 | 0 | 0 | 0 | 117.5 | Q76 | Q76-N78 PolarHBondContact O-N 3.37Š|
| 79 | L | 48 | Very low | 43.4 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | trans | -112 | 84.7 | 177.1 | -82.3 | 145.3 | 0 | 0 | 0 | 112.1 | F81 | L79-F81 HydrophobicContact CB-CE2 4.29Å; L79-F81 HydrophobicContact CD2-CE2 3.94Å; L79-F81 HydrophobicContact CD2-CZ 4.06Å | ||
| 80 | K | 39.9 | Very low | 43.1 | Very low | 207 Ų | 207 | 149.5 Ų | 149.5 | 90% | 0.9 | 76% | 0.76 | S | S | * | * | trans | -84.5 | 113.6 | 163 | -90.9 | -177.9 | 173.3 | -175.7 | 0 | 109.4 | ||||
| 81 | F | 45.5 | Very low | 43 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | trans | -91.7 | 119.6 | 166.6 | -74.3 | -87.2 | 0 | 0 | 0 | 109.1 | L79 | L79-F81 HydrophobicContact CB-CE2 4.29Å; L79-F81 HydrophobicContact CD2-CE2 3.94Å; L79-F81 HydrophobicContact CD2-CZ 4.06Å | ||
| 82 | E | 40.2 | Very low | 42.7 | Very low | 190 Ų | 190 | 150.8 Ų | 150.8 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | -82.3 | 118 | 167.9 | -61.9 | -142.5 | 155.3 | 0 | 0 | 109.3 | E84 | E82-E84 PolarHBondContact O-N 3.5Š| ||
| 83 | N | 39 | Very low | 42.6 | Very low | 150 Ų | 150 | 155 Ų | 155 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -85.9 | 101.1 | 174.2 | -73.8 | -37.4 | 0 | 0 | 0 | 109.3 | T85 | N83-T85 PolarHBondContact O-N 2.99Š| ||
| 84 | E | 37.1 | Very low | 42.3 | Very low | 178 Ų | 178 | 154.1 Ų | 154.1 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -73.8 | 109.5 | 169.6 | -161.2 | 170.5 | -162.5 | 0 | 0 | 109.3 | E82 L86 | E82-E84 PolarHBondContact O-N 3.5Å; E84-L86 PolarHBondContact O-N 3.03Å; E84-L86 VanDerWaalsContact O-N 3.14Å | ||
| 85 | T | 37.7 | Very low | 42.4 | Very low | 138 Ų | 138 | 152 Ų | 152 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | -77.9 | 90.3 | -179.2 | 35.6 | 0 | 0 | 0 | 0 | 111.2 | N83 S87 | N83-T85 PolarHBondContact O-N 2.99Å; T85-S87 PolarHBondContact O-N 3.37Å | ||
| 86 | L | 40.7 | Very low | 42.2 | Very low | 157 Ų | 157 | 154.3 Ų | 154.3 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -75.2 | 123.1 | 172.1 | -81.6 | 155.2 | 0 | 0 | 0 | 111.8 | E84 | E84-L86 PolarHBondContact O-N 3.03Å; E84-L86 VanDerWaalsContact O-N 3.14Å | ||
| 87 | S | 40.1 | Very low | 41.9 | Very low | 95 Ų | 95 | 158.7 Ų | 158.7 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | trans | -54.8 | 135.4 | -176.1 | -167.9 | 0 | 0 | 0 | 0 | 114.3 | T85 H89 | T85-S87 PolarHBondContact O-N 3.37Å; S87-H89 PolarHBondContact O-N 3.36Å; S87-H89 VanDerWaalsContact O-N 3.12Å | ||
| 88 | K | 42 | Very low | 42 | Very low | 206 Ų | 206 | 159.7 Ų | 159.7 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | trans | -69.5 | 100.9 | 174 | -66.8 | 179 | 179.5 | 178.6 | 0 | 109.8 | ||||
| 89 | H | 36.9 | Very low | 41.7 | Very low | 177 Ų | 177 | 158.4 Ų | 158.4 | 82% | 0.819 | 81% | 0.81 | S | S | * | * | trans | -75.3 | 127.1 | 168.4 | -80.1 | -76.3 | 0 | 0 | 0 | 111.2 | S87 | S87-H89 PolarHBondContact O-N 3.36Å; S87-H89 VanDerWaalsContact O-N 3.12Å | ||
| 90 | S | 42.9 | Very low | 41.5 | Very low | 113 Ų | 113 | 156.9 Ų | 156.9 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -56.4 | 137.4 | 174.8 | -46.9 | 0 | 0 | 0 | 0 | 111.8 | S92 | S90-S92 PolarHBondContact O-N 2.99Š| ||
| 91 | I | 41 | Very low | 41.4 | Very low | 174 Ų | 174 | 152.1 Ų | 152.1 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | trans | -64.5 | 93.8 | 176.4 | -58.9 | 166.9 | 0 | 0 | 0 | 108.7 | ||||
| 92 | S | 40.5 | Very low | 41.1 | Very low | 88 Ų | 88 | 150.1 Ų | 150.1 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | trans | -103.8 | 108 | 176 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | S90 S94 | S90-S92 PolarHBondContact O-N 2.99Å; S92-S94 PolarHBondContact O-N 3.33Å; S92-S94 PolarHBondContact O-OG 3.31Å; S92-S94 VanDerWaalsContact O-OG 3.12Å | ||
| 93 | E | 42.7 | Very low | 41.1 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 41.1 | -1 | 154.4 | -74.4 | -174.7 | 133.8 | 0 | 0 | 122.6 | S95 | E93-S95 PolarHBondContact O-N 2.77Š|
| 94 | S | 40.2 | Very low | 41 | Very low | 110 Ų | 110 | 148.3 Ų | 148.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -86.2 | -9.2 | -169.2 | -56.9 | 0 | 0 | 0 | 0 | 114.5 | S92 K96 | S92-S94 PolarHBondContact O-N 3.33Å; S92-S94 PolarHBondContact O-OG 3.31Å; S92-S94 VanDerWaalsContact O-OG 3.12Å; S94-K96 VanDerWaalsContact C-N 3.26Å; S94-K96 PolarHBondContact O-N 3.42Å; S94-K96 VanDerWaalsContact O-N 3.13Å |
| 95 | S | 49.2 | Very low | 41 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -80.3 | 13.6 | -173.6 | -60 | 0 | 0 | 0 | 0 | 115.8 | E93 | E93-S95 PolarHBondContact O-N 2.77Š|
| 96 | K | 44.1 | Very low | 40.9 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -103.8 | 7 | -174.2 | -79.4 | -173.5 | 179 | 177 | 0 | 116.8 | S94 | S94-K96 VanDerWaalsContact C-N 3.26Å; S94-K96 PolarHBondContact O-N 3.42Å; S94-K96 VanDerWaalsContact O-N 3.13Å |
| 97 | R | 39.8 | Very low | 40.7 | Very low | 234 Ų | 234 | 150 Ų | 150 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -143.6 | 78.8 | -177.2 | -56.3 | -176.6 | -152.2 | -112 | 3.4 | 113.7 | ||||
| 98 | I | 47 | Very low | 40.4 | Very low | 163 Ų | 163 | 149.9 Ų | 149.9 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | -111 | 94.9 | 154.6 | -57.2 | 178 | 0 | 0 | 0 | 106.5 | V100 | I98-V100 HydrophobicContact CG2-CG2 4.03Å; I98-V100 PolarHBondContact O-N 3.35Å | ||
| 99 | N | 40.5 | Very low | 40 | Very low | 134 Ų | 134 | 150.1 Ų | 150.1 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | trans | -81.9 | 105.7 | 171 | -173.8 | 3.8 | 0 | 0 | 0 | 108.1 | N101 | N99-N101 PolarHBondContact O-N 3.43Å; N99-N101 PolarHBondContact OD1-OD1 3.08Å | ||
| 100 | V | 45.1 | Very low | 39.7 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 67% | 0.667 | 78% | 0.782 | S | S | * | * | trans | -84.9 | 86.4 | 176 | -169.2 | 0 | 0 | 0 | 0 | 107.8 | I98 T102 | I98-V100 HydrophobicContact CG2-CG2 4.03Å; I98-V100 PolarHBondContact O-N 3.35Å; V100-T102 PolarHBondContact O-N 3.23Å; V100-T102 VanDerWaalsContact O-N 3.09Å | ||
| 101 | N | 37.5 | Very low | 39.4 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 58% | 0.578 | 78% | 0.781 | S | S | * | * | trans | -69.3 | 101.9 | 167.4 | -83.4 | -3.8 | 0 | 0 | 0 | 108.6 | N99 F103 | N99-N101 PolarHBondContact O-N 3.43Å; N99-N101 PolarHBondContact OD1-OD1 3.08Å; N101-F103 PolarHBondContact O-N 3.04Å | ||
| 102 | T | 39.3 | Very low | 38.9 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -71.5 | 110.1 | 168.7 | 36.6 | 0 | 0 | 0 | 0 | 109.8 | V100 | V100-T102 PolarHBondContact O-N 3.23Å; V100-T102 VanDerWaalsContact O-N 3.09Å | ||
| 103 | F | 39.2 | Very low | 38.8 | Very low | 185 Ų | 185 | 151.5 Ų | 151.5 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -78.4 | 130.9 | 170.4 | -64.3 | -84.6 | 0 | 0 | 0 | 110.5 | N101 | N101-F103 PolarHBondContact O-N 3.04Š| ||
| 104 | S | 36.4 | Very low | 38.4 | Very low | 117 Ų | 117 | 150.7 Ų | 150.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -80.9 | 120.9 | 171.8 | -62.4 | 0 | 0 | 0 | 0 | 110.5 | Q106 | S104-Q106 PolarHBondContact O-N 2.98Š| ||
| 105 | I | 39 | Very low | 38.7 | Very low | 162 Ų | 162 | 153.3 Ų | 153.3 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -85.5 | 103.5 | 175.1 | -56.8 | 173.7 | 0 | 0 | 0 | 108.8 | ||||
| 106 | Q | 35.1 | Very low | 38.3 | Very low | 186 Ų | 186 | 157.2 Ų | 157.2 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | -92 | 128.7 | 162.7 | -78.7 | 180 | -20.6 | 0 | 0 | 108.7 | S104 P108 | S104-Q106 PolarHBondContact O-N 2.98Å; Q106-P108 WeakPolarHBondContact O-CD 3.5Å | ||
| 107 | N | 36.2 | Very low | 38.3 | Very low | 159 Ų | 159 | 157.1 Ų | 157.1 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -103.1 | 109.8 | -176.4 | -148.1 | 9.6 | 0 | 0 | 0 | 109.3 | ||||
| 108 | P | 34.5 | Very low | 38.8 | Very low | 94 Ų | 94 | 152.2 Ų | 152.2 | 61% | 0.61 | 79% | 0.786 | S | S | * | * | trans | -101.1 | 133.4 | 178.7 | 37.9 | -28.7 | 0 | 0 | 0 | 110.6 | Q106 | Q106-P108 WeakPolarHBondContact O-CD 3.5Š| ||
| 109 | Y | 33.6 | Very low | 38.9 | Very low | 211 Ų | 211 | 148.8 Ų | 148.8 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | 93.4 | 109.5 | 164.1 | -60.2 | -79.8 | 0 | 0 | 0 | 120.2 | ||||
| 110 | S | 30 | Very low | 40 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | -61.6 | 129.6 | 158.4 | 47.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 111 | F | 36.3 | Very low | 41.3 | Very low | 177 Ų | 177 | 149 Ų | 149 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -143 | 128.3 | 158.1 | -96.7 | -83.8 | 0 | 0 | 0 | 112.1 | ||||
| 112 | T | 30.3 | Very low | 42.7 | Very low | 132 Ų | 132 | 151 Ų | 151 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -99.1 | 110.7 | 178.9 | 44 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 113 | E | 38.3 | Very low | 43.5 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -169.7 | 120.9 | 157.7 | -119.4 | -179.4 | 176.8 | 0 | 0 | 110.8 | ||||
| 114 | N | 35.5 | Very low | 44.7 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | trans | -104.3 | 97.8 | -177.9 | -60.3 | -24.1 | 0 | 0 | 0 | 109.3 | ||||
| 115 | K | 45.2 | Very low | 46.1 | Very low | 165 Ų | 165 | 143.3 Ų | 143.3 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -103 | 122.5 | 164.3 | -77.3 | -178.5 | 179.2 | 174.1 | 0 | 109.2 | F117 | K115-F117 WeakPolarHBondContact O-CD2 3.26Å; K115-F117 PolarHBondContact O-N 3.45Å |
| 116 | Q | 40.8 | Very low | 47.1 | Very low | 200 Ų | 200 | 143.7 Ų | 143.7 | 94% | 0.935 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 116.4 | -176.7 | -172 | 171.6 | 11.2 | 0 | 0 | 110.5 | ||
| 117 | F | 44 | Very low | 48.4 | Very low | 192 Ų | 192 | 137.7 Ų | 137.7 | 84% | 0.842 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 132.8 | 175.5 | -76.4 | -85.4 | 0 | 0 | 0 | 110.7 | K115 | K115-F117 WeakPolarHBondContact O-CD2 3.26Å; K115-F117 PolarHBondContact O-N 3.45Å |
| 118 | T | 50.9 | Low | 49.7 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 81% | 0.81 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -84 | 145.2 | 170.4 | 41.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 119 | P | 48.4 | Very low | 51 | Low | 91 Ų | 91 | 134.7 Ų | 134.7 | 59% | 0.591 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 147 | 180 | -13.7 | 25.4 | 0 | 0 | 0 | 112.6 | C123 | P119-C123 HydrophobicContact CB-CB 4.4Š|
| 120 | S | 65.5 | Low | 52.1 | Low | 63 Ų | 63 | 127.8 Ų | 127.8 | 44% | 0.441 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 157.5 | 170.5 | 80.5 | 0 | 0 | 0 | 0 | 111.4 | E122 C123 Q124 | S120-E122 PolarHBondContact O-N 3.01Å; S120-E122 PolarHBondContact OG-OE2 3.43Å; S120-C123 WeakPolarHBondContact O-CB 3.42Å; S120-C123 PolarHBondContact O-N 3.47Å; S120-C123 VanDerWaalsContact O-N 3.15Å; S120-Q124 PolarHBondContact O-N 3.12Å |
| 121 | K | 70.7 | Confident | 53.2 | Low | 184 Ų | 184 | 130 Ų | 130 | 80% | 0.8 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -56.1 | -34.9 | 178.8 | -73.2 | -177.5 | 177.1 | -179.7 | 0 | 113.2 | Q124 Q125 | K121-Q124 PolarHBondContact O-N 2.9Å; K121-Q125 WeakPolarHBondContact O-CG 3.46Å; K121-Q125 PolarHBondContact O-N 3.31Å; K121-Q125 VanDerWaalsContact O-N 3.07Å |
| 122 | E | 67.6 | Low | 54 | Low | 150 Ų | 150 | 128 Ų | 128 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.7 | -38 | -179.7 | -63.2 | 138.3 | 170.9 | 0 | 0 | 111.8 | S120 Q124 Q125 Y126 | S120-E122 PolarHBondContact O-N 3.01Å; S120-E122 PolarHBondContact OG-OE2 3.43Å; E122-Q124 VanDerWaalsContact C-N 3.34Å; E122-Q125 PolarHBondContact O-N 3.31Å; E122-Y126 PolarHBondContact O-N 2.83Å; E122-Y126 VanDerWaalsContact O-N 3.16Å |
| 123 | C | 56.5 | Low | 54.9 | Low | 65 Ų | 65 | 128.4 Ų | 128.4 | 44% | 0.439 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -66.5 | -39.7 | 176.7 | -163.7 | 0 | 0 | 0 | 0 | 110.8 | P119 S120 Y126 I127 | P119-C123 HydrophobicContact CB-CB 4.4Å; S120-C123 WeakPolarHBondContact O-CB 3.42Å; S120-C123 PolarHBondContact O-N 3.47Å; S120-C123 VanDerWaalsContact O-N 3.15Å; C123-Y126 PolarHBondContact O-N 3Å; C123-I127 WeakPolarHBondContact O-CG1 3.45Å; C123-I127 PolarHBondContact O-N 2.74Å; C123-I127 VanDerWaalsContact O-N 3.13Å |
| 124 | Q | 63.1 | Low | 55.1 | Low | 84 Ų | 84 | 125.1 Ų | 125.1 | 39% | 0.393 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.7 | -44.1 | 176 | -167.4 | 59.6 | 52.7 | 0 | 0 | 111.8 | S120 K121 E122 Y126 I127 D128 | S120-Q124 PolarHBondContact O-N 3.12Å; K121-Q124 PolarHBondContact O-N 2.9Å; E122-Q124 VanDerWaalsContact C-N 3.34Å; Q124-Y126 VanDerWaalsContact C-N 3.33Å; Q124-Y126 PolarHBondContact O-N 3.19Å; Q124-I127 PolarHBondContact O-N 3.18Å; Q124-D128 PolarHBondContact NE2-OD1 3.14Å; Q124-D128 PolarHBondContact O-N 3.47Å |
| 125 | Q | 67.3 | Low | 55.6 | Low | 122 Ų | 122 | 123 Ų | 123 | 57% | 0.57 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -59.1 | -42.2 | 176.4 | -75.7 | 177.8 | -9.3 | 0 | 0 | 112.5 | K121 E122 D128 H129 | K121-Q125 WeakPolarHBondContact O-CG 3.46Å; K121-Q125 PolarHBondContact O-N 3.31Å; K121-Q125 VanDerWaalsContact O-N 3.07Å; E122-Q125 PolarHBondContact O-N 3.31Å; Q125-D128 PolarHBondContact O-N 3.02Å; Q125-H129 WeakPolarHBondContact O-CB 3.22Å; Q125-H129 PolarHBondContact O-CD2 3.26Å; Q125-H129 PolarHBondContact O-N 3.35Å |
| 126 | Y | 59.8 | Low | 55.4 | Low | 169 Ų | 169 | 123.1 Ų | 123.1 | 66% | 0.663 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.1 | -41.7 | 177.4 | -173.5 | -93.5 | 0 | 0 | 0 | 112.3 | E122 C123 Q124 D128 H129 S130 | E122-Y126 PolarHBondContact O-N 2.83Å; E122-Y126 VanDerWaalsContact O-N 3.16Å; C123-Y126 PolarHBondContact O-N 3Å; Q124-Y126 VanDerWaalsContact C-N 3.33Å; Q124-Y126 PolarHBondContact O-N 3.19Å; Y126-D128 VanDerWaalsContact C-N 3.35Å; Y126-H129 PolarHBondContact O-N 2.97Å; Y126-S130 WeakPolarHBondContact O-CB 3.25Å; Y126-S130 PolarHBondContact O-N 3.28Å; Y126-S130 PolarHBondContact O-OG 2.92Å |
| 127 | I | 63 | Low | 55.4 | Low | 60 Ų | 60 | 115.5 Ų | 115.5 | 31% | 0.308 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.8 | -43.8 | 175.7 | -67 | 166.3 | 0 | 0 | 0 | 110.3 | C123 Q124 S130 K131 | C123-I127 WeakPolarHBondContact O-CG1 3.45Å; C123-I127 PolarHBondContact O-N 2.74Å; C123-I127 VanDerWaalsContact O-N 3.13Å; Q124-I127 PolarHBondContact O-N 3.18Å; I127-S130 PolarHBondContact O-N 3.12Å; I127-S130 PolarHBondContact O-OG 3Å; I127-K131 HydrophobicContact CG2-CD 4.36Å; I127-K131 WeakPolarHBondContact O-CG 3.24Å; I127-K131 PolarHBondContact O-N 3.25Å; I127-K131 VanDerWaalsContact O-N 3.16Å |
| 128 | D | 63.1 | Low | 55.4 | Low | 69 Ų | 69 | 112 Ų | 112 | 37% | 0.369 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.4 | -41.1 | 179.8 | -63.2 | -20.1 | 0 | 0 | 0 | 111.6 | Q124 Q125 Y126 S130 K131 L132 | Q124-D128 PolarHBondContact NE2-OD1 3.14Å; Q124-D128 PolarHBondContact O-N 3.47Å; Q125-D128 PolarHBondContact O-N 3.02Å; Y126-D128 VanDerWaalsContact C-N 3.35Å; D128-S130 PolarHBondContact O-N 3.44Å; D128-K131 PolarHBondContact O-N 3.05Å; D128-L132 PolarHBondContact O-N 3.34Å |
| 129 | H | 60.9 | Low | 54.9 | Low | 121 Ų | 121 | 114.2 Ų | 114.2 | 56% | 0.56 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.9 | -36.3 | 173.8 | -79.7 | -63 | 0 | 0 | 0 | 113.1 | Q125 Y126 K131 | Q125-H129 WeakPolarHBondContact O-CB 3.22Å; Q125-H129 PolarHBondContact O-CD2 3.26Å; Q125-H129 PolarHBondContact O-N 3.35Å; Y126-H129 PolarHBondContact O-N 2.97Å; H129-K131 VanDerWaalsContact C-N 3.32Å; H129-K131 PolarHBondContact O-N 3.12Å |
| 130 | S | 56.3 | Low | 54.5 | Low | 66 Ų | 66 | 117.2 Ų | 117.2 | 46% | 0.462 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.4 | -28.2 | 176.8 | 71 | 0 | 0 | 0 | 0 | 113.5 | Y126 I127 D128 | Y126-S130 WeakPolarHBondContact O-CB 3.25Å; Y126-S130 PolarHBondContact O-N 3.28Å; Y126-S130 PolarHBondContact O-OG 2.92Å; I127-S130 PolarHBondContact O-N 3.12Å; I127-S130 PolarHBondContact O-OG 3Å; D128-S130 PolarHBondContact O-N 3.44Å |
| 131 | K | 53 | Low | 53.3 | Low | 150 Ų | 150 | 121 Ų | 121 | 65% | 0.652 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78.5 | -28.4 | 177.7 | -74.7 | 176.1 | 179.7 | 178.3 | 0 | 113.4 | I127 D128 H129 | I127-K131 HydrophobicContact CG2-CD 4.36Å; I127-K131 WeakPolarHBondContact O-CG 3.24Å; I127-K131 PolarHBondContact O-N 3.25Å; I127-K131 VanDerWaalsContact O-N 3.16Å; D128-K131 PolarHBondContact O-N 3.05Å; H129-K131 VanDerWaalsContact C-N 3.32Å; H129-K131 PolarHBondContact O-N 3.12Å |
| 132 | L | 54 | Low | 51.8 | Low | 135 Ų | 135 | 120.2 Ų | 120.2 | 71% | 0.707 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -77.1 | -26.6 | -178.5 | -89 | 153.9 | 0 | 0 | 0 | 114.1 | D128 | D128-L132 PolarHBondContact O-N 3.34Å |
| 133 | N | 49.2 | Very low | 50.4 | Low | 140 Ų | 140 | 119.8 Ų | 119.8 | 75% | 0.749 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 8.3 | -172 | -70.3 | -20.2 | 0 | 0 | 0 | 114.6 | ||
| 134 | N | 42.3 | Very low | 49.8 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 54% | 0.535 | 64% | 0.642 | S | S | . | * | trans | -147.9 | 86.4 | 179.1 | -155 | -8.2 | 0 | 0 | 0 | 112.4 | L136 | N134-L136 PolarHBondContact O-N 3.3Å; N134-L136 VanDerWaalsContact O-N 3.16Å | ||
| 135 | P | 46 | Very low | 48.8 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 81% | 0.805 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 1.5 | -178.7 | 13.2 | -5.8 | 0 | 0 | 0 | 114.3 | ||
| 136 | L | 41.9 | Very low | 47.6 | Very low | 168 Ų | 168 | 126.6 Ų | 126.6 | 88% | 0.88 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.4 | 6.1 | -174.2 | -143.7 | 72.3 | 0 | 0 | 0 | 114.5 | N134 | N134-L136 PolarHBondContact O-N 3.3Å; N134-L136 VanDerWaalsContact O-N 3.16Å |
| 137 | G | 40.7 | Very low | 46.8 | Very low | 40 Ų | 40 | 125.2 Ų | 125.2 | 41% | 0.412 | 67% | 0.674 | S | S | . | * | trans | -107.9 | 1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q139 | G137-Q139 PolarHBondContact O-N 3.4Š| ||
| 138 | S | 42.5 | Very low | 45.7 | Very low | 118 Ų | 118 | 127 Ų | 127 | 83% | 0.825 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 14.7 | -167.5 | 62.3 | 0 | 0 | 0 | 0 | 115.7 | ||
| 139 | Q | 42.3 | Very low | 44.8 | Very low | 179 Ų | 179 | 131.8 Ų | 131.8 | 84% | 0.836 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.4 | -2.8 | -170 | -137.8 | 159.7 | 9 | 0 | 0 | 115.9 | G137 | G137-Q139 PolarHBondContact O-N 3.4Š|
| 140 | I | 39.3 | Very low | 44 | Very low | 154 Ų | 154 | 130.4 Ų | 130.4 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -143 | 35.5 | -169.7 | -35.5 | -179.6 | 0 | 0 | 0 | 115.3 | ||
| 141 | I | 40.1 | Very low | 43.3 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | trans | -136.6 | 56.7 | 165.6 | -41 | 176.1 | 0 | 0 | 0 | 110.7 | ||||
| 142 | N | 38.7 | Very low | 42.9 | Very low | 167 Ų | 167 | 130.7 Ų | 130.7 | 89% | 0.893 | 72% | 0.715 | S | S | * | * | trans | -111.7 | 69.7 | 165.7 | -82.5 | -14.2 | 0 | 0 | 0 | 108.7 | ||||
| 143 | D | 39 | Very low | 42.3 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | trans | -161.6 | 44.7 | 164.4 | -134.3 | 2 | 0 | 0 | 0 | 115.4 | ||||
| 144 | L | 43.8 | Very low | 42.1 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 60% | 0.597 | 70% | 0.7 | S | S | * | * | trans | -128.3 | 38.8 | 171.4 | -69.6 | 175.5 | 0 | 0 | 0 | 112.3 | E146 | L144-E146 PolarHBondContact O-N 3.43Å; L144-E146 VanDerWaalsContact O-N 3.1Å | ||
| 145 | S | 41 | Very low | 42.2 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 8.8 | 176.6 | 57.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 146 | E | 42.3 | Very low | 42.1 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 85% | 0.85 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 10.8 | -179 | -88.7 | -168 | 159.3 | 0 | 0 | 115.8 | L144 S148 | L144-E146 PolarHBondContact O-N 3.43Å; L144-E146 VanDerWaalsContact O-N 3.1Å; E146-S148 PolarHBondContact O-N 3.35Å |
| 147 | K | 44.7 | Very low | 42.5 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 61% | 0.609 | 68% | 0.681 | S | S | * | * | trans | -88.5 | 71.1 | -177.3 | -66.5 | -175.8 | -179.4 | -179.7 | 0 | 113.1 | I150 | K147-I150 HydrophobicContact CB-CD1 4.33Å; K147-I150 HydrophobicContact CD-CD1 3.88Å; K147-I150 HydrophobicContact CG-CD1 4Å | ||
| 148 | S | 39 | Very low | 43.1 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 68% | 0.678 | 69% | 0.689 | S | S | * | * | trans | -95.4 | 135.6 | 153.2 | 79.2 | 0 | 0 | 0 | 0 | 108.8 | E146 | E146-S148 PolarHBondContact O-N 3.35Š| ||
| 149 | K | 44.3 | Very low | 43.9 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 74% | 0.739 | 67% | 0.674 | S | S | * | * | trans | 81.3 | 44.4 | 173.4 | -51.9 | -178.6 | 176.7 | -176.8 | 0 | 118.8 | S151 | K149-S151 VanDerWaalsContact C-N 3.29Å; K149-S151 PolarHBondContact O-N 3.1Å | ||
| 150 | I | 43.5 | Very low | 44.6 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 47% | 0.472 | 66% | 0.656 | S | S | . | * | trans | -90.4 | 72.9 | 164.7 | -89.6 | 161.4 | 0 | 0 | 0 | 109.3 | K147 T154 | K147-I150 HydrophobicContact CB-CD1 4.33Å; K147-I150 HydrophobicContact CD-CD1 3.88Å; K147-I150 HydrophobicContact CG-CD1 4Å; I150-T154 HydrophobicContact CB-CG2 3.95Å; I150-T154 HydrophobicContact CD1-CG2 3.77Å; I150-T154 HydrophobicContact CG1-CG2 3.6Å; I150-T154 HydrophobicContact CG2-CG2 3.15Å; I150-T154 WeakPolarHBondContact CG2-OG1 3.49Å | ||
| 151 | S | 42.4 | Very low | 45.7 | Very low | 90 Ų | 90 | 126 Ų | 126 | 63% | 0.629 | 64% | 0.644 | S | S | * | * | trans | -84.1 | 118.3 | 171.8 | 56.2 | 0 | 0 | 0 | 0 | 109.4 | K149 Y153 | K149-S151 VanDerWaalsContact C-N 3.29Å; K149-S151 PolarHBondContact O-N 3.1Å; S151-Y153 PolarHBondContact O-N 2.88Å | ||
| 152 | D | 45 | Very low | 46.9 | Very low | 132 Ų | 132 | 124.5 Ų | 124.5 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 52.1 | -27.5 | 170.8 | -63.7 | -28.3 | 0 | 0 | 0 | 119.6 | T154 K155 Y156 | D152-T154 PolarHBondContact O-N 3.04Å; D152-K155 PolarHBondContact O-N 3.5Å; D152-Y156 WeakPolarHBondContact O-CD2 3.15Å |
| 153 | Y | 39.7 | Very low | 48.1 | Very low | 198 Ų | 198 | 122.6 Ų | 122.6 | 78% | 0.776 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.8 | -30.4 | -175.9 | -123.5 | -89.8 | 0 | 0 | 0 | 113.1 | S151 K155 Y156 A157 | S151-Y153 PolarHBondContact O-N 2.88Å; Y153-K155 VanDerWaalsContact C-N 3.31Å; Y153-Y156 PolarHBondContact O-N 3.17Å; Y153-A157 WeakPolarHBondContact O-CB 3.39Å; Y153-A157 PolarHBondContact O-N 2.88Å |
| 154 | T | 46.5 | Very low | 49.3 | Very low | 58 Ų | 58 | 120.3 Ų | 120.3 | 36% | 0.356 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -76.3 | -19.3 | 175.8 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | I150 D152 Y156 W158 | I150-T154 HydrophobicContact CB-CG2 3.95Å; I150-T154 HydrophobicContact CD1-CG2 3.77Å; I150-T154 HydrophobicContact CG1-CG2 3.6Å; I150-T154 HydrophobicContact CG2-CG2 3.15Å; I150-T154 WeakPolarHBondContact CG2-OG1 3.49Å; D152-T154 PolarHBondContact O-N 3.04Å; T154-Y156 VanDerWaalsContact C-N 3.31Å; T154-W158 WeakPolarHBondContact O-CA 3.36Å; T154-W158 WeakPolarHBondContact O-CB 3.19Å; T154-W158 PolarHBondContact O-N 3.22Å |
| 155 | K | 44.2 | Very low | 50.4 | Low | 154 Ų | 154 | 120 Ų | 120 | 67% | 0.67 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.8 | -40.2 | 174.7 | -157.3 | 174.4 | -176 | 179.1 | 0 | 110.3 | D152 Y153 N159 | D152-K155 PolarHBondContact O-N 3.5Å; Y153-K155 VanDerWaalsContact C-N 3.31Å; K155-N159 PolarHBondContact O-N 3.21Å |
| 156 | Y | 42.2 | Very low | 51.4 | Low | 174 Ų | 174 | 118 Ų | 118 | 68% | 0.682 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -74 | -42.5 | 174.2 | -64.4 | -75.4 | 0 | 0 | 0 | 112.4 | D152 Y153 T154 W158 N159 S160 | D152-Y156 WeakPolarHBondContact O-CD2 3.15Å; Y153-Y156 PolarHBondContact O-N 3.17Å; T154-Y156 VanDerWaalsContact C-N 3.31Å; Y156-W158 VanDerWaalsContact C-N 3.34Å; Y156-W158 PolarHBondContact O-N 2.68Å; Y156-N159 PolarHBondContact O-N 2.78Å; Y156-S160 PolarHBondContact O-N 3.48Å; Y156-S160 VanDerWaalsContact O-N 3.14Å; Y156-S160 PolarHBondContact O-OG 3.42Å |
| 157 | A | 52.3 | Low | 52.3 | Low | 56 Ų | 56 | 113.8 Ų | 113.8 | 46% | 0.463 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.3 | -36 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y153 S160 L161 | Y153-A157 WeakPolarHBondContact O-CB 3.39Å; Y153-A157 PolarHBondContact O-N 2.88Å; A157-S160 PolarHBondContact O-N 3.18Å; A157-L161 WeakPolarHBondContact O-CB 3.46Å; A157-L161 PolarHBondContact O-N 3.45Å |
| 158 | W | 53.2 | Low | 52.9 | Low | 154 Ų | 154 | 112.1 Ų | 112.1 | 58% | 0.583 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.1 | -40.1 | 177.2 | -173.5 | -104.7 | 0 | 0 | 0 | 111.7 | T154 Y156 S160 L161 K162 | T154-W158 WeakPolarHBondContact O-CA 3.36Å; T154-W158 WeakPolarHBondContact O-CB 3.19Å; T154-W158 PolarHBondContact O-N 3.22Å; Y156-W158 VanDerWaalsContact C-N 3.34Å; Y156-W158 PolarHBondContact O-N 2.68Å; W158-S160 VanDerWaalsContact C-N 3.34Å; W158-S160 PolarHBondContact O-N 2.79Å; W158-L161 HydrophobicContact CE3-CD2 4.39Å; W158-L161 HydrophobicContact CZ3-CD2 4.28Å; W158-L161 PolarHBondContact O-N 2.89Å; W158-K162 WeakPolarHBondContact O-CB 3.28Å; W158-K162 PolarHBondContact O-N 3.3Å |
| 159 | N | 57.7 | Low | 53.5 | Low | 96 Ų | 96 | 111.6 Ų | 111.6 | 51% | 0.513 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62 | -43 | 174.5 | -79.6 | -11.8 | 0 | 0 | 0 | 111.5 | K155 Y156 K162 Q163 | K155-N159 PolarHBondContact O-N 3.21Å; Y156-N159 PolarHBondContact O-N 2.78Å; N159-K162 PolarHBondContact O-N 2.89Å; N159-Q163 VanDerWaalsContact O-CB 3.25Å; N159-Q163 WeakPolarHBondContact O-CB 3.21Å; N159-Q163 PolarHBondContact O-N 3.48Å |
| 160 | S | 57.9 | Low | 53.8 | Low | 65 Ų | 65 | 108.9 Ų | 108.9 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 174.9 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | Y156 A157 W158 Q163 I164 | Y156-S160 PolarHBondContact O-N 3.48Å; Y156-S160 VanDerWaalsContact O-N 3.14Å; Y156-S160 PolarHBondContact O-OG 3.42Å; A157-S160 PolarHBondContact O-N 3.18Å; W158-S160 VanDerWaalsContact C-N 3.34Å; W158-S160 PolarHBondContact O-N 2.79Å; S160-Q163 PolarHBondContact O-N 3.23Å; S160-I164 WeakPolarHBondContact O-CB 3.36Å; S160-I164 WeakPolarHBondContact O-CD1 3.47Å; S160-I164 WeakPolarHBondContact O-CG1 3.46Å; S160-I164 PolarHBondContact O-N 3.2Å |
| 161 | L | 61.4 | Low | 54 | Low | 104 Ų | 104 | 108.6 Ų | 108.6 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 179.4 | -161.5 | 78.4 | 0 | 0 | 0 | 111.8 | A157 W158 I164 H165 | A157-L161 WeakPolarHBondContact O-CB 3.46Å; A157-L161 PolarHBondContact O-N 3.45Å; W158-L161 HydrophobicContact CE3-CD2 4.39Å; W158-L161 HydrophobicContact CZ3-CD2 4.28Å; W158-L161 PolarHBondContact O-N 2.89Å; L161-I164 PolarHBondContact O-N 3.07Å; L161-H165 WeakPolarHBondContact O-CB 3.46Å; L161-H165 PolarHBondContact O-N 3.38Å |
| 162 | K | 65.4 | Low | 54.2 | Low | 112 Ų | 112 | 108.4 Ų | 108.4 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 175.3 | -173.3 | 179.5 | -179.8 | -174.8 | 0 | 110.9 | W158 N159 I164 H165 D166 | W158-K162 WeakPolarHBondContact O-CB 3.28Å; W158-K162 PolarHBondContact O-N 3.3Å; N159-K162 PolarHBondContact O-N 2.89Å; K162-I164 VanDerWaalsContact C-N 3.34Å; K162-I164 PolarHBondContact O-N 3.41Å; K162-H165 WeakPolarHBondContact O-CB 3.44Å; K162-H165 PolarHBondContact O-N 2.85Å; K162-D166 WeakPolarHBondContact O-CB 3.42Å; K162-D166 PolarHBondContact O-N 2.91Å |
| 163 | Q | 64.2 | Low | 54.2 | Low | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.1 | -39.2 | 176 | -169.1 | 173.7 | 41 | 0 | 0 | 111.8 | N159 S160 N167 | N159-Q163 VanDerWaalsContact O-CB 3.25Å; N159-Q163 WeakPolarHBondContact O-CB 3.21Å; N159-Q163 PolarHBondContact O-N 3.48Å; S160-Q163 PolarHBondContact O-N 3.23Å; Q163-N167 VanDerWaalsContact O-CB 3.24Å; Q163-N167 WeakPolarHBondContact O-CB 3.19Å; Q163-N167 PolarHBondContact O-N 3.4Å; Q163-N167 PolarHBondContact O-ND2 2.72Å |
| 164 | I | 64.3 | Low | 54.7 | Low | 94 Ų | 94 | 98.7 Ų | 98.7 | 48% | 0.482 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 172.5 | -69.4 | 163.2 | 0 | 0 | 0 | 110.5 | S160 L161 K162 N167 L168 | S160-I164 WeakPolarHBondContact O-CB 3.36Å; S160-I164 WeakPolarHBondContact O-CD1 3.47Å; S160-I164 WeakPolarHBondContact O-CG1 3.46Å; S160-I164 PolarHBondContact O-N 3.2Å; L161-I164 PolarHBondContact O-N 3.07Å; K162-I164 VanDerWaalsContact C-N 3.34Å; K162-I164 PolarHBondContact O-N 3.41Å; I164-N167 PolarHBondContact O-N 3.33Å; I164-L168 HydrophobicContact CG2-CD1 3.71Å; I164-L168 HydrophobicContact CG2-CG 4.34Å; I164-L168 WeakPolarHBondContact O-CB 3.23Å; I164-L168 WeakPolarHBondContact O-CG 3.4Å; I164-L168 PolarHBondContact O-N 3.16Å |
| 165 | H | 66.1 | Low | 54.7 | Low | 108 Ų | 108 | 102.1 Ų | 102.1 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 177.5 | 178.8 | -85.7 | 0 | 0 | 0 | 112 | L161 K162 L168 N169 | L161-H165 WeakPolarHBondContact O-CB 3.46Å; L161-H165 PolarHBondContact O-N 3.38Å; K162-H165 WeakPolarHBondContact O-CB 3.44Å; K162-H165 PolarHBondContact O-N 2.85Å; H165-L168 PolarHBondContact O-N 3.38Å; H165-N169 PolarHBondContact CE1-ND2 3.29Å; H165-N169 WeakPolarHBondContact O-CB 3.49Å; H165-N169 PolarHBondContact O-N 2.91Å |
| 166 | D | 63.6 | Low | 54.9 | Low | 74 Ų | 74 | 104.5 Ų | 104.5 | 40% | 0.396 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 178.8 | -66.6 | -14.9 | 0 | 0 | 0 | 110.7 | K162 L168 N169 I170 | K162-D166 WeakPolarHBondContact O-CB 3.42Å; K162-D166 PolarHBondContact O-N 2.91Å; D166-L168 VanDerWaalsContact C-N 3.34Å; D166-L168 PolarHBondContact O-N 3.21Å; D166-N169 PolarHBondContact O-N 3.45Å; D166-I170 WeakPolarHBondContact O-CD1 3.44Å; D166-I170 VanDerWaalsContact O-CG1 3.26Å; D166-I170 WeakPolarHBondContact O-CG1 2.99Å; D166-I170 PolarHBondContact O-N 2.91Å |
| 167 | N | 59.9 | Low | 55.2 | Low | 94 Ų | 94 | 103.5 Ų | 103.5 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 173.8 | -71.3 | -17.8 | 0 | 0 | 0 | 112.4 | Q163 I164 I170 | Q163-N167 VanDerWaalsContact O-CB 3.24Å; Q163-N167 WeakPolarHBondContact O-CB 3.19Å; Q163-N167 PolarHBondContact O-N 3.4Å; Q163-N167 PolarHBondContact O-ND2 2.72Å; I164-N167 PolarHBondContact O-N 3.33Å; N167-I170 PolarHBondContact O-N 3.16Å |
| 168 | L | 57.1 | Low | 55 | Low | 105 Ų | 105 | 106.4 Ų | 106.4 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.8 | -31.1 | 177 | -72.2 | 168.9 | 0 | 0 | 0 | 112.5 | I164 H165 D166 D171 | I164-L168 HydrophobicContact CG2-CD1 3.71Å; I164-L168 HydrophobicContact CG2-CG 4.34Å; I164-L168 WeakPolarHBondContact O-CB 3.23Å; I164-L168 WeakPolarHBondContact O-CG 3.4Å; I164-L168 PolarHBondContact O-N 3.16Å; H165-L168 PolarHBondContact O-N 3.38Å; D166-L168 VanDerWaalsContact C-N 3.34Å; D166-L168 PolarHBondContact O-N 3.21Å; L168-D171 PolarHBondContact O-N 3.43Å |
| 169 | N | 52.5 | Low | 54.6 | Low | 86 Ų | 86 | 102 Ų | 102 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -78.5 | -19.7 | 176.3 | -104.8 | -4.5 | 0 | 0 | 0 | 113.3 | H165 D166 D171 N172 | H165-N169 PolarHBondContact CE1-ND2 3.29Å; H165-N169 WeakPolarHBondContact O-CB 3.49Å; H165-N169 PolarHBondContact O-N 2.91Å; D166-N169 PolarHBondContact O-N 3.45Å; N169-D171 VanDerWaalsContact C-N 3.28Å; N169-N172 PolarHBondContact O-N 2.97Å; N169-N172 PolarHBondContact OD1-ND2 3.46Å; N169-N172 VanDerWaalsContact OD1-ND2 3.1Å |
| 170 | I | 49.9 | Very low | 54.1 | Low | 113 Ų | 113 | 100.9 Ų | 100.9 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.7 | -31.4 | 170.2 | -68.6 | 162.2 | 0 | 0 | 0 | 110.7 | D166 N167 N172 G173 | D166-I170 WeakPolarHBondContact O-CD1 3.44Å; D166-I170 VanDerWaalsContact O-CG1 3.26Å; D166-I170 WeakPolarHBondContact O-CG1 2.99Å; D166-I170 PolarHBondContact O-N 2.91Å; N167-I170 PolarHBondContact O-N 3.16Å; I170-N172 VanDerWaalsContact C-N 3.25Å; I170-N172 PolarHBondContact O-N 3.28Å; I170-G173 PolarHBondContact O-N 3.3Å |
| 171 | D | 49.2 | Very low | 53.5 | Low | 86 Ų | 86 | 104.6 Ų | 104.6 | 46% | 0.46 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.3 | -25 | 176 | -83.1 | -20.8 | 0 | 0 | 0 | 113.1 | L168 N169 G173 I174 E175 | L168-D171 PolarHBondContact O-N 3.43Å; N169-D171 VanDerWaalsContact C-N 3.28Å; D171-G173 PolarHBondContact O-N 3.16Å; D171-I174 WeakPolarHBondContact O-CB 3.35Å; D171-I174 PolarHBondContact O-N 2.69Å; D171-I174 WeakPolarHBondContact OD1-CD1 3.43Å; D171-E175 PolarHBondContact O-N 3.2Å |
| 172 | N | 45.3 | Very low | 52.8 | Low | 86 Ų | 86 | 105.2 Ų | 105.2 | 46% | 0.46 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.3 | -16.9 | 172.6 | -71.1 | -24.9 | 0 | 0 | 0 | 112.6 | N169 I170 | N169-N172 PolarHBondContact O-N 2.97Å; N169-N172 PolarHBondContact OD1-ND2 3.46Å; N169-N172 VanDerWaalsContact OD1-ND2 3.1Å; I170-N172 VanDerWaalsContact C-N 3.25Å; I170-N172 PolarHBondContact O-N 3.28Å |
| 173 | G | 45.7 | Very low | 52.1 | Low | 41 Ų | 41 | 106 Ų | 106 | 42% | 0.423 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -76.9 | -24.7 | 169 | 0 | 0 | 0 | 0 | 0 | 113.5 | I170 D171 | I170-G173 PolarHBondContact O-N 3.3Å; D171-G173 PolarHBondContact O-N 3.16Å |
| 174 | I | 49.2 | Very low | 51.6 | Low | 85 Ų | 85 | 103.9 Ų | 103.9 | 44% | 0.436 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -80.6 | -34.7 | 179.6 | -57.6 | -179.5 | 0 | 0 | 0 | 110.4 | D171 R176 K177 Q178 | D171-I174 WeakPolarHBondContact O-CB 3.35Å; D171-I174 PolarHBondContact O-N 2.69Å; D171-I174 WeakPolarHBondContact OD1-CD1 3.43Å; I174-R176 VanDerWaalsContact C-N 3.31Å; I174-R176 PolarHBondContact O-N 3.12Å; I174-K177 PolarHBondContact O-N 3.28Å; I174-Q178 HydrophobicContact CG2-CG 4.46Å; I174-Q178 PolarHBondContact O-N 3.38Å |
| 175 | E | 48 | Very low | 51.1 | Low | 130 Ų | 130 | 101.9 Ų | 101.9 | 61% | 0.607 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.4 | -37.9 | 176.2 | -74.7 | -167.9 | 164.4 | 0 | 0 | 112.6 | D171 K177 Q178 S179 | D171-E175 PolarHBondContact O-N 3.2Å; E175-K177 VanDerWaalsContact C-N 3.28Å; E175-K177 PolarHBondContact O-N 2.92Å; E175-Q178 PolarHBondContact O-N 3.21Å; E175-S179 PolarHBondContact O-N 3.22Å; E175-S179 VanDerWaalsContact O-N 3.12Å; E175-S179 PolarHBondContact O-OG 2.91Å |
| 176 | R | 47.5 | Very low | 51 | Low | 205 Ų | 205 | 102 Ų | 102 | 77% | 0.774 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.6 | -31.2 | 173.6 | -75.3 | -169.7 | -165.6 | 132.9 | 4.3 | 113.5 | I174 | I174-R176 VanDerWaalsContact C-N 3.31Å; I174-R176 PolarHBondContact O-N 3.12Å |
| 177 | K | 48 | Very low | 51 | Low | 152 Ų | 152 | 104.6 Ų | 104.6 | 66% | 0.661 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -79.1 | -30.3 | 176.8 | -72.4 | -172.2 | 176 | -175.8 | 0 | 112.6 | I174 E175 S179 S180 M181 | I174-K177 PolarHBondContact O-N 3.28Å; E175-K177 VanDerWaalsContact C-N 3.28Å; E175-K177 PolarHBondContact O-N 2.92Å; K177-S179 VanDerWaalsContact C-N 3.35Å; K177-S180 PolarHBondContact O-N 3.46Å; K177-S180 PolarHBondContact O-OG 3.14Å; K177-M181 PolarHBondContact O-N 2.87Å; K177-M181 VanDerWaalsContact O-N 3.08Å |
| 178 | Q | 48 | Very low | 51.4 | Low | 117 Ų | 117 | 105.7 Ų | 105.7 | 55% | 0.547 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.7 | -34.4 | 173.8 | -69.1 | -161.2 | -9 | 0 | 0 | 111.9 | I174 E175 S180 M181 L182 | I174-Q178 HydrophobicContact CG2-CG 4.46Å; I174-Q178 PolarHBondContact O-N 3.38Å; E175-Q178 PolarHBondContact O-N 3.21Å; Q178-S180 VanDerWaalsContact C-N 3.32Å; Q178-S180 PolarHBondContact O-N 3.49Å; Q178-M181 PolarHBondContact O-N 3.5Å; Q178-L182 WeakPolarHBondContact O-CG 3.42Å; Q178-L182 PolarHBondContact O-N 3.12Å |
| 179 | S | 45.8 | Very low | 51.9 | Low | 61 Ų | 61 | 105.2 Ų | 105.2 | 43% | 0.427 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -57.8 | -45.4 | 171.2 | -40.8 | 0 | 0 | 0 | 0 | 111.2 | E175 K177 L182 H183 | E175-S179 PolarHBondContact O-N 3.22Å; E175-S179 VanDerWaalsContact O-N 3.12Å; E175-S179 PolarHBondContact O-OG 2.91Å; K177-S179 VanDerWaalsContact C-N 3.35Å; S179-L182 PolarHBondContact O-N 3.48Å; S179-H183 PolarHBondContact O-N 3.38Å; S179-H183 PolarHBondContact O-ND1 2.97Å |
| 180 | S | 47.4 | Very low | 52.6 | Low | 73 Ų | 73 | 104.8 Ų | 104.8 | 51% | 0.51 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68 | -36.2 | 178.8 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | K177 Q178 S184 | K177-S180 PolarHBondContact O-N 3.46Å; K177-S180 PolarHBondContact O-OG 3.14Å; Q178-S180 VanDerWaalsContact C-N 3.32Å; Q178-S180 PolarHBondContact O-N 3.49Å; S180-S184 WeakPolarHBondContact O-CB 3.47Å; S180-S184 PolarHBondContact O-N 3.33Å |
| 181 | M | 44.4 | Very low | 53.6 | Low | 143 Ų | 143 | 102.5 Ų | 102.5 | 70% | 0.704 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.6 | -42.6 | 175.8 | -90.3 | -172.3 | 78.5 | 0 | 0 | 112 | K177 Q178 H183 S184 S185 | K177-M181 PolarHBondContact O-N 2.87Å; K177-M181 VanDerWaalsContact O-N 3.08Å; Q178-M181 PolarHBondContact O-N 3.5Å; M181-H183 VanDerWaalsContact C-N 3.35Å; M181-H183 PolarHBondContact O-N 3.38Å; M181-S184 PolarHBondContact O-N 2.97Å; M181-S185 PolarHBondContact O-N 3.47Å; M181-S185 PolarHBondContact O-OG 3.31Å; M181-S185 VanDerWaalsContact O-OG 3.12Å |
| 182 | L | 47.7 | Very low | 54.8 | Low | 117 Ų | 117 | 101.9 Ų | 101.9 | 61% | 0.613 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.5 | -41.9 | 178.8 | -75.6 | 168.3 | 0 | 0 | 0 | 111.9 | Q178 S179 S185 Q186 | Q178-L182 WeakPolarHBondContact O-CG 3.42Å; Q178-L182 PolarHBondContact O-N 3.12Å; S179-L182 PolarHBondContact O-N 3.48Å; L182-S185 WeakPolarHBondContact CA-OG 3.5Å; L182-S185 PolarHBondContact O-N 2.77Å; L182-S185 PolarHBondContact O-OG 3.31Å; L182-Q186 WeakPolarHBondContact O-CB 3.34Å; L182-Q186 PolarHBondContact O-N 2.9Å |
| 183 | H | 50 | Low | 56 | Low | 130 Ų | 130 | 101.8 Ų | 101.8 | 60% | 0.602 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65 | -40.9 | 175.3 | -73.6 | 77 | 0 | 0 | 0 | 111.6 | S179 M181 Q186 H187 | S179-H183 PolarHBondContact O-N 3.38Å; S179-H183 PolarHBondContact O-ND1 2.97Å; M181-H183 VanDerWaalsContact C-N 3.35Å; M181-H183 PolarHBondContact O-N 3.38Å; H183-Q186 PolarHBondContact O-N 3.24Å; H183-H187 PolarHBondContact O-CD2 3.02Å; H183-H187 PolarHBondContact O-N 3.15Å |
| 184 | S | 53.7 | Low | 57.1 | Low | 82 Ų | 82 | 106 Ų | 106 | 57% | 0.573 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64 | -42.1 | 176.8 | 179.6 | 0 | 0 | 0 | 0 | 112.4 | S180 M181 Q186 H187 L188 | S180-S184 WeakPolarHBondContact O-CB 3.47Å; S180-S184 PolarHBondContact O-N 3.33Å; M181-S184 PolarHBondContact O-N 2.97Å; S184-Q186 VanDerWaalsContact C-N 3.35Å; S184-Q186 PolarHBondContact O-N 2.92Å; S184-H187 PolarHBondContact O-N 3.13Å; S184-L188 PolarHBondContact O-N 3.46Å |
| 185 | S | 54.1 | Low | 58.2 | Low | 51 Ų | 51 | 106.9 Ų | 106.9 | 36% | 0.357 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 175.5 | 50.2 | 0 | 0 | 0 | 0 | 112.6 | M181 L182 L188 L189 | M181-S185 PolarHBondContact O-N 3.47Å; M181-S185 PolarHBondContact O-OG 3.31Å; M181-S185 VanDerWaalsContact O-OG 3.12Å; L182-S185 WeakPolarHBondContact CA-OG 3.5Å; L182-S185 PolarHBondContact O-N 2.77Å; L182-S185 PolarHBondContact O-OG 3.31Å; S185-L188 PolarHBondContact O-N 2.95Å; S185-L189 PolarHBondContact O-N 3.46Å |
| 186 | Q | 63 | Low | 59.2 | Low | 111 Ų | 111 | 105.5 Ų | 105.5 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 178.4 | -162 | 68 | 35.3 | 0 | 0 | 111.4 | L182 H183 S184 L189 N190 | L182-Q186 WeakPolarHBondContact O-CB 3.34Å; L182-Q186 PolarHBondContact O-N 2.9Å; H183-Q186 PolarHBondContact O-N 3.24Å; S184-Q186 VanDerWaalsContact C-N 3.35Å; S184-Q186 PolarHBondContact O-N 2.92Å; Q186-L189 PolarHBondContact O-N 3.26Å; Q186-N190 VanDerWaalsContact O-CG 3.31Å; Q186-N190 PolarHBondContact O-N 3.01Å |
| 187 | H | 64.7 | Low | 60 | Low | 129 Ų | 129 | 99.9 Ų | 99.9 | 60% | 0.597 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.3 | -44.4 | 173.5 | -89.1 | -73.3 | 0 | 0 | 0 | 112 | H183 S184 L189 N190 T191 | H183-H187 PolarHBondContact O-CD2 3.02Å; H183-H187 PolarHBondContact O-N 3.15Å; S184-H187 PolarHBondContact O-N 3.13Å; H187-L189 PolarHBondContact O-N 3.45Å; H187-N190 PolarHBondContact O-N 3.46Å; H187-T191 PolarHBondContact O-N 3.31Å; H187-T191 PolarHBondContact O-OG1 3.41Å; H187-T191 VanDerWaalsContact O-OG1 3.05Å |
| 188 | L | 67.9 | Low | 60.9 | Low | 117 Ų | 117 | 100.8 Ų | 100.8 | 61% | 0.613 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.1 | -44 | 178.3 | -173.6 | 67.3 | 0 | 0 | 0 | 112 | S184 S185 N190 T191 V192 | S184-L188 PolarHBondContact O-N 3.46Å; S185-L188 PolarHBondContact O-N 2.95Å; L188-N190 PolarHBondContact O-N 3.41Å; L188-T191 PolarHBondContact O-N 3.5Å; L188-V192 WeakPolarHBondContact O-CG2 2.89Å; L188-V192 PolarHBondContact O-N 3.13Å |
| 189 | L | 68 | Low | 61.5 | Low | 94 Ų | 94 | 100.5 Ų | 100.5 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 175 | -93.3 | 150.2 | 0 | 0 | 0 | 111.9 | S185 Q186 H187 T191 V192 N193 | S185-L189 PolarHBondContact O-N 3.46Å; Q186-L189 PolarHBondContact O-N 3.26Å; H187-L189 PolarHBondContact O-N 3.45Å; L189-T191 PolarHBondContact O-N 3.04Å; L189-V192 PolarHBondContact O-N 3.01Å; L189-N193 PolarHBondContact O-N 2.77Å |
| 190 | N | 66.5 | Low | 62.1 | Low | 77 Ų | 77 | 104 Ų | 104 | 41% | 0.412 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 177.8 | -71.9 | -8.3 | 0 | 0 | 0 | 111.7 | Q186 H187 L188 N193 Q194 | Q186-N190 VanDerWaalsContact O-CG 3.31Å; Q186-N190 PolarHBondContact O-N 3.01Å; H187-N190 PolarHBondContact O-N 3.46Å; L188-N190 PolarHBondContact O-N 3.41Å; N190-N193 PolarHBondContact O-N 2.9Å; N190-Q194 WeakPolarHBondContact O-CG 3.41Å; N190-Q194 PolarHBondContact O-N 3.35Å |
| 191 | T | 72.1 | Confident | 62.7 | Low | 66 Ų | 66 | 107 Ų | 107 | 41% | 0.405 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 177 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | H187 L188 L189 Q194 N195 | H187-T191 PolarHBondContact O-N 3.31Å; H187-T191 PolarHBondContact O-OG1 3.41Å; H187-T191 VanDerWaalsContact O-OG1 3.05Å; L188-T191 PolarHBondContact O-N 3.5Å; L189-T191 PolarHBondContact O-N 3.04Å; T191-Q194 PolarHBondContact O-N 3.2Å; T191-N195 PolarHBondContact O-N 3.16Å; T191-N195 PolarHBondContact O-ND2 2.65Å |
| 192 | V | 73.5 | Confident | 63.3 | Low | 73 Ų | 73 | 103.5 Ų | 103.5 | 44% | 0.442 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 177 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | L188 L189 Q194 N195 L196 | L188-V192 WeakPolarHBondContact O-CG2 2.89Å; L188-V192 PolarHBondContact O-N 3.13Å; L189-V192 PolarHBondContact O-N 3.01Å; V192-Q194 PolarHBondContact O-N 3.43Å; V192-N195 PolarHBondContact O-N 3.5Å; V192-L196 HydrophobicContact CG1-CD1 3.88Å; V192-L196 PolarHBondContact O-N 3.45Å |
| 193 | N | 70.3 | Confident | 63.4 | Low | 83 Ų | 83 | 103.2 Ų | 103.2 | 44% | 0.444 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 177.4 | -75.9 | -19.1 | 0 | 0 | 0 | 112.7 | L189 N190 L196 N197 | L189-N193 PolarHBondContact O-N 2.77Å; N190-N193 PolarHBondContact O-N 2.9Å; N193-L196 PolarHBondContact O-N 3.19Å; N193-N197 PolarHBondContact O-N 3.27Å |
| 194 | Q | 70.1 | Confident | 63.2 | Low | 130 Ų | 130 | 110.4 Ų | 110.4 | 61% | 0.607 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62 | -43.9 | 175 | -75.8 | 173.8 | -13.6 | 0 | 0 | 111.9 | N190 T191 V192 N197 Y198 | N190-Q194 WeakPolarHBondContact O-CG 3.41Å; N190-Q194 PolarHBondContact O-N 3.35Å; T191-Q194 PolarHBondContact O-N 3.2Å; V192-Q194 PolarHBondContact O-N 3.43Å; Q194-N197 PolarHBondContact O-N 3.34Å; Q194-Y198 PolarHBondContact O-N 3.44Å |
| 195 | N | 72.7 | Confident | 63.7 | Low | 103 Ų | 103 | 111.8 Ų | 111.8 | 55% | 0.551 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.7 | -38.1 | 177.7 | -72.9 | -32.1 | 0 | 0 | 0 | 112.3 | T191 V192 Y198 L199 | T191-N195 PolarHBondContact O-N 3.16Å; T191-N195 PolarHBondContact O-ND2 2.65Å; V192-N195 PolarHBondContact O-N 3.5Å; N195-Y198 PolarHBondContact O-N 3.21Å; N195-L199 WeakPolarHBondContact O-CB 3.44Å; N195-L199 PolarHBondContact O-N 2.91Å |
| 196 | L | 68.4 | Low | 64.2 | Low | 102 Ų | 102 | 115 Ų | 115 | 53% | 0.534 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.7 | -46.2 | 173.7 | -92.6 | 150.8 | 0 | 0 | 0 | 111.8 | V192 N193 Y198 L199 Q200 | V192-L196 HydrophobicContact CG1-CD1 3.88Å; V192-L196 PolarHBondContact O-N 3.45Å; N193-L196 PolarHBondContact O-N 3.19Å; L196-Y198 VanDerWaalsContact C-N 3.34Å; L196-Y198 PolarHBondContact O-N 3.43Å; L196-L199 PolarHBondContact O-N 3.29Å; L196-Q200 WeakPolarHBondContact O-CB 3.4Å; L196-Q200 PolarHBondContact O-N 3.1Å |
| 197 | N | 63.5 | Low | 64.2 | Low | 87 Ų | 87 | 115.2 Ų | 115.2 | 47% | 0.465 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.9 | -41.8 | 175.9 | -77.1 | -18.1 | 0 | 0 | 0 | 111.8 | N193 Q194 L199 Q200 H201 | N193-N197 PolarHBondContact O-N 3.27Å; Q194-N197 PolarHBondContact O-N 3.34Å; N197-L199 VanDerWaalsContact C-N 3.33Å; N197-L199 PolarHBondContact O-N 3.46Å; N197-Q200 PolarHBondContact O-N 3.39Å; N197-H201 PolarHBondContact O-CD2 3.13Å; N197-H201 VanDerWaalsContact O-CD2 3.29Å; N197-H201 PolarHBondContact O-N 3.21Å |
| 198 | Y | 66.5 | Low | 64.2 | Low | 170 Ų | 170 | 114.4 Ų | 114.4 | 67% | 0.667 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.3 | -40.8 | 176.5 | -168.4 | -92.9 | 0 | 0 | 0 | 112.1 | Q194 N195 L196 H201 S202 | Q194-Y198 PolarHBondContact O-N 3.44Å; N195-Y198 PolarHBondContact O-N 3.21Å; L196-Y198 VanDerWaalsContact C-N 3.34Å; L196-Y198 PolarHBondContact O-N 3.43Å; Y198-H201 PolarHBondContact O-N 3.05Å; Y198-S202 WeakPolarHBondContact CE1-OG 3.48Å; Y198-S202 WeakPolarHBondContact O-CB 3.33Å; Y198-S202 PolarHBondContact O-N 3.31Å; Y198-S202 PolarHBondContact O-OG 3.04Å |
| 199 | L | 61.8 | Low | 64 | Low | 112 Ų | 112 | 114.3 Ų | 114.3 | 59% | 0.586 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.9 | -41.6 | 177.2 | -147.6 | 79.7 | 0 | 0 | 0 | 111.4 | N195 L196 N197 H201 S202 C203 | N195-L199 WeakPolarHBondContact O-CB 3.44Å; N195-L199 PolarHBondContact O-N 2.91Å; L196-L199 PolarHBondContact O-N 3.29Å; N197-L199 VanDerWaalsContact C-N 3.33Å; N197-L199 PolarHBondContact O-N 3.46Å; L199-H201 VanDerWaalsContact C-N 3.3Å; L199-H201 PolarHBondContact O-N 3.43Å; L199-S202 PolarHBondContact O-N 3.09Å; L199-C203 WeakPolarHBondContact O-CB 3.46Å; L199-C203 PolarHBondContact O-N 3.41Å |
| 200 | Q | 57.8 | Low | 63.7 | Low | 133 Ų | 133 | 115.6 Ų | 115.6 | 62% | 0.621 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64 | -35 | 177.9 | -169.9 | 176 | -6 | 0 | 0 | 112.2 | L196 N197 | L196-Q200 WeakPolarHBondContact O-CB 3.4Å; L196-Q200 PolarHBondContact O-N 3.1Å; N197-Q200 PolarHBondContact O-N 3.39Å |
| 201 | H | 60.8 | Low | 63.5 | Low | 138 Ų | 138 | 118.4 Ų | 118.4 | 64% | 0.639 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -83.1 | -20.5 | 175.2 | -65.1 | -34.3 | 0 | 0 | 0 | 114 | N197 Y198 L199 | N197-H201 PolarHBondContact O-CD2 3.13Å; N197-H201 VanDerWaalsContact O-CD2 3.29Å; N197-H201 PolarHBondContact O-N 3.21Å; Y198-H201 PolarHBondContact O-N 3.05Å; L199-H201 VanDerWaalsContact C-N 3.3Å; L199-H201 PolarHBondContact O-N 3.43Å |
| 202 | S | 55.7 | Low | 62.9 | Low | 69 Ų | 69 | 122.4 Ų | 122.4 | 48% | 0.483 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -84.7 | -18 | 174.7 | -62.7 | 0 | 0 | 0 | 0 | 113.5 | Y198 L199 | Y198-S202 WeakPolarHBondContact CE1-OG 3.48Å; Y198-S202 WeakPolarHBondContact O-CB 3.33Å; Y198-S202 PolarHBondContact O-N 3.31Å; Y198-S202 PolarHBondContact O-OG 3.04Å; L199-S202 PolarHBondContact O-N 3.09Å |
| 203 | C | 49.4 | Very low | 62 | Low | 111 Ų | 111 | 126.5 Ų | 126.5 | 75% | 0.75 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 15.8 | 177.7 | -71.4 | 0 | 0 | 0 | 0 | 113.8 | L199 | L199-C203 WeakPolarHBondContact O-CB 3.46Å; L199-C203 PolarHBondContact O-N 3.41Å |
| 204 | R | 46.9 | Very low | 61.2 | Low | 280 Ų | 280 | 130.5 Ų | 130.5 | 100% | 1.057 | 63% | 0.633 | S | S | * | * | trans | -116.5 | 0 | 174.1 | -150.2 | 179.6 | -171.2 | 179.6 | 1.8 | 109.8 |
Retrieved 204 of 204 residues in 38 ms
(Link to these results)