| 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 | 54.7 | Low | 60.4 | Low | 230 Ų | 230 | 177.8 Ų | 177.8 | 100% | 1.133 | 88% | 0.876 | S | S | * | * | 0 | 127.7 | 0 | -64.3 | 173.4 | 81 | 0 | 0 | 109.3 | K3 | M1-K3 PolarHBondContact O-N 3.3Š| |||
| 2 | P | 54 | Low | 61.7 | Low | 131 Ų | 131 | 173.1 Ų | 173.1 | 85% | 0.851 | 87% | 0.865 | S | S | * | * | trans | -72.3 | 129.9 | 179.3 | 29.6 | -31 | 0 | 0 | 0 | 109.9 | A4 | P2-A4 PolarHBondContact O-N 3.15Š| ||
| 3 | K | 56.4 | Low | 62.9 | Low | 203 Ų | 203 | 167.6 Ų | 167.6 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | trans | -65.7 | 124.2 | 178.2 | -67 | -172.1 | 179.4 | -179.7 | 0 | 109.5 | M1 K5 | M1-K3 PolarHBondContact O-N 3.3Å; K3-K5 PolarHBondContact O-N 3.39Å; K3-K5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | A | 62 | Low | 64.3 | Low | 99 Ų | 99 | 159.8 Ų | 159.8 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -58.2 | 113.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | P2 K6 | P2-A4 PolarHBondContact O-N 3.15Å; A4-K6 PolarHBondContact O-N 3.1Å; A4-K6 VanDerWaalsContact O-N 3.11Å | ||
| 5 | K | 61.4 | Low | 65.7 | Low | 203 Ų | 203 | 162.9 Ų | 162.9 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -62.5 | 112.2 | 172.6 | -78 | -177.2 | 176.8 | 177.7 | 0 | 108.3 | K3 K7 | K3-K5 PolarHBondContact O-N 3.39Å; K3-K5 VanDerWaalsContact O-N 3.08Å; K5-K7 PolarHBondContact O-N 3.22Å | ||
| 6 | K | 62.7 | Low | 67 | Low | 204 Ų | 204 | 158.9 Ų | 158.9 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | -56.7 | 109.7 | 169.4 | -74.8 | -178.8 | 178 | 177.9 | 0 | 107.7 | A4 S8 | A4-K6 PolarHBondContact O-N 3.1Å; A4-K6 VanDerWaalsContact O-N 3.11Å; K6-S8 PolarHBondContact O-N 3.39Å | ||
| 7 | K | 60.6 | Low | 68.1 | Low | 198 Ų | 198 | 156.2 Ų | 156.2 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -57 | 110.5 | 171.5 | -87.9 | -177.8 | 175.6 | 177.7 | 0 | 107.4 | K5 K9 | K5-K7 PolarHBondContact O-N 3.22Å; K7-K9 VanDerWaalsContact C-N 3.34Å; K7-K9 PolarHBondContact O-N 2.98Å | ||
| 8 | S | 61.8 | Low | 69.3 | Low | 111 Ų | 111 | 152.8 Ų | 152.8 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -60.3 | 101.9 | 163.6 | 175.7 | 0 | 0 | 0 | 0 | 106.3 | K6 R10 | K6-S8 PolarHBondContact O-N 3.39Å; S8-R10 PolarHBondContact O-N 3Å | ||
| 9 | K | 62.6 | Low | 70.2 | Confident | 186 Ų | 186 | 151.9 Ų | 151.9 | 81% | 0.809 | 75% | 0.745 | S | S | * | * | trans | -63.3 | 108 | 171.6 | -76.9 | -176.8 | 177 | -179.9 | 0 | 105.7 | K7 N11 | K7-K9 VanDerWaalsContact C-N 3.34Å; K7-K9 PolarHBondContact O-N 2.98Å; K9-N11 PolarHBondContact O-N 3.37Å | ||
| 10 | R | 62.3 | Low | 71.2 | Confident | 226 Ų | 226 | 152.5 Ų | 152.5 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | trans | -52.3 | 126.2 | 164.5 | -79.1 | -179.3 | 176.9 | 166.8 | -1.7 | 106.3 | S8 T12 | S8-R10 PolarHBondContact O-N 3Å; R10-T12 PolarHBondContact O-N 3.04Å | ||
| 11 | N | 66.3 | Low | 72.2 | Confident | 165 Ų | 165 | 151.4 Ų | 151.4 | 88% | 0.882 | 74% | 0.735 | S | S | * | * | trans | -67.1 | 79.8 | 177.9 | -71.7 | -35.8 | 0 | 0 | 0 | 109 | K9 F13 | K9-N11 PolarHBondContact O-N 3.37Å; N11-F13 PolarHBondContact O-N 3.12Å | ||
| 12 | T | 76.2 | Confident | 73.9 | Confident | 121 Ų | 121 | 144.3 Ų | 144.3 | 74% | 0.742 | 70% | 0.701 | S | S | * | * | trans | -68.9 | 123.6 | 173.2 | -51 | 0 | 0 | 0 | 0 | 108.1 | R10 D14 | R10-T12 PolarHBondContact O-N 3.04Å; T12-D14 PolarHBondContact O-N 2.94Å | ||
| 13 | F | 77.1 | Confident | 75.7 | Confident | 102 Ų | 102 | 144.5 Ų | 144.5 | 45% | 0.447 | 69% | 0.688 | S | S | . | * | trans | -74.8 | 114.2 | 177.3 | -174.5 | -92.7 | 0 | 0 | 0 | 109.3 | N11 Y15 R19 | N11-F13 PolarHBondContact O-N 3.12Å; F13-Y15 AromaticContact CD1-CD1 3.71Å; F13-Y15 HydrophobicContact CD1-CD1 3.71Å; F13-Y15 HydrophobicContact CD1-CD2 4.4Å; F13-Y15 AromaticContact CD1-CE1 3.7Å; F13-Y15 HydrophobicContact CD1-CE1 3.7Å; F13-Y15 HydrophobicContact CD1-CE2 4.4Å; F13-Y15 HydrophobicContact CD1-CG 4.07Å; F13-Y15 AromaticContact CE1-CD1 3.73Å; F13-Y15 HydrophobicContact CE1-CD1 3.73Å; F13-Y15 AromaticContact CE1-CE1 3.98Å; F13-Y15 HydrophobicContact CE1-CE1 3.98Å; F13-Y15 HydrophobicContact CE1-CG 4.32Å; F13-Y15 PolarHBondContact O-N 3.32Å; F13-R19 HydrophobicContact CE2-CG 4.44Å; F13-R19 VanDerWaalsContact CE2-NE 3.29Å | ||
| 14 | D | 81.8 | Confident | 77.3 | Confident | 58 Ų | 58 | 141.9 Ų | 141.9 | 31% | 0.31 | 68% | 0.677 | S | S | . | * | trans | -79.8 | 107 | 175.3 | -175.2 | -6.8 | 0 | 0 | 0 | 110 | T12 S16 K17 | T12-D14 PolarHBondContact O-N 2.94Å; D14-S16 PolarHBondContact O-N 3.46Å; D14-S16 WeakPolarHBondContact OD1-CB 3.41Å; D14-S16 PolarHBondContact OD1-N 3.4Å; D14-S16 VanDerWaalsContact OD1-N 3.1Å; D14-S16 PolarHBondContact OD1-OG 3.13Å; D14-S16 PolarHBondContact OD2-OG 3.09Å; D14-K17 HydrophobicContact CB-CD 4.48Å; D14-K17 PolarHBondContact O-N 2.88Å; D14-K17 VanDerWaalsContact OD2-CD 3.26Å; D14-K17 WeakPolarHBondContact OD2-CD 3.23Å; D14-K17 WeakPolarHBondContact OD2-CE 3.48Å; D14-K17 IonicContact OD2-NZ 3.5Å; D14-K17 PolarHBondContact OD2-NZ 3.09Å | ||
| 15 | Y | 85.1 | Confident | 78.6 | Confident | 206 Ų | 206 | 141.9 Ų | 141.9 | 81% | 0.808 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -16.8 | -178.8 | -65.8 | -82.1 | 0 | 0 | 0 | 113.5 | F13 K17 | F13-Y15 AromaticContact CD1-CD1 3.71Å; F13-Y15 HydrophobicContact CD1-CD1 3.71Å; F13-Y15 HydrophobicContact CD1-CD2 4.4Å; F13-Y15 AromaticContact CD1-CE1 3.7Å; F13-Y15 HydrophobicContact CD1-CE1 3.7Å; F13-Y15 HydrophobicContact CD1-CE2 4.4Å; F13-Y15 HydrophobicContact CD1-CG 4.07Å; F13-Y15 AromaticContact CE1-CD1 3.73Å; F13-Y15 HydrophobicContact CE1-CD1 3.73Å; F13-Y15 AromaticContact CE1-CE1 3.98Å; F13-Y15 HydrophobicContact CE1-CE1 3.98Å; F13-Y15 HydrophobicContact CE1-CG 4.32Å; F13-Y15 PolarHBondContact O-N 3.32Å; Y15-K17 PolarHBondContact O-N 3.4Å |
| 16 | S | 87.4 | Confident | 79.9 | Confident | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -14.3 | 178.1 | 72.8 | 0 | 0 | 0 | 0 | 113.3 | D14 | D14-S16 PolarHBondContact O-N 3.46Å; D14-S16 WeakPolarHBondContact OD1-CB 3.41Å; D14-S16 PolarHBondContact OD1-N 3.4Å; D14-S16 VanDerWaalsContact OD1-N 3.1Å; D14-S16 PolarHBondContact OD1-OG 3.13Å; D14-S16 PolarHBondContact OD2-OG 3.09Å |
| 17 | K | 85.8 | Confident | 81 | Confident | 112 Ų | 112 | 134.1 Ų | 134.1 | 49% | 0.487 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -111.1 | 118 | -173.6 | -68.9 | 177.7 | -173.4 | 153.8 | 0 | 111.8 | D14 Y15 R19 L22 | D14-K17 HydrophobicContact CB-CD 4.48Å; D14-K17 PolarHBondContact O-N 2.88Å; D14-K17 VanDerWaalsContact OD2-CD 3.26Å; D14-K17 WeakPolarHBondContact OD2-CD 3.23Å; D14-K17 WeakPolarHBondContact OD2-CE 3.48Å; D14-K17 IonicContact OD2-NZ 3.5Å; D14-K17 PolarHBondContact OD2-NZ 3.09Å; Y15-K17 PolarHBondContact O-N 3.4Å; K17-R19 PolarHBondContact O-N 2.95Å; K17-L22 HydrophobicContact CB-CD1 4.04Å; K17-L22 HydrophobicContact CD-CD1 4.27Å; K17-L22 HydrophobicContact CG-CD1 4.39Å |
| 18 | D | 89.6 | Confident | 82.2 | Confident | 96 Ų | 96 | 132.9 Ų | 132.9 | 51% | 0.513 | 62% | 0.621 | S | S | . | * | trans | -74 | 98.5 | 165.9 | -177.2 | -0.2 | 0 | 0 | 0 | 110.7 | K20 K21 L22 | D18-K20 PolarHBondContact O-N 2.95Å; D18-K20 WeakPolarHBondContact OD1-CB 3.36Å; D18-K20 PolarHBondContact OD1-N 3.31Å; D18-K21 HydrophobicContact CB-CB 4.04Å; D18-K21 PolarHBondContact O-N 3.1Å; D18-K21 PolarHBondContact OD1-N 2.93Å; D18-L22 PolarHBondContact O-N 3.03Å | ||
| 19 | R | 86.4 | Confident | 83.4 | Confident | 135 Ų | 135 | 138.3 Ų | 138.3 | 51% | 0.509 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -60.5 | -28.9 | 178 | -63.8 | -172.3 | -177.6 | -108.6 | 0.5 | 113 | F13 K17 K23 | F13-R19 HydrophobicContact CE2-CG 4.44Å; F13-R19 VanDerWaalsContact CE2-NE 3.29Å; K17-R19 PolarHBondContact O-N 2.95Å; R19-K23 VanDerWaalsContact O-CB 3.26Å; R19-K23 WeakPolarHBondContact O-CB 3.47Å; R19-K23 PolarHBondContact O-N 3.04Å |
| 20 | K | 89.9 | Confident | 84.5 | Confident | 164 Ų | 164 | 134.9 Ų | 134.9 | 71% | 0.713 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.8 | -43.6 | 177.3 | -66.4 | 179.1 | 179.5 | 174.1 | 0 | 110 | D18 K23 K24 | D18-K20 PolarHBondContact O-N 2.95Å; D18-K20 WeakPolarHBondContact OD1-CB 3.36Å; D18-K20 PolarHBondContact OD1-N 3.31Å; K20-K23 PolarHBondContact O-N 3.14Å; K20-K24 WeakPolarHBondContact O-CG 3.39Å; K20-K24 PolarHBondContact O-N 3.19Å |
| 21 | K | 92.1 | Very high | 85.6 | Confident | 130 Ų | 130 | 126.7 Ų | 126.7 | 57% | 0.565 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.3 | -46 | 175.6 | -170.2 | 176 | -178.6 | 179.1 | 0 | 111.6 | D18 K23 K24 Q25 | D18-K21 HydrophobicContact CB-CB 4.04Å; D18-K21 PolarHBondContact O-N 3.1Å; D18-K21 PolarHBondContact OD1-N 2.93Å; K21-K23 PolarHBondContact O-N 2.73Å; K21-K24 WeakPolarHBondContact O-CB 3.48Å; K21-K24 PolarHBondContact O-N 3.11Å; K21-Q25 WeakPolarHBondContact O-CG 3.4Å; K21-Q25 PolarHBondContact O-N 2.91Å |
| 22 | L | 91.3 | Very high | 86.7 | Confident | 81 Ų | 81 | 121.7 Ų | 121.7 | 42% | 0.424 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.9 | -43 | 176.5 | -69.6 | 176.6 | 0 | 0 | 0 | 112.2 | K17 D18 K24 Q25 F26 | K17-L22 HydrophobicContact CB-CD1 4.04Å; K17-L22 HydrophobicContact CD-CD1 4.27Å; K17-L22 HydrophobicContact CG-CD1 4.39Å; D18-L22 PolarHBondContact O-N 3.03Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.22Å; L22-Q25 PolarHBondContact O-N 3.02Å; L22-F26 WeakPolarHBondContact O-CB 3.08Å; L22-F26 PolarHBondContact O-N 3.03Å |
| 23 | K | 89.9 | Confident | 87.4 | Confident | 134 Ų | 134 | 127 Ų | 127 | 58% | 0.583 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.1 | -39.9 | 175.1 | -175.3 | 175.3 | -176.9 | 175.1 | 0 | 112.1 | R19 K20 K21 K27 | R19-K23 VanDerWaalsContact O-CB 3.26Å; R19-K23 WeakPolarHBondContact O-CB 3.47Å; R19-K23 PolarHBondContact O-N 3.04Å; K20-K23 PolarHBondContact O-N 3.14Å; K21-K23 PolarHBondContact O-N 2.73Å; K23-K27 WeakPolarHBondContact O-CB 3.47Å; K23-K27 VanDerWaalsContact O-CG 3.28Å; K23-K27 WeakPolarHBondContact O-CG 2.87Å; K23-K27 PolarHBondContact O-N 3.17Å |
| 24 | K | 90.1 | Very high | 88.2 | Confident | 149 Ų | 149 | 123.6 Ų | 123.6 | 65% | 0.648 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64 | -44.7 | 174.8 | -73.1 | 176.8 | -179.3 | -177.6 | 0 | 111.4 | K20 K21 L22 K27 K28 | K20-K24 WeakPolarHBondContact O-CG 3.39Å; K20-K24 PolarHBondContact O-N 3.19Å; K21-K24 WeakPolarHBondContact O-CB 3.48Å; K21-K24 PolarHBondContact O-N 3.11Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.22Å; K24-K27 PolarHBondContact O-N 3.24Å; K24-K28 WeakPolarHBondContact O-CG 3.42Å; K24-K28 PolarHBondContact O-N 3.2Å |
| 25 | Q | 90.8 | Very high | 88.9 | Confident | 99 Ų | 99 | 128.8 Ų | 128.8 | 46% | 0.463 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.8 | -44.8 | 177.2 | -71 | 177 | 2.6 | 0 | 0 | 111.9 | K21 L22 K28 R29 | K21-Q25 WeakPolarHBondContact O-CG 3.4Å; K21-Q25 PolarHBondContact O-N 2.91Å; L22-Q25 PolarHBondContact O-N 3.02Å; Q25-K28 PolarHBondContact O-N 3.34Å; Q25-R29 WeakPolarHBondContact O-CG 3.35Å; Q25-R29 PolarHBondContact O-N 3.35Å |
| 26 | F | 88 | Confident | 89.3 | Confident | 121 Ų | 121 | 120.6 Ų | 120.6 | 53% | 0.531 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.6 | -48.2 | 177.3 | -171 | -104.6 | 0 | 0 | 0 | 111.4 | L22 K28 R29 E30 | L22-F26 WeakPolarHBondContact O-CB 3.08Å; L22-F26 PolarHBondContact O-N 3.03Å; F26-K28 VanDerWaalsContact C-N 3.32Å; F26-K28 PolarHBondContact O-N 3.06Å; F26-R29 WeakPolarHBondContact O-CB 3.46Å; F26-R29 PolarHBondContact O-N 3Å; F26-R29 VanDerWaalsContact O-N 3.08Å; F26-E30 HydrophobicContact CD1-CG 4.16Å; F26-E30 WeakPolarHBondContact CD1-OE2 3.49Å; F26-E30 HydrophobicContact CE1-CG 3.92Å; F26-E30 WeakPolarHBondContact CE1-OE1 3.42Å; F26-E30 WeakPolarHBondContact CE1-OE2 3.4Å; F26-E30 HydrophobicContact CE2-CG 4.44Å; F26-E30 VanDerWaalsContact CZ-CD 3.42Å; F26-E30 HydrophobicContact CZ-CG 4.04Å; F26-E30 WeakPolarHBondContact CZ-OE1 3.49Å; F26-E30 WeakPolarHBondContact O-CG 3.43Å; F26-E30 PolarHBondContact O-N 3.14Å |
| 27 | K | 86.4 | Confident | 89.7 | Confident | 122 Ų | 122 | 119.4 Ų | 119.4 | 53% | 0.53 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59 | -39.8 | 174.7 | -76.3 | -176.9 | 171.2 | -157.5 | 0 | 113.5 | K23 K24 R29 E30 A31 | K23-K27 WeakPolarHBondContact O-CB 3.47Å; K23-K27 VanDerWaalsContact O-CG 3.28Å; K23-K27 WeakPolarHBondContact O-CG 2.87Å; K23-K27 PolarHBondContact O-N 3.17Å; K24-K27 PolarHBondContact O-N 3.24Å; K27-R29 VanDerWaalsContact C-N 3.32Å; K27-E30 PolarHBondContact O-N 3.18Å; K27-A31 WeakPolarHBondContact O-CB 3.37Å; K27-A31 PolarHBondContact O-N 2.93Å; K27-A31 VanDerWaalsContact O-N 3.07Å |
| 28 | K | 86.2 | Confident | 90.1 | Very high | 172 Ų | 172 | 115.2 Ų | 115.2 | 75% | 0.748 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.3 | -37 | 175.8 | -76.1 | -176.7 | 177.5 | -165.1 | 0 | 111.9 | K24 Q25 F26 | K24-K28 WeakPolarHBondContact O-CG 3.42Å; K24-K28 PolarHBondContact O-N 3.2Å; Q25-K28 PolarHBondContact O-N 3.34Å; F26-K28 VanDerWaalsContact C-N 3.32Å; F26-K28 PolarHBondContact O-N 3.06Å |
| 29 | R | 86.9 | Confident | 90.4 | Very high | 225 Ų | 225 | 112.1 Ų | 112.1 | 85% | 0.849 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72 | -36.1 | 176.8 | -76.4 | -176.8 | 143.8 | -166.6 | -7.1 | 113.1 | Q25 F26 K27 A31 | Q25-R29 WeakPolarHBondContact O-CG 3.35Å; Q25-R29 PolarHBondContact O-N 3.35Å; F26-R29 WeakPolarHBondContact O-CB 3.46Å; F26-R29 PolarHBondContact O-N 3Å; F26-R29 VanDerWaalsContact O-N 3.08Å; K27-R29 VanDerWaalsContact C-N 3.32Å; R29-A31 VanDerWaalsContact C-N 3.35Å |
| 30 | E | 84.6 | Confident | 90.8 | Very high | 115 Ų | 115 | 113.8 Ų | 113.8 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -79.5 | -15.9 | 178.3 | -70.9 | -171.4 | 138.5 | 0 | 0 | 113.7 | F26 K27 P32 | F26-E30 HydrophobicContact CD1-CG 4.16Å; F26-E30 WeakPolarHBondContact CD1-OE2 3.49Å; F26-E30 HydrophobicContact CE1-CG 3.92Å; F26-E30 WeakPolarHBondContact CE1-OE1 3.42Å; F26-E30 WeakPolarHBondContact CE1-OE2 3.4Å; F26-E30 HydrophobicContact CE2-CG 4.44Å; F26-E30 VanDerWaalsContact CZ-CD 3.42Å; F26-E30 HydrophobicContact CZ-CG 4.04Å; F26-E30 WeakPolarHBondContact CZ-OE1 3.49Å; F26-E30 WeakPolarHBondContact O-CG 3.43Å; F26-E30 PolarHBondContact O-N 3.14Å; K27-E30 PolarHBondContact O-N 3.18Å; E30-P32 WeakPolarHBondContact O-CD 3.4Å |
| 31 | A | 86 | Confident | 91 | Very high | 54 Ų | 54 | 112.4 Ų | 112.4 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -67 | 119.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | K27 R29 | K27-A31 WeakPolarHBondContact O-CB 3.37Å; K27-A31 PolarHBondContact O-N 2.93Å; K27-A31 VanDerWaalsContact O-N 3.07Å; R29-A31 VanDerWaalsContact C-N 3.35Å |
| 32 | P | 88.2 | Confident | 91.1 | Very high | 59 Ų | 59 | 106.2 Ų | 106.2 | 38% | 0.383 | 49% | 0.491 | S | S | . | . | trans | -70.4 | 143.2 | 179.8 | 28.8 | -33.5 | 0 | 0 | 0 | 110.6 | E30 I34 W43 | E30-P32 WeakPolarHBondContact O-CD 3.4Å; P32-I34 HydrophobicContact CB-CG1 4.37Å; P32-I34 HydrophobicContact CG-CD1 4.29Å; P32-I34 HydrophobicContact CG-CG1 4.2Å; P32-I34 PolarHBondContact O-N 3.43Å; P32-W43 HydrophobicContact CG-CH2 3.91Å; P32-W43 HydrophobicContact CG-CZ2 3.56Å | ||
| 33 | R | 92.4 | Very high | 91.3 | Very high | 232 Ų | 232 | 104.6 Ų | 104.6 | 88% | 0.875 | 48% | 0.48 | S | S | * | . | trans | -79.2 | 115 | 164.7 | -176.9 | 177.3 | 177.6 | 172.8 | -1.8 | 107.8 | ||||
| 34 | I | 93.6 | Very high | 91.4 | Very high | 31 Ų | 31 | 99.7 Ų | 99.7 | 16% | 0.159 | 46% | 0.462 | C | S | . | . | trans | -105.9 | 119.6 | -176.9 | -55.6 | 170.1 | 0 | 0 | 0 | 108.4 | P32 I39 R40 W43 | P32-I34 HydrophobicContact CB-CG1 4.37Å; P32-I34 HydrophobicContact CG-CD1 4.29Å; P32-I34 HydrophobicContact CG-CG1 4.2Å; P32-I34 PolarHBondContact O-N 3.43Å; I34-I39 HydrophobicContact CD1-CG2 4.35Å; I34-I39 HydrophobicContact CG2-CB 4.01Å; I34-I39 HydrophobicContact CG2-CG2 3.86Å; I34-R40 HydrophobicContact CB-CB 4.26Å; I34-R40 HydrophobicContact CG2-CB 3.97Å; I34-W43 HydrophobicContact CD1-CB 4.04Å; I34-W43 HydrophobicContact CD1-CD2 3.39Å; I34-W43 HydrophobicContact CD1-CE3 3.48Å; I34-W43 VanDerWaalsContact CD1-CE3 3.48Å; I34-W43 HydrophobicContact CD1-CG 3.64Å; I34-W43 HydrophobicContact CD1-CZ2 4.47Å; I34-W43 HydrophobicContact CD1-CZ3 4.06Å | ||
| 35 | E | 95.1 | Very high | 91.4 | Very high | 167 Ų | 167 | 99.2 Ų | 99.2 | 78% | 0.78 | 47% | 0.467 | S | S | * | . | trans | -85.6 | -43.5 | 179.7 | -64.6 | -178.6 | 170.7 | 0 | 0 | 111.9 | P37 | E35-P37 WeakPolarHBondContact O-CD 3.41Š| ||
| 36 | C | 94.6 | Very high | 91.3 | Very high | 34 Ų | 34 | 104.4 Ų | 104.4 | 23% | 0.23 | 49% | 0.488 | C | S | . | . | trans | -60.2 | 118.4 | 177.8 | 168 | 0 | 0 | 0 | 0 | 111.3 | Q38 I39 R40 | C36-Q38 PolarHBondContact O-N 3Å; C36-Q38 PolarHBondContact SG-OE1 3.4Å; C36-I39 HydrophobicContact CB-CB 4.4Å; C36-I39 HydrophobicContact CB-CD1 4.22Å; C36-I39 HydrophobicContact CB-CG1 4.43Å; C36-R40 WeakPolarHBondContact O-CB 3.45Å; C36-R40 PolarHBondContact O-N 2.99Å | ||
| 37 | P | 95.4 | Very high | 91.5 | Very high | 75 Ų | 75 | 101.6 Ų | 101.6 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.8 | -36.8 | -175.8 | 23 | -30.7 | 0 | 0 | 0 | 112.6 | E35 I39 R40 N41 | E35-P37 WeakPolarHBondContact O-CD 3.41Å; P37-I39 PolarHBondContact O-N 3.42Å; P37-R40 PolarHBondContact O-N 2.93Å; P37-N41 WeakPolarHBondContact O-CB 3.49Å; P37-N41 PolarHBondContact O-N 3.29Å; P37-N41 PolarHBondContact O-ND2 2.91Å; P37-N41 PolarHBondContact O-OD1 3.43Å |
| 38 | Q | 95.1 | Very high | 91.7 | Very high | 25 Ų | 25 | 99.3 Ų | 99.3 | 12% | 0.117 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -59.5 | -49.3 | -180 | -58.2 | 90.6 | -35.1 | 0 | 0 | 111.2 | C36 A42 V93 E96 L97 E100 | C36-Q38 PolarHBondContact O-N 3Å; C36-Q38 PolarHBondContact SG-OE1 3.4Å; Q38-A42 WeakPolarHBondContact O-CB 3.24Å; Q38-A42 PolarHBondContact O-N 3.15Å; Q38-V93 HydrophobicContact CB-CG1 4.37Å; Q38-E96 HydrophobicContact CG-CB 4.02Å; Q38-E96 VanDerWaalsContact CG-OE2 3.3Å; Q38-E96 WeakPolarHBondContact CG-OE2 3.41Å; Q38-L97 HydrophobicContact CB-CD2 4.45Å; Q38-E100 PolarHBondContact NE2-OE2 2.98Å |
| 39 | I | 94.9 | Very high | 91.9 | Very high | 31 Ų | 31 | 93.6 Ų | 93.6 | 16% | 0.159 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68 | -41.3 | 178.1 | -63.7 | 173.5 | 0 | 0 | 0 | 110.2 | I34 C36 P37 N41 A42 W43 M56 L58 V93 L97 | I34-I39 HydrophobicContact CD1-CG2 4.35Å; I34-I39 HydrophobicContact CG2-CB 4.01Å; I34-I39 HydrophobicContact CG2-CG2 3.86Å; C36-I39 HydrophobicContact CB-CB 4.4Å; C36-I39 HydrophobicContact CB-CD1 4.22Å; C36-I39 HydrophobicContact CB-CG1 4.43Å; P37-I39 PolarHBondContact O-N 3.42Å; I39-N41 PolarHBondContact O-N 3.46Å; I39-A42 CarbonylContact O-C 3.54Å; I39-A42 PolarHBondContact O-N 3.41Å; I39-W43 HydrophobicContact CG2-CE3 4.3Å; I39-W43 WeakPolarHBondContact O-CB 3.33Å; I39-W43 PolarHBondContact O-N 3.28Å; I39-M56 HydrophobicContact CB-SD 4.44Å; I39-M56 HydrophobicContact CG1-SD 4.45Å; I39-M56 HydrophobicContact CG2-CE 4.26Å; I39-M56 HydrophobicContact CG2-SD 3.93Å; I39-L58 HydrophobicContact CD1-CD1 3.87Å; I39-L58 HydrophobicContact CG1-CD1 4.24Å; I39-V93 HydrophobicContact CG1-CG1 4.15Å; I39-L97 HydrophobicContact CD1-CD1 4.33Å; I39-L97 HydrophobicContact CG1-CD1 4.3Å |
| 40 | R | 95.1 | Very high | 92.1 | Very high | 169 Ų | 169 | 84 Ų | 84 | 64% | 0.638 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 180 | -173.5 | 175.3 | 179.4 | 178.6 | -3.1 | 111.9 | I34 C36 P37 A42 W43 | I34-R40 HydrophobicContact CB-CB 4.26Å; I34-R40 HydrophobicContact CG2-CB 3.97Å; C36-R40 WeakPolarHBondContact O-CB 3.45Å; C36-R40 PolarHBondContact O-N 2.99Å; P37-R40 PolarHBondContact O-N 2.93Å; R40-A42 VanDerWaalsContact C-N 3.29Å; R40-A42 PolarHBondContact O-N 2.83Å; R40-W43 VanDerWaalsContact O-CB 3.31Å; R40-W43 WeakPolarHBondContact O-CB 3.39Å; R40-W43 PolarHBondContact O-N 2.87Å |
| 41 | N | 94.2 | Very high | 92.5 | Very high | 135 Ų | 135 | 84 Ų | 84 | 72% | 0.722 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65 | -35.3 | 178.1 | -68.5 | -16 | 0 | 0 | 0 | 111.6 | P37 I39 W43 | P37-N41 WeakPolarHBondContact O-CB 3.49Å; P37-N41 PolarHBondContact O-N 3.29Å; P37-N41 PolarHBondContact O-ND2 2.91Å; P37-N41 PolarHBondContact O-OD1 3.43Å; I39-N41 PolarHBondContact O-N 3.46Å; N41-W43 VanDerWaalsContact C-N 3.34Å |
| 42 | A | 94.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 81.5 Ų | 81.5 | 1% | 0.008 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -83.5 | -7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q38 I39 R40 M56 K90 Y92 V93 | Q38-A42 WeakPolarHBondContact O-CB 3.24Å; Q38-A42 PolarHBondContact O-N 3.15Å; I39-A42 CarbonylContact O-C 3.54Å; I39-A42 PolarHBondContact O-N 3.41Å; R40-A42 VanDerWaalsContact C-N 3.29Å; R40-A42 PolarHBondContact O-N 2.83Å; A42-M56 HydrophobicContact CB-CE 3.47Å; A42-M56 VanDerWaalsContact CB-CE 3.47Å; A42-M56 HydrophobicContact CB-CG 4.4Å; A42-M56 HydrophobicContact CB-SD 4.14Å; A42-M56 VanDerWaalsContact O-CE 3.28Å; A42-M56 WeakPolarHBondContact O-CE 3.32Å; A42-K90 HydrophobicContact CB-CD 4.2Å; A42-K90 PolarHBondContact O-NZ 2.99Å; A42-Y92 HydrophobicContact CB-CE2 4.27Å; A42-Y92 VanDerWaalsContact CB-OH 3.28Å; A42-Y92 WeakPolarHBondContact CB-OH 3.45Å; A42-V93 HydrophobicContact CB-CG2 3.4Å |
| 43 | W | 94.4 | Very high | 93.1 | Very high | 47 Ų | 47 | 80 Ų | 80 | 18% | 0.178 | 39% | 0.386 | C | S | . | . | trans | -71.2 | 147.2 | -174.5 | -166.4 | -100.8 | 0 | 0 | 0 | 112.8 | P32 I34 I39 R40 N41 V49 N52 L53 M56 | P32-W43 HydrophobicContact CG-CH2 3.91Å; P32-W43 HydrophobicContact CG-CZ2 3.56Å; I34-W43 HydrophobicContact CD1-CB 4.04Å; I34-W43 HydrophobicContact CD1-CD2 3.39Å; I34-W43 HydrophobicContact CD1-CE3 3.48Å; I34-W43 VanDerWaalsContact CD1-CE3 3.48Å; I34-W43 HydrophobicContact CD1-CG 3.64Å; I34-W43 HydrophobicContact CD1-CZ2 4.47Å; I34-W43 HydrophobicContact CD1-CZ3 4.06Å; I39-W43 HydrophobicContact CG2-CE3 4.3Å; I39-W43 WeakPolarHBondContact O-CB 3.33Å; I39-W43 PolarHBondContact O-N 3.28Å; R40-W43 VanDerWaalsContact O-CB 3.31Å; R40-W43 WeakPolarHBondContact O-CB 3.39Å; R40-W43 PolarHBondContact O-N 2.87Å; N41-W43 VanDerWaalsContact C-N 3.34Å; W43-V49 HydrophobicContact CH2-CB 4.06Å; W43-V49 HydrophobicContact CH2-CG1 3.97Å; W43-V49 HydrophobicContact CH2-CG2 3.98Å; W43-V49 HydrophobicContact CZ2-CG2 4.02Å; W43-N52 HydrophobicContact CD2-CB 4.28Å; W43-N52 VanDerWaalsContact CE2-ND2 3.31Å; W43-N52 HydrophobicContact CE3-CB 3.77Å; W43-N52 HydrophobicContact CH2-CB 3.95Å; W43-N52 HydrophobicContact CZ2-CB 4.42Å; W43-N52 WeakPolarHBondContact CZ2-ND2 3.48Å; W43-N52 HydrophobicContact CZ3-CB 3.59Å; W43-L53 HydrophobicContact CZ3-CD2 4.4Å; W43-M56 HydrophobicContact CE3-CE 4.13Å | ||
| 44 | S | 92.7 | Very high | 93 | Very high | 31 Ų | 31 | 76.2 Ų | 76.2 | 22% | 0.217 | 37% | 0.371 | C | S | . | . | trans | -133.8 | 114.4 | 176.1 | 153.1 | 0 | 0 | 0 | 0 | 111.1 | K46 K47 N52 | S44-K46 PolarHBondContact O-N 3.2Å; S44-K46 VanDerWaalsContact O-N 3.08Å; S44-K47 PolarHBondContact O-N 3.41Å; S44-N52 PolarHBondContact O-ND2 3.4Å; S44-N52 PolarHBondContact O-OD1 3.11Å | ||
| 45 | D | 89.6 | Confident | 93 | Very high | 139 Ų | 139 | 75.2 Ų | 75.2 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17.1 | -179.3 | -60.2 | -25.3 | 0 | 0 | 0 | 114.4 | K47 | D45-K47 VanDerWaalsContact C-N 3.31Š|
| 46 | K | 89.6 | Confident | 93 | Very high | 207 Ų | 207 | 67.3 Ų | 67.3 | 90% | 0.9 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -15.5 | 177.8 | -63.3 | -177.9 | -177.4 | 176.2 | 0 | 112.9 | S44 | S44-K46 PolarHBondContact O-N 3.2Å; S44-K46 VanDerWaalsContact O-N 3.08Å |
| 47 | K | 91.1 | Very high | 92.8 | Very high | 63 Ų | 63 | 67.2 Ų | 67.2 | 27% | 0.274 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -108.2 | 154.2 | -176 | -67.6 | 177.2 | -176.9 | 177.3 | 0 | 109.9 | S44 D45 R51 N52 D55 | S44-K47 PolarHBondContact O-N 3.41Å; D45-K47 VanDerWaalsContact C-N 3.31Å; K47-R51 HydrophobicContact CB-CB 4.45Å; K47-R51 HydrophobicContact CD-CG 4.39Å; K47-N52 WeakPolarHBondContact CB-OD1 3.28Å; K47-D55 IonicContact NZ-OD2 3.01Å; K47-D55 PolarHBondContact NZ-OD2 3.35Å |
| 48 | S | 90.5 | Very high | 92.6 | Very high | 74 Ų | 74 | 65.9 Ų | 65.9 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | trans | -68.3 | 155.3 | 171.6 | 62.7 | 0 | 0 | 0 | 0 | 111 | A50 R51 N52 | S48-A50 VanDerWaalsContact C-N 3.28Å; S48-A50 PolarHBondContact O-N 2.98Å; S48-R51 PolarHBondContact O-N 3.02Å; S48-R51 WeakPolarHBondContact OG-CB 3.46Å; S48-R51 PolarHBondContact OG-N 3.01Å; S48-N52 PolarHBondContact O-N 3.14Å | ||
| 49 | V | 90.9 | Very high | 92.4 | Very high | 52 Ų | 52 | 67.7 Ų | 67.7 | 32% | 0.315 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -49.9 | -50.6 | 175.9 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | W43 R51 N52 L53 F60 | W43-V49 HydrophobicContact CH2-CB 4.06Å; W43-V49 HydrophobicContact CH2-CG1 3.97Å; W43-V49 HydrophobicContact CH2-CG2 3.98Å; W43-V49 HydrophobicContact CZ2-CG2 4.02Å; V49-R51 VanDerWaalsContact C-N 3.28Å; V49-R51 PolarHBondContact O-N 3.38Å; V49-N52 PolarHBondContact O-N 3.45Å; V49-L53 HydrophobicContact CG1-CD1 4.15Å; V49-L53 WeakPolarHBondContact O-CG 3.42Å; V49-L53 PolarHBondContact O-N 3.04Å; V49-F60 HydrophobicContact CB-CD2 4.41Å; V49-F60 HydrophobicContact CB-CE2 4.03Å; V49-F60 HydrophobicContact CG1-CD2 3.75Å; V49-F60 HydrophobicContact CG1-CE2 3.56Å |
| 50 | A | 91.3 | Very high | 92.2 | Very high | 23 Ų | 23 | 72.2 Ų | 72.2 | 19% | 0.19 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.9 | -33.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S48 R54 F60 | S48-A50 VanDerWaalsContact C-N 3.28Å; S48-A50 PolarHBondContact O-N 2.98Å; A50-R54 VanDerWaalsContact O-CB 3.27Å; A50-R54 WeakPolarHBondContact O-CB 3.37Å; A50-R54 PolarHBondContact O-N 2.96Å; A50-R54 VanDerWaalsContact O-N 3.12Å; A50-F60 HydrophobicContact CB-CB 3.93Å; A50-F60 HydrophobicContact CB-CD1 3.78Å; A50-F60 HydrophobicContact CB-CD2 3.83Å; A50-F60 HydrophobicContact CB-CE1 4.25Å; A50-F60 HydrophobicContact CB-CE2 4.29Å; A50-F60 HydrophobicContact CB-CG 3.54Å; A50-F60 HydrophobicContact CB-CZ 4.48Å |
| 51 | R | 92.5 | Very high | 92 | Very high | 114 Ų | 114 | 67.4 Ų | 67.4 | 43% | 0.43 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -77.5 | -39.3 | 177.5 | -172.6 | 173.3 | -172.7 | 156.3 | 3.1 | 111.6 | K47 S48 V49 R54 D55 | K47-R51 HydrophobicContact CB-CB 4.45Å; K47-R51 HydrophobicContact CD-CG 4.39Å; S48-R51 PolarHBondContact O-N 3.02Å; S48-R51 WeakPolarHBondContact OG-CB 3.46Å; S48-R51 PolarHBondContact OG-N 3.01Å; V49-R51 VanDerWaalsContact C-N 3.28Å; V49-R51 PolarHBondContact O-N 3.38Å; R51-R54 PolarHBondContact O-N 3.32Å; R51-D55 WeakPolarHBondContact O-CB 3.48Å; R51-D55 PolarHBondContact O-N 3.13Å |
| 52 | N | 93.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.011 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.9 | -50 | 174.7 | -79.4 | -33.2 | 0 | 0 | 0 | 110.9 | W43 S44 K47 S48 V49 R54 D55 M56 | W43-N52 HydrophobicContact CD2-CB 4.28Å; W43-N52 VanDerWaalsContact CE2-ND2 3.31Å; W43-N52 HydrophobicContact CE3-CB 3.77Å; W43-N52 HydrophobicContact CH2-CB 3.95Å; W43-N52 HydrophobicContact CZ2-CB 4.42Å; W43-N52 WeakPolarHBondContact CZ2-ND2 3.48Å; W43-N52 HydrophobicContact CZ3-CB 3.59Å; S44-N52 PolarHBondContact O-ND2 3.4Å; S44-N52 PolarHBondContact O-OD1 3.11Å; K47-N52 WeakPolarHBondContact CB-OD1 3.28Å; S48-N52 PolarHBondContact O-N 3.14Å; V49-N52 PolarHBondContact O-N 3.45Å; N52-R54 PolarHBondContact O-N 2.92Å; N52-D55 PolarHBondContact O-N 3.3Å; N52-M56 WeakPolarHBondContact O-CG 3.32Å; N52-M56 PolarHBondContact O-N 3.33Å; N52-M56 VanDerWaalsContact O-N 3.07Å |
| 53 | L | 92.4 | Very high | 91.3 | Very high | 28 Ų | 28 | 70.1 Ų | 70.1 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 178.1 | -66.4 | 179.5 | 0 | 0 | 0 | 111.4 | W43 V49 D55 M56 G57 L58 F60 | W43-L53 HydrophobicContact CZ3-CD2 4.4Å; V49-L53 HydrophobicContact CG1-CD1 4.15Å; V49-L53 WeakPolarHBondContact O-CG 3.42Å; V49-L53 PolarHBondContact O-N 3.04Å; L53-D55 VanDerWaalsContact C-N 3.33Å; L53-D55 PolarHBondContact O-N 2.79Å; L53-M56 CarbonylContact O-C 3.3Å; L53-M56 WeakPolarHBondContact O-CA 3.42Å; L53-M56 PolarHBondContact O-N 3.21Å; L53-M56 VanDerWaalsContact O-N 3.1Å; L53-G57 PolarHBondContact O-N 3.5Å; L53-L58 CarbonylContact C-O 3.56Å; L53-L58 VanDerWaalsContact C-O 3.3Å; L53-L58 HydrophobicContact CB-CB 4Å; L53-L58 HydrophobicContact CD2-CB 4.03Å; L53-L58 HydrophobicContact CD2-CD1 3.81Å; L53-L58 PolarHBondContact O-N 3.4Å; L53-F60 HydrophobicContact CD1-CB 4.22Å; L53-F60 HydrophobicContact CD1-CD2 3.99Å |
| 54 | R | 92.1 | Very high | 90.9 | Very high | 153 Ų | 153 | 77.9 Ų | 77.9 | 58% | 0.577 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.7 | -41.9 | 175.7 | -173.3 | -173 | -57.7 | 139.8 | 4 | 112.8 | A50 R51 N52 M56 G57 | A50-R54 VanDerWaalsContact O-CB 3.27Å; A50-R54 WeakPolarHBondContact O-CB 3.37Å; A50-R54 PolarHBondContact O-N 2.96Å; A50-R54 VanDerWaalsContact O-N 3.12Å; R51-R54 PolarHBondContact O-N 3.32Å; N52-R54 PolarHBondContact O-N 2.92Å; R54-M56 PolarHBondContact O-N 2.79Å; R54-G57 PolarHBondContact O-N 2.92Å |
| 55 | D | 93.7 | Very high | 90.5 | Very high | 10 Ų | 10 | 78.9 Ų | 78.9 | 5% | 0.053 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.4 | -32.8 | 178.4 | -75.4 | -5.9 | 0 | 0 | 0 | 111.2 | K47 R51 N52 L53 G57 V88 R89 K90 | K47-D55 IonicContact NZ-OD2 3.01Å; K47-D55 PolarHBondContact NZ-OD2 3.35Å; R51-D55 WeakPolarHBondContact O-CB 3.48Å; R51-D55 PolarHBondContact O-N 3.13Å; N52-D55 PolarHBondContact O-N 3.3Å; L53-D55 VanDerWaalsContact C-N 3.33Å; L53-D55 PolarHBondContact O-N 2.79Å; D55-G57 VanDerWaalsContact C-N 3.33Å; D55-V88 WeakPolarHBondContact O-CG1 3.33Å; D55-R89 HydrophobicContact CB-CB 4.29Å; D55-R89 PolarHBondContact O-N 2.86Å; D55-R89 VanDerWaalsContact O-N 3.11Å; D55-R89 WeakPolarHBondContact OD1-CD 3.47Å; D55-R89 IonicContact OD1-NE 2.59Å; D55-K90 WeakPolarHBondContact O-CB 3.39Å; D55-K90 PolarHBondContact O-N 3.39Å |
| 56 | M | 93.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.005 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -6.1 | 172.2 | -60.4 | 175.6 | -164.7 | 0 | 0 | 113.4 | I39 A42 W43 N52 L53 R54 L58 V93 L94 | I39-M56 HydrophobicContact CB-SD 4.44Å; I39-M56 HydrophobicContact CG1-SD 4.45Å; I39-M56 HydrophobicContact CG2-CE 4.26Å; I39-M56 HydrophobicContact CG2-SD 3.93Å; A42-M56 HydrophobicContact CB-CE 3.47Å; A42-M56 VanDerWaalsContact CB-CE 3.47Å; A42-M56 HydrophobicContact CB-CG 4.4Å; A42-M56 HydrophobicContact CB-SD 4.14Å; A42-M56 VanDerWaalsContact O-CE 3.28Å; A42-M56 WeakPolarHBondContact O-CE 3.32Å; W43-M56 HydrophobicContact CE3-CE 4.13Å; N52-M56 WeakPolarHBondContact O-CG 3.32Å; N52-M56 PolarHBondContact O-N 3.33Å; N52-M56 VanDerWaalsContact O-N 3.07Å; L53-M56 CarbonylContact O-C 3.3Å; L53-M56 WeakPolarHBondContact O-CA 3.42Å; L53-M56 PolarHBondContact O-N 3.21Å; L53-M56 VanDerWaalsContact O-N 3.1Å; R54-M56 PolarHBondContact O-N 2.79Å; M56-L58 VanDerWaalsContact C-N 3.35Å; M56-L58 HydrophobicContact CB-CD1 4.35Å; M56-L58 HydrophobicContact CB-CG 4.32Å; M56-V93 HydrophobicContact CB-CB 4.41Å; M56-V93 HydrophobicContact CB-CG1 4.45Å; M56-V93 HydrophobicContact CG-CB 4.45Å; M56-V93 HydrophobicContact CG-CG1 4.45Å; M56-V93 HydrophobicContact CG-CG2 4.17Å; M56-V93 HydrophobicContact SD-CG1 4.21Å; M56-L94 WeakPolarHBondContact O-CD1 3.4Å; M56-L94 WeakPolarHBondContact O-CG 3.46Å |
| 57 | G | 90.8 | Very high | 89.9 | Confident | 32 Ų | 32 | 73.3 Ų | 73.3 | 33% | 0.33 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 14.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L53 R54 D55 | L53-G57 PolarHBondContact O-N 3.5Å; R54-G57 PolarHBondContact O-N 2.92Å; D55-G57 VanDerWaalsContact C-N 3.33Å |
| 58 | L | 91.6 | Very high | 89.4 | Confident | 47 Ų | 47 | 76.7 Ų | 76.7 | 25% | 0.246 | 41% | 0.41 | C | S | . | . | trans | -91.6 | 147.7 | 175.1 | -62.1 | 173.6 | 0 | 0 | 0 | 111.7 | I39 L53 M56 L94 | I39-L58 HydrophobicContact CD1-CD1 3.87Å; I39-L58 HydrophobicContact CG1-CD1 4.24Å; L53-L58 CarbonylContact C-O 3.56Å; L53-L58 VanDerWaalsContact C-O 3.3Å; L53-L58 HydrophobicContact CB-CB 4Å; L53-L58 HydrophobicContact CD2-CB 4.03Å; L53-L58 HydrophobicContact CD2-CD1 3.81Å; L53-L58 PolarHBondContact O-N 3.4Å; M56-L58 VanDerWaalsContact C-N 3.35Å; M56-L58 HydrophobicContact CB-CD1 4.35Å; M56-L58 HydrophobicContact CB-CG 4.32Å; L58-L94 HydrophobicContact CD2-CD2 3.73Å; L58-L94 HydrophobicContact CG-CD2 4.44Å | ||
| 59 | A | 91.6 | Very high | 88.7 | Confident | 63 Ų | 63 | 80.8 Ų | 80.8 | 52% | 0.521 | 42% | 0.418 | S | S | . | . | trans | -77.3 | 132.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A65 | A59-A65 HydrophobicContact CB-CB 3.67Š| ||
| 60 | F | 90.6 | Very high | 87.6 | Confident | 126 Ų | 126 | 82.8 Ų | 82.8 | 55% | 0.553 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -80.4 | -38.2 | 172.2 | 173.9 | -107.6 | 0 | 0 | 0 | 112.7 | V49 A50 L53 | V49-F60 HydrophobicContact CB-CD2 4.41Å; V49-F60 HydrophobicContact CB-CE2 4.03Å; V49-F60 HydrophobicContact CG1-CD2 3.75Å; V49-F60 HydrophobicContact CG1-CE2 3.56Å; A50-F60 HydrophobicContact CB-CB 3.93Å; A50-F60 HydrophobicContact CB-CD1 3.78Å; A50-F60 HydrophobicContact CB-CD2 3.83Å; A50-F60 HydrophobicContact CB-CE1 4.25Å; A50-F60 HydrophobicContact CB-CE2 4.29Å; A50-F60 HydrophobicContact CB-CG 3.54Å; A50-F60 HydrophobicContact CB-CZ 4.48Å; L53-F60 HydrophobicContact CD1-CB 4.22Å; L53-F60 HydrophobicContact CD1-CD2 3.99Å |
| 61 | D | 89.4 | Confident | 86.3 | Confident | 68 Ų | 68 | 90.2 Ų | 90.2 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | trans | -125.6 | 113.6 | 179.4 | 177.4 | -0.1 | 0 | 0 | 0 | 108.1 | N63 R64 A65 | D61-N63 VanDerWaalsContact C-N 3.33Å; D61-N63 PolarHBondContact O-N 3.35Å; D61-N63 PolarHBondContact OD1-N 3Å; D61-R64 HydrophobicContact CB-CB 3.98Å; D61-R64 PolarHBondContact O-N 3Å; D61-A65 PolarHBondContact O-N 3.17Å; D61-A65 VanDerWaalsContact O-N 3.1Å | ||
| 62 | P | 87.4 | Confident | 84.8 | Confident | 86 Ų | 86 | 88.9 Ų | 88.9 | 56% | 0.558 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.7 | -36 | -177.6 | 26.1 | -33.6 | 0 | 0 | 0 | 112 | R64 A65 L66 | P62-R64 VanDerWaalsContact C-N 3.26Å; P62-R64 PolarHBondContact O-N 3.14Å; P62-A65 PolarHBondContact O-N 3.3Å; P62-A65 VanDerWaalsContact O-N 3.16Å; P62-L66 PolarHBondContact O-N 3.42Å |
| 63 | N | 87.4 | Confident | 83.1 | Confident | 106 Ų | 106 | 99.1 Ų | 99.1 | 57% | 0.567 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69 | -28.8 | -179.2 | -67.8 | -31.1 | 0 | 0 | 0 | 111.9 | D61 L66 P67 | D61-N63 VanDerWaalsContact C-N 3.33Å; D61-N63 PolarHBondContact O-N 3.35Å; D61-N63 PolarHBondContact OD1-N 3Å; N63-L66 CarbonylContact O-C 3.42Å; N63-P67 VanDerWaalsContact O-CA 3.31Å; N63-P67 WeakPolarHBondContact O-CA 3.12Å |
| 64 | R | 85.7 | Confident | 81.4 | Confident | 210 Ų | 210 | 102 Ų | 102 | 79% | 0.792 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -77.7 | -34.3 | 173.4 | -175.8 | 176.1 | 177.2 | 168.9 | 3.6 | 112.4 | D61 P62 | D61-R64 HydrophobicContact CB-CB 3.98Å; D61-R64 PolarHBondContact O-N 3Å; P62-R64 VanDerWaalsContact C-N 3.26Å; P62-R64 PolarHBondContact O-N 3.14Å |
| 65 | A | 84.7 | Confident | 79.6 | Confident | 52 Ų | 52 | 97 Ų | 97 | 43% | 0.43 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -76.7 | -39.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | A59 D61 P62 | A59-A65 HydrophobicContact CB-CB 3.67Å; D61-A65 PolarHBondContact O-N 3.17Å; D61-A65 VanDerWaalsContact O-N 3.1Å; P62-A65 PolarHBondContact O-N 3.3Å; P62-A65 VanDerWaalsContact O-N 3.16Å |
| 66 | L | 83.6 | Confident | 77.7 | Confident | 138 Ų | 138 | 103.1 Ų | 103.1 | 72% | 0.723 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -127.6 | 80.2 | -178.8 | -60.9 | 177.4 | 0 | 0 | 0 | 108.8 | P62 N63 I68 | P62-L66 PolarHBondContact O-N 3.42Å; N63-L66 CarbonylContact O-C 3.42Å; L66-I68 PolarHBondContact O-N 3.42Å |
| 67 | P | 82.6 | Confident | 75.6 | Confident | 92 Ų | 92 | 107.3 Ų | 107.3 | 60% | 0.597 | 61% | 0.608 | S | S | * | * | trans | -64.7 | 127.8 | 179.9 | 26.4 | -33.3 | 0 | 0 | 0 | 110.6 | N63 K69 | N63-P67 VanDerWaalsContact O-CA 3.31Å; N63-P67 WeakPolarHBondContact O-CA 3.12Å; P67-K69 PolarHBondContact O-N 3.03Å | ||
| 68 | I | 80.2 | Confident | 73.8 | Confident | 133 Ų | 133 | 116.1 Ų | 116.1 | 68% | 0.682 | 63% | 0.631 | S | S | * | * | trans | -65.2 | 109.3 | 174.4 | -59 | 172.4 | 0 | 0 | 0 | 107.8 | L66 T70 | L66-I68 PolarHBondContact O-N 3.42Å; I68-T70 HydrophobicContact CG2-CG2 4.47Å; I68-T70 PolarHBondContact O-N 3.03Å | ||
| 69 | K | 75.8 | Confident | 72 | Confident | 160 Ų | 160 | 120.3 Ų | 120.3 | 70% | 0.696 | 66% | 0.658 | S | S | * | * | trans | -70.6 | 93.8 | 173.9 | -63.6 | -175.1 | 179.6 | -173.4 | 0 | 107.9 | P67 L71 E80 | P67-K69 PolarHBondContact O-N 3.03Å; K69-L71 PolarHBondContact O-N 2.87Å; K69-E80 IonicContact NZ-OE1 2.68Å; K69-E80 PolarHBondContact NZ-OE1 3.27Å; K69-E80 VanDerWaalsContact NZ-OE1 3.09Å | ||
| 70 | T | 68.7 | Low | 70.4 | Confident | 94 Ų | 94 | 124.8 Ų | 124.8 | 58% | 0.577 | 67% | 0.669 | S | S | * | * | trans | -71.4 | 123.6 | 167.2 | 51.8 | 0 | 0 | 0 | 0 | 108.2 | I68 T72 | I68-T70 HydrophobicContact CG2-CG2 4.47Å; I68-T70 PolarHBondContact O-N 3.03Å; T70-T72 PolarHBondContact O-N 2.91Å | ||
| 71 | L | 63.3 | Low | 68.7 | Low | 179 Ų | 179 | 127.5 Ų | 127.5 | 94% | 0.937 | 68% | 0.683 | S | S | * | * | trans | -69.8 | 75.2 | 177.2 | -63.6 | 172.3 | 0 | 0 | 0 | 109.4 | K69 | K69-L71 PolarHBondContact O-N 2.87Š| ||
| 72 | T | 62.1 | Low | 67 | Low | 86 Ų | 86 | 128.2 Ų | 128.2 | 53% | 0.528 | 70% | 0.699 | S | S | . | * | trans | -97 | 138.6 | 164.3 | 51.4 | 0 | 0 | 0 | 0 | 107.6 | T70 A74 A75 | T70-T72 PolarHBondContact O-N 2.91Å; T72-A74 PolarHBondContact O-N 3.09Å; T72-A75 WeakPolarHBondContact O-CB 3.46Å; T72-A75 PolarHBondContact O-N 3.35Å | ||
| 73 | F | 57.5 | Low | 65.5 | Low | 217 Ų | 217 | 129.9 Ų | 129.9 | 95% | 0.952 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -18.4 | -173.2 | -133.4 | -91.7 | 0 | 0 | 0 | 114.2 | ||
| 74 | A | 57.3 | Low | 64.1 | Low | 88 Ų | 88 | 130.5 Ų | 130.5 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -6.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | T72 V76 | T72-A74 PolarHBondContact O-N 3.09Å; A74-V76 PolarHBondContact O-N 3.03Å |
| 75 | A | 53 | Low | 62.7 | Low | 49 Ų | 49 | 128.8 Ų | 128.8 | 41% | 0.405 | 72% | 0.723 | S | S | . | * | G | 310 helix | trans | -84 | -5.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T72 A77 | T72-A75 WeakPolarHBondContact O-CB 3.46Å; T72-A75 PolarHBondContact O-N 3.35Å; A75-A77 PolarHBondContact O-N 2.95Å |
| 76 | V | 54 | Low | 61.9 | Low | 139 Ų | 139 | 134.6 Ų | 134.6 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -70 | -14.2 | -178.7 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | A74 | A74-V76 PolarHBondContact O-N 3.03Š|
| 77 | A | 49.6 | Very low | 61.7 | Low | 89 Ų | 89 | 136.8 Ų | 136.8 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -104.8 | 29.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | A75 | A75-A77 PolarHBondContact O-N 2.95Š|
| 78 | R | 53.4 | Low | 61.9 | Low | 217 Ų | 217 | 134.4 Ų | 134.4 | 82% | 0.819 | 73% | 0.726 | S | S | * | * | trans | -104.8 | 98.3 | 170.3 | -69.7 | -172 | -176 | -174.3 | 2.7 | 109.8 | E80 | R78-E80 PolarHBondContact O-N 3.28Š| ||
| 79 | T | 53.2 | Low | 62.4 | Low | 134 Ų | 134 | 135 Ų | 135 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | trans | -48.1 | 120.3 | 168.1 | -32.4 | 0 | 0 | 0 | 0 | 109.1 | E81 | T79-E81 VanDerWaalsContact C-N 3.32Å; T79-E81 PolarHBondContact O-N 3.48Å | ||
| 80 | E | 58.5 | Low | 63.2 | Low | 157 Ų | 157 | 129.7 Ų | 129.7 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | trans | -70.7 | 90.6 | 176.3 | -61.4 | -169.3 | 152.1 | 0 | 0 | 107.8 | K69 R78 A82 | K69-E80 IonicContact NZ-OE1 2.68Å; K69-E80 PolarHBondContact NZ-OE1 3.27Å; K69-E80 VanDerWaalsContact NZ-OE1 3.09Å; R78-E80 PolarHBondContact O-N 3.28Å; E80-A82 PolarHBondContact O-N 2.99Å | ||
| 81 | E | 54.5 | Low | 64.4 | Low | 183 Ų | 183 | 128.4 Ų | 128.4 | 86% | 0.855 | 69% | 0.69 | S | S | * | * | trans | -60.7 | 122.6 | 169.7 | -68.8 | -155.2 | 175.7 | 0 | 0 | 108.6 | T79 | T79-E81 VanDerWaalsContact C-N 3.32Å; T79-E81 PolarHBondContact O-N 3.48Å | ||
| 82 | A | 55.1 | Low | 65.9 | Low | 84 Ų | 84 | 124.5 Ų | 124.5 | 69% | 0.694 | 66% | 0.663 | S | S | * | * | trans | -49.1 | 132.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110 | E80 T84 | E80-A82 PolarHBondContact O-N 2.99Å; A82-T84 PolarHBondContact O-N 3.45Å | ||
| 83 | P | 55.6 | Low | 67.5 | Low | 121 Ų | 121 | 120.4 Ų | 120.4 | 79% | 0.786 | 64% | 0.638 | S | S | * | * | trans | -62.7 | 108.1 | -176.9 | 23.7 | -30.8 | 0 | 0 | 0 | 108.6 | L85 | P83-L85 PolarHBondContact O-N 2.96Å; P83-L85 VanDerWaalsContact O-N 3.09Å | ||
| 84 | T | 57.8 | Low | 69.2 | Low | 118 Ų | 118 | 112.4 Ų | 112.4 | 72% | 0.724 | 61% | 0.605 | S | S | * | * | trans | -51.2 | 121 | 168.8 | 45 | 0 | 0 | 0 | 0 | 108.1 | A82 K86 | A82-T84 PolarHBondContact O-N 3.45Å; T84-K86 PolarHBondContact O-N 3.49Å | ||
| 85 | L | 56.7 | Low | 71 | Confident | 174 Ų | 174 | 113.4 Ų | 113.4 | 91% | 0.911 | 60% | 0.598 | S | S | * | * | trans | -60.7 | 100.3 | -179.6 | -67.2 | 172.7 | 0 | 0 | 0 | 108.1 | P83 F87 | P83-L85 PolarHBondContact O-N 2.96Å; P83-L85 VanDerWaalsContact O-N 3.09Å; L85-F87 PolarHBondContact O-N 2.89Å | ||
| 86 | K | 68 | Low | 73.1 | Confident | 174 Ų | 174 | 115.2 Ų | 115.2 | 76% | 0.757 | 60% | 0.598 | S | S | * | * | trans | -69 | 108.4 | 179.1 | -68 | 173.6 | -172.4 | 160.4 | 0 | 107.3 | T84 V88 | T84-K86 PolarHBondContact O-N 3.49Å; K86-V88 PolarHBondContact O-N 3.22Å; K86-V88 VanDerWaalsContact O-N 3.1Å | ||
| 87 | F | 78.2 | Confident | 75.1 | Confident | 184 Ų | 184 | 110.5 Ų | 110.5 | 81% | 0.807 | 57% | 0.568 | S | S | * | * | trans | -57.7 | 115 | 175 | -179.2 | -96.1 | 0 | 0 | 0 | 110.5 | L85 R89 | L85-F87 PolarHBondContact O-N 2.89Å; F87-R89 HydrophobicContact CD1-CG 4.44Å; F87-R89 HydrophobicContact CE1-CG 4.28Å | ||
| 88 | V | 86.6 | Confident | 77.2 | Confident | 43 Ų | 43 | 109.9 Ų | 109.9 | 26% | 0.261 | 56% | 0.555 | S | S | . | * | trans | -89.5 | 126.2 | 178 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | D55 K86 P91 | D55-V88 WeakPolarHBondContact O-CG1 3.33Å; K86-V88 PolarHBondContact O-N 3.22Å; K86-V88 VanDerWaalsContact O-N 3.1Å; V88-P91 HydrophobicContact CG1-CB 4.45Å | ||
| 89 | R | 91.2 | Very high | 79.2 | Confident | 146 Ų | 146 | 102.4 Ų | 102.4 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -78.5 | -32.3 | -177.6 | -65.8 | -174.2 | 178.6 | -153.3 | -6 | 113.1 | D55 F87 P91 | D55-R89 HydrophobicContact CB-CB 4.29Å; D55-R89 PolarHBondContact O-N 2.86Å; D55-R89 VanDerWaalsContact O-N 3.11Å; D55-R89 WeakPolarHBondContact OD1-CD 3.47Å; D55-R89 IonicContact OD1-NE 2.59Å; F87-R89 HydrophobicContact CD1-CG 4.44Å; F87-R89 HydrophobicContact CE1-CG 4.28Å; R89-P91 VanDerWaalsContact C-CD 3.42Å; R89-P91 WeakPolarHBondContact O-CD 3.44Å |
| 90 | K | 93.8 | Very high | 81.2 | Confident | 48 Ų | 48 | 101.1 Ų | 101.1 | 21% | 0.209 | 52% | 0.524 | C | S | . | . | trans | -123.9 | 67.2 | -175.8 | -62.4 | -171.9 | 174 | -156.4 | 0 | 110.1 | A42 D55 Y92 V93 | A42-K90 HydrophobicContact CB-CD 4.2Å; A42-K90 PolarHBondContact O-NZ 2.99Å; D55-K90 WeakPolarHBondContact O-CB 3.39Å; D55-K90 PolarHBondContact O-N 3.39Å; K90-Y92 HydrophobicContact CB-CD1 4.1Å; K90-Y92 HydrophobicContact CB-CE1 3.56Å; K90-Y92 HydrophobicContact CD-CE1 4.17Å; K90-Y92 HydrophobicContact CG-CE1 3.87Å; K90-Y92 PolarHBondContact O-N 3.19Å; K90-V93 HydrophobicContact CB-CG2 4.4Å | ||
| 91 | P | 93.1 | Very high | 82.9 | Confident | 66 Ų | 66 | 97.5 Ų | 97.5 | 43% | 0.429 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68 | -24.4 | -176 | 28.9 | -35.8 | 0 | 0 | 0 | 112.9 | V88 R89 V93 L94 N95 | V88-P91 HydrophobicContact CG1-CB 4.45Å; R89-P91 VanDerWaalsContact C-CD 3.42Å; R89-P91 WeakPolarHBondContact O-CD 3.44Å; P91-V93 PolarHBondContact O-N 2.59Å; P91-L94 PolarHBondContact O-N 2.9Å; P91-L94 VanDerWaalsContact O-N 3.11Å; P91-N95 PolarHBondContact O-N 2.99Å |
| 92 | Y | 95.2 | Very high | 84.9 | Confident | 97 Ų | 97 | 94.6 Ų | 94.6 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -55.7 | -36.3 | -179.5 | 67 | -89.9 | 0 | 0 | 0 | 113.1 | A42 K90 L94 N95 E96 | A42-Y92 HydrophobicContact CB-CE2 4.27Å; A42-Y92 VanDerWaalsContact CB-OH 3.28Å; A42-Y92 WeakPolarHBondContact CB-OH 3.45Å; K90-Y92 HydrophobicContact CB-CD1 4.1Å; K90-Y92 HydrophobicContact CB-CE1 3.56Å; K90-Y92 HydrophobicContact CD-CE1 4.17Å; K90-Y92 HydrophobicContact CG-CE1 3.87Å; K90-Y92 PolarHBondContact O-N 3.19Å; Y92-L94 PolarHBondContact O-N 3.32Å; Y92-N95 PolarHBondContact O-N 3.26Å; Y92-E96 WeakPolarHBondContact O-CG 3.3Å; Y92-E96 PolarHBondContact O-N 3.24Å |
| 93 | V | 95.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 96.3 Ų | 96.3 | 0% | 0 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 179.2 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | Q38 I39 A42 M56 K90 P91 L97 | Q38-V93 HydrophobicContact CB-CG1 4.37Å; I39-V93 HydrophobicContact CG1-CG1 4.15Å; A42-V93 HydrophobicContact CB-CG2 3.4Å; M56-V93 HydrophobicContact CB-CB 4.41Å; M56-V93 HydrophobicContact CB-CG1 4.45Å; M56-V93 HydrophobicContact CG-CB 4.45Å; M56-V93 HydrophobicContact CG-CG1 4.45Å; M56-V93 HydrophobicContact CG-CG2 4.17Å; M56-V93 HydrophobicContact SD-CG1 4.21Å; K90-V93 HydrophobicContact CB-CG2 4.4Å; P91-V93 PolarHBondContact O-N 2.59Å; V93-L97 HydrophobicContact CG1-CD1 4.08Å; V93-L97 WeakPolarHBondContact O-CB 3.26Å; V93-L97 VanDerWaalsContact O-CG 3.23Å; V93-L97 WeakPolarHBondContact O-CG 3.37Å; V93-L97 PolarHBondContact O-N 3.27Å |
| 94 | L | 93.6 | Very high | 88.4 | Confident | 50 Ų | 50 | 96.3 Ų | 96.3 | 26% | 0.262 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 177 | -78.2 | 172 | 0 | 0 | 0 | 111.2 | M56 L58 P91 Y92 E96 L97 V98 | M56-L94 WeakPolarHBondContact O-CD1 3.4Å; M56-L94 WeakPolarHBondContact O-CG 3.46Å; L58-L94 HydrophobicContact CD2-CD2 3.73Å; L58-L94 HydrophobicContact CG-CD2 4.44Å; P91-L94 PolarHBondContact O-N 2.9Å; P91-L94 VanDerWaalsContact O-N 3.11Å; Y92-L94 PolarHBondContact O-N 3.32Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.09Å; L94-L97 PolarHBondContact O-N 3.5Å; L94-V98 WeakPolarHBondContact O-CB 3.45Å; L94-V98 VanDerWaalsContact O-CG2 3.23Å; L94-V98 WeakPolarHBondContact O-CG2 3.43Å; L94-V98 PolarHBondContact O-N 3.11Å |
| 95 | N | 94.9 | Very high | 89.8 | Confident | 109 Ų | 109 | 99.5 Ų | 99.5 | 58% | 0.583 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.7 | -42.5 | -179.6 | -64.6 | -9.7 | 0 | 0 | 0 | 111.3 | P91 Y92 V98 A99 | P91-N95 PolarHBondContact O-N 2.99Å; Y92-N95 PolarHBondContact O-N 3.26Å; N95-V98 PolarHBondContact O-N 2.92Å; N95-A99 VanDerWaalsContact O-CB 3.26Å; N95-A99 WeakPolarHBondContact O-CB 3.49Å; N95-A99 PolarHBondContact O-N 3.21Å |
| 96 | E | 96.4 | Very high | 91 | Very high | 87 Ų | 87 | 100.4 Ų | 100.4 | 41% | 0.407 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 175.5 | -71.5 | 169 | -163.5 | 0 | 0 | 112 | Q38 Y92 L94 A99 E100 | Q38-E96 HydrophobicContact CG-CB 4.02Å; Q38-E96 VanDerWaalsContact CG-OE2 3.3Å; Q38-E96 WeakPolarHBondContact CG-OE2 3.41Å; Y92-E96 WeakPolarHBondContact O-CG 3.3Å; Y92-E96 PolarHBondContact O-N 3.24Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.09Å; E96-A99 PolarHBondContact O-N 3.24Å; E96-E100 WeakPolarHBondContact O-CB 3.32Å; E96-E100 PolarHBondContact O-N 3.25Å |
| 97 | L | 95.3 | Very high | 91.5 | Very high | 39 Ų | 39 | 97.6 Ų | 97.6 | 20% | 0.204 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 178 | -72.1 | 173.1 | 0 | 0 | 0 | 112.2 | Q38 I39 V93 L94 E100 A101 | Q38-L97 HydrophobicContact CB-CD2 4.45Å; I39-L97 HydrophobicContact CD1-CD1 4.33Å; I39-L97 HydrophobicContact CG1-CD1 4.3Å; V93-L97 HydrophobicContact CG1-CD1 4.08Å; V93-L97 WeakPolarHBondContact O-CB 3.26Å; V93-L97 VanDerWaalsContact O-CG 3.23Å; V93-L97 WeakPolarHBondContact O-CG 3.37Å; V93-L97 PolarHBondContact O-N 3.27Å; L94-L97 PolarHBondContact O-N 3.5Å; L97-E100 PolarHBondContact O-N 3.09Å; L97-A101 VanDerWaalsContact O-CB 3.28Å; L97-A101 WeakPolarHBondContact O-CB 3.28Å; L97-A101 PolarHBondContact O-N 3.42Å |
| 98 | V | 95.4 | Very high | 91.8 | Very high | 77 Ų | 77 | 94.7 Ų | 94.7 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 176.2 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | L94 N95 A101 N102 | L94-V98 WeakPolarHBondContact O-CB 3.45Å; L94-V98 VanDerWaalsContact O-CG2 3.23Å; L94-V98 WeakPolarHBondContact O-CG2 3.43Å; L94-V98 PolarHBondContact O-N 3.11Å; N95-V98 PolarHBondContact O-N 2.92Å; V98-A101 PolarHBondContact O-N 3.4Å; V98-N102 WeakPolarHBondContact CG1-ND2 3.29Å; V98-N102 VanDerWaalsContact O-CB 3.3Å; V98-N102 WeakPolarHBondContact O-CB 3.44Å; V98-N102 PolarHBondContact O-N 3.29Å; V98-N102 PolarHBondContact O-ND2 2.92Å; V98-N102 VanDerWaalsContact O-ND2 3.11Å |
| 99 | A | 95.5 | Very high | 91.6 | Very high | 59 Ų | 59 | 98.8 Ų | 98.8 | 49% | 0.488 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N95 E96 N102 L103 | N95-A99 VanDerWaalsContact O-CB 3.26Å; N95-A99 WeakPolarHBondContact O-CB 3.49Å; N95-A99 PolarHBondContact O-N 3.21Å; E96-A99 PolarHBondContact O-N 3.24Å; A99-N102 PolarHBondContact O-N 3.38Å; A99-L103 PolarHBondContact O-N 3.04Å |
| 100 | E | 94.4 | Very high | 91.4 | Very high | 108 Ų | 108 | 97 Ų | 97 | 51% | 0.505 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 175.7 | -174.9 | 178.7 | -161.8 | 0 | 0 | 111.9 | Q38 E96 L97 N102 L103 | Q38-E100 PolarHBondContact NE2-OE2 2.98Å; E96-E100 WeakPolarHBondContact O-CB 3.32Å; E96-E100 PolarHBondContact O-N 3.25Å; L97-E100 PolarHBondContact O-N 3.09Å; E100-N102 VanDerWaalsContact C-N 3.28Å; E100-N102 PolarHBondContact O-N 2.88Å; E100-L103 VanDerWaalsContact O-CB 3.29Å; E100-L103 WeakPolarHBondContact O-CB 3.28Å; E100-L103 WeakPolarHBondContact O-CG 3.36Å; E100-L103 PolarHBondContact O-N 2.89Å; E100-L103 VanDerWaalsContact O-N 3.14Å |
| 101 | A | 93.9 | Very high | 91.3 | Very high | 81 Ų | 81 | 95.8 Ų | 95.8 | 67% | 0.669 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.4 | -27.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L97 V98 L103 | L97-A101 VanDerWaalsContact O-CB 3.28Å; L97-A101 WeakPolarHBondContact O-CB 3.28Å; L97-A101 PolarHBondContact O-N 3.42Å; V98-A101 PolarHBondContact O-N 3.4Å; A101-L103 VanDerWaalsContact C-N 3.25Å; A101-L103 PolarHBondContact O-N 2.76Å |
| 102 | N | 95.6 | Very high | 91.3 | Very high | 122 Ų | 122 | 96 Ų | 96 | 65% | 0.652 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -5.8 | 176 | -74 | -27.6 | 0 | 0 | 0 | 113.1 | V98 A99 E100 | V98-N102 WeakPolarHBondContact CG1-ND2 3.29Å; V98-N102 VanDerWaalsContact O-CB 3.3Å; V98-N102 WeakPolarHBondContact O-CB 3.44Å; V98-N102 PolarHBondContact O-N 3.29Å; V98-N102 PolarHBondContact O-ND2 2.92Å; V98-N102 VanDerWaalsContact O-ND2 3.11Å; A99-N102 PolarHBondContact O-N 3.38Å; E100-N102 VanDerWaalsContact C-N 3.28Å; E100-N102 PolarHBondContact O-N 2.88Å |
| 103 | L | 93.7 | Very high | 91.2 | Very high | 119 Ų | 119 | 95.9 Ų | 95.9 | 62% | 0.623 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -64.5 | 130 | 174.5 | -66.7 | 174.4 | 0 | 0 | 0 | 109.3 | A99 E100 A101 E105 | A99-L103 PolarHBondContact O-N 3.04Å; E100-L103 VanDerWaalsContact O-CB 3.29Å; E100-L103 WeakPolarHBondContact O-CB 3.28Å; E100-L103 WeakPolarHBondContact O-CG 3.36Å; E100-L103 PolarHBondContact O-N 2.89Å; E100-L103 VanDerWaalsContact O-N 3.14Å; A101-L103 VanDerWaalsContact C-N 3.25Å; A101-L103 PolarHBondContact O-N 2.76Å; L103-E105 PolarHBondContact O-N 3.19Å |
| 104 | P | 91.6 | Very high | 91.1 | Very high | 121 Ų | 121 | 101.5 Ų | 101.5 | 79% | 0.786 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 127.3 | 177.5 | 27.2 | -33.2 | 0 | 0 | 0 | 109.7 | ||
| 105 | E | 86.2 | Confident | 91.1 | Very high | 186 Ų | 186 | 100.5 Ų | 100.5 | 87% | 0.869 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 143.5 | 170.3 | -67.7 | -175.1 | 178.2 | 0 | 0 | 110.1 | L103 D107 | L103-E105 PolarHBondContact O-N 3.19Å; E105-D107 PolarHBondContact O-N 3.25Å |
| 106 | K | 82.6 | Confident | 91.1 | Very high | 192 Ų | 192 | 96.3 Ų | 96.3 | 84% | 0.835 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -73 | 122.8 | 173.8 | -65.9 | -177.2 | 179.4 | -177.5 | 0 | 108.9 | T108 | K106-T108 PolarHBondContact O-N 3.2Š|
| 107 | D | 79.3 | Confident | 91.1 | Very high | 116 Ų | 116 | 98.2 Ų | 98.2 | 62% | 0.62 | 54% | 0.541 | S | S | * | . | trans | -66.5 | 104.2 | 169.6 | -88.7 | -26 | 0 | 0 | 0 | 109 | E105 K109 | E105-D107 PolarHBondContact O-N 3.25Å; D107-K109 VanDerWaalsContact C-N 3.26Å | ||
| 108 | T | 82.9 | Confident | 91.1 | Very high | 123 Ų | 123 | 97.8 Ų | 97.8 | 76% | 0.755 | 54% | 0.537 | S | S | * | . | trans | -88.5 | 9.1 | 176.3 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | K106 T110 | K106-T108 PolarHBondContact O-N 3.2Å; T108-T110 PolarHBondContact O-N 3.11Å | ||
| 109 | K | 82.6 | Confident | 91 | Very high | 129 Ų | 129 | 94.1 Ų | 94.1 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | trans | -73.7 | 114.9 | -175.9 | -66.1 | 173.7 | -173.9 | 161.4 | 0 | 109.7 | D107 C158 | D107-K109 VanDerWaalsContact C-N 3.26Å; K109-C158 PolarHBondContact O-SG 2.88Å | ||
| 110 | T | 88.3 | Confident | 91 | Very high | 108 Ų | 108 | 93.2 Ų | 93.2 | 66% | 0.663 | 50% | 0.501 | S | S | * | . | trans | -111.6 | 170.2 | 174.7 | 55 | 0 | 0 | 0 | 0 | 111 | T108 | T108-T110 PolarHBondContact O-N 3.11Š| ||
| 111 | L | 90.3 | Very high | 91 | Very high | 22 Ų | 22 | 92.2 Ų | 92.2 | 12% | 0.115 | 49% | 0.493 | C | S | . | . | trans | -114.9 | 155.2 | 172.9 | -67.1 | 177.4 | 0 | 0 | 0 | 111 | L115 I116 Q154 Y155 C158 | L111-L115 HydrophobicContact CB-CD2 4.39Å; L111-L115 HydrophobicContact CD1-CD2 4.15Å; L111-L115 HydrophobicContact CD2-CD2 3.64Å; L111-L115 HydrophobicContact CG-CD2 4.28Å; L111-I116 HydrophobicContact CB-CD1 4.26Å; L111-I116 HydrophobicContact CB-CG1 4.1Å; L111-Q154 HydrophobicContact CD1-CG 4.21Å; L111-Q154 VanDerWaalsContact CD2-CD 3.4Å; L111-Q154 HydrophobicContact CD2-CG 3.58Å; L111-Q154 HydrophobicContact CG-CG 4.38Å; L111-Y155 VanDerWaalsContact CD1-CA 3.41Å; L111-Y155 HydrophobicContact CD1-CD2 4.2Å; L111-C158 HydrophobicContact CD1-CB 4.13Å; L111-C158 HydrophobicContact CG-CB 3.93Å | ||
| 112 | S | 93.5 | Very high | 91.1 | Very high | 71 Ų | 71 | 88.3 Ų | 88.3 | 50% | 0.497 | 46% | 0.461 | S | S | . | . | trans | -66.4 | 147.7 | 169.6 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | D114 L115 I116 | S112-D114 VanDerWaalsContact C-N 3.29Å; S112-D114 PolarHBondContact O-N 3.34Å; S112-L115 PolarHBondContact O-N 3.43Å; S112-L115 WeakPolarHBondContact OG-CB 3.45Å; S112-I116 WeakPolarHBondContact O-CG1 3.38Å; S112-I116 PolarHBondContact O-N 2.95Å | ||
| 113 | T | 93.8 | Very high | 91 | Very high | 95 Ų | 95 | 83.2 Ų | 83.2 | 58% | 0.583 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -54.6 | -45.5 | 175.7 | 46.5 | 0 | 0 | 0 | 0 | 111.5 | L115 I116 E117 | T113-L115 VanDerWaalsContact C-N 3.27Å; T113-L115 PolarHBondContact O-N 3.49Å; T113-I116 WeakPolarHBondContact O-CA 3.39Å; T113-I116 WeakPolarHBondContact O-CB 3.5Å; T113-I116 PolarHBondContact O-N 3.49Å; T113-E117 WeakPolarHBondContact O-CG 3.3Å; T113-E117 PolarHBondContact O-N 3.45Å |
| 114 | D | 94 | Very high | 91.1 | Very high | 117 Ų | 117 | 83.7 Ų | 83.7 | 63% | 0.626 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.5 | -36.4 | -178.5 | -60.3 | 14.2 | 0 | 0 | 0 | 112.5 | S112 Y118 | S112-D114 VanDerWaalsContact C-N 3.29Å; S112-D114 PolarHBondContact O-N 3.34Å; D114-Y118 VanDerWaalsContact O-CB 3.28Å; D114-Y118 WeakPolarHBondContact O-CB 3.37Å; D114-Y118 PolarHBondContact O-N 2.95Å |
| 115 | L | 93.7 | Very high | 91.2 | Very high | 30 Ų | 30 | 83.7 Ų | 83.7 | 16% | 0.157 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -70.2 | -38.8 | 177.8 | -177.7 | 64.6 | 0 | 0 | 0 | 110.8 | L111 S112 T113 V119 K151 | L111-L115 HydrophobicContact CB-CD2 4.39Å; L111-L115 HydrophobicContact CD1-CD2 4.15Å; L111-L115 HydrophobicContact CD2-CD2 3.64Å; L111-L115 HydrophobicContact CG-CD2 4.28Å; S112-L115 PolarHBondContact O-N 3.43Å; S112-L115 WeakPolarHBondContact OG-CB 3.45Å; T113-L115 VanDerWaalsContact C-N 3.27Å; T113-L115 PolarHBondContact O-N 3.49Å; L115-V119 WeakPolarHBondContact O-CB 3.26Å; L115-V119 VanDerWaalsContact O-CG2 3.29Å; L115-V119 WeakPolarHBondContact O-CG2 3.4Å; L115-V119 PolarHBondContact O-N 3.32Å; L115-K151 HydrophobicContact CD1-CB 4.16Å; L115-K151 HydrophobicContact CD1-CD 3.75Å; L115-K151 HydrophobicContact CD1-CG 3.95Å |
| 116 | I | 95.1 | Very high | 91.5 | Very high | 20 Ų | 20 | 76.9 Ų | 76.9 | 10% | 0.103 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.3 | -48.7 | 176.5 | -63.4 | 168.1 | 0 | 0 | 0 | 109.6 | L111 S112 T113 Y118 V119 Q120 Y155 | L111-I116 HydrophobicContact CB-CD1 4.26Å; L111-I116 HydrophobicContact CB-CG1 4.1Å; S112-I116 WeakPolarHBondContact O-CG1 3.38Å; S112-I116 PolarHBondContact O-N 2.95Å; T113-I116 WeakPolarHBondContact O-CA 3.39Å; T113-I116 WeakPolarHBondContact O-CB 3.5Å; T113-I116 PolarHBondContact O-N 3.49Å; I116-Y118 PolarHBondContact O-N 3.4Å; I116-V119 PolarHBondContact O-N 2.92Å; I116-Q120 HydrophobicContact CG2-CG 4.27Å; I116-Q120 WeakPolarHBondContact O-CB 3.29Å; I116-Q120 VanDerWaalsContact O-CG 3.32Å; I116-Q120 WeakPolarHBondContact O-CG 3.35Å; I116-Q120 PolarHBondContact O-N 3.5Å; I116-Y155 HydrophobicContact CB-CE2 4.29Å; I116-Y155 HydrophobicContact CD1-CE2 4.31Å; I116-Y155 HydrophobicContact CG1-CD2 3.92Å; I116-Y155 HydrophobicContact CG1-CE2 3.89Å; I116-Y155 HydrophobicContact CG2-CD2 4.31Å; I116-Y155 HydrophobicContact CG2-CE1 4.48Å; I116-Y155 HydrophobicContact CG2-CE2 3.61Å |
| 117 | E | 94.9 | Very high | 91.8 | Very high | 127 Ų | 127 | 71.4 Ų | 71.4 | 59% | 0.593 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.4 | -44.3 | 178 | -71.1 | 179.8 | -170.5 | 0 | 0 | 112.1 | T113 V119 Q120 Y121 | T113-E117 WeakPolarHBondContact O-CG 3.3Å; T113-E117 PolarHBondContact O-N 3.45Å; E117-V119 PolarHBondContact O-N 3.49Å; E117-Q120 PolarHBondContact O-N 3.37Å; E117-Y121 WeakPolarHBondContact O-CB 3.23Å; E117-Y121 PolarHBondContact O-N 3.1Å |
| 118 | Y | 95.2 | Very high | 92.3 | Very high | 30 Ų | 30 | 72.4 Ų | 72.4 | 12% | 0.118 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.2 | -48 | 174.6 | 170 | -95.9 | 0 | 0 | 0 | 111.7 | D114 I116 Y121 M122 K138 N139 K151 | D114-Y118 VanDerWaalsContact O-CB 3.28Å; D114-Y118 WeakPolarHBondContact O-CB 3.37Å; D114-Y118 PolarHBondContact O-N 2.95Å; I116-Y118 PolarHBondContact O-N 3.4Å; Y118-Y121 PolarHBondContact O-N 2.84Å; Y118-M122 HydrophobicContact CD2-CE 4.17Å; Y118-M122 HydrophobicContact CE1-CG 4.17Å; Y118-M122 HydrophobicContact CE2-CE 3.35Å; Y118-M122 HydrophobicContact CE2-CG 4.19Å; Y118-M122 VanDerWaalsContact O-CG 3.32Å; Y118-M122 WeakPolarHBondContact O-CG 3.28Å; Y118-M122 PolarHBondContact O-N 3.04Å; Y118-K138 HydrophobicContact CD2-CG 4.41Å; Y118-N139 PolarHBondContact OH-OD1 3.07Å; Y118-K151 HydrophobicContact CD1-CD 4.47Å; Y118-K151 HydrophobicContact CE1-CD 4.06Å |
| 119 | V | 94.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 179.7 | 166 | 0 | 0 | 0 | 0 | 111.3 | L115 I116 E117 Y121 M122 I123 K151 V152 Y155 | L115-V119 WeakPolarHBondContact O-CB 3.26Å; L115-V119 VanDerWaalsContact O-CG2 3.29Å; L115-V119 WeakPolarHBondContact O-CG2 3.4Å; L115-V119 PolarHBondContact O-N 3.32Å; I116-V119 PolarHBondContact O-N 2.92Å; E117-V119 PolarHBondContact O-N 3.49Å; V119-Y121 VanDerWaalsContact C-N 3.33Å; V119-Y121 PolarHBondContact O-N 2.92Å; V119-M122 PolarHBondContact O-N 3.14Å; V119-I123 HydrophobicContact CG1-CD1 3.68Å; V119-I123 HydrophobicContact CG1-CG1 4.39Å; V119-I123 VanDerWaalsContact O-CG1 3.28Å; V119-I123 WeakPolarHBondContact O-CG1 3.31Å; V119-I123 PolarHBondContact O-N 3.05Å; V119-K151 HydrophobicContact CG2-CB 4.06Å; V119-V152 HydrophobicContact CG1-CB 4.46Å; V119-V152 HydrophobicContact CG1-CG2 3.92Å; V119-V152 HydrophobicContact CG2-CG2 4.47Å; V119-Y155 HydrophobicContact CB-CD1 4.49Å; V119-Y155 HydrophobicContact CG1-CD1 3.68Å; V119-Y155 HydrophobicContact CG1-CE1 4.48Å; V119-Y155 HydrophobicContact CG1-CG 4.29Å |
| 120 | Q | 94.8 | Very high | 93.5 | Very high | 40 Ų | 40 | 66.5 Ų | 66.5 | 19% | 0.187 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61 | -42.6 | 177.4 | -75.1 | -179.4 | 0.1 | 0 | 0 | 111.5 | I116 E117 I123 R124 Y155 F166 | I116-Q120 HydrophobicContact CG2-CG 4.27Å; I116-Q120 WeakPolarHBondContact O-CB 3.29Å; I116-Q120 VanDerWaalsContact O-CG 3.32Å; I116-Q120 WeakPolarHBondContact O-CG 3.35Å; I116-Q120 PolarHBondContact O-N 3.5Å; E117-Q120 PolarHBondContact O-N 3.37Å; Q120-I123 PolarHBondContact O-N 2.84Å; Q120-R124 WeakPolarHBondContact O-CB 3.43Å; Q120-R124 WeakPolarHBondContact O-CG 3.3Å; Q120-R124 PolarHBondContact O-N 3.32Å; Q120-Y155 HydrophobicContact CG-CE1 4.26Å; Q120-Y155 PolarHBondContact NE2-OH 3.18Å; Q120-Y155 VanDerWaalsContact NE2-OH 3.09Å; Q120-F166 HydrophobicContact CB-CD2 4.37Å; Q120-F166 HydrophobicContact CB-CE2 3.74Å; Q120-F166 HydrophobicContact CB-CZ 3.84Å; Q120-F166 HydrophobicContact CG-CD1 4.42Å; Q120-F166 HydrophobicContact CG-CD2 3.94Å; Q120-F166 HydrophobicContact CG-CE1 4.33Å; Q120-F166 HydrophobicContact CG-CE2 3.81Å; Q120-F166 HydrophobicContact CG-CG 4.23Å; Q120-F166 HydrophobicContact CG-CZ 4.03Å; Q120-F166 WeakPolarHBondContact O-CZ 3.39Å |
| 121 | Y | 95.3 | Very high | 93.8 | Very high | 86 Ų | 86 | 68.3 Ų | 68.3 | 34% | 0.337 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.6 | -50 | 174.3 | 175.1 | -99.3 | 0 | 0 | 0 | 111.7 | E117 Y118 V119 I123 R124 E125 D136 K138 | E117-Y121 WeakPolarHBondContact O-CB 3.23Å; E117-Y121 PolarHBondContact O-N 3.1Å; Y118-Y121 PolarHBondContact O-N 2.84Å; V119-Y121 VanDerWaalsContact C-N 3.33Å; V119-Y121 PolarHBondContact O-N 2.92Å; Y121-I123 VanDerWaalsContact C-N 3.28Å; Y121-I123 PolarHBondContact O-N 2.78Å; Y121-R124 WeakPolarHBondContact O-CB 3.35Å; Y121-R124 PolarHBondContact O-N 3.06Å; Y121-R124 VanDerWaalsContact O-N 3.14Å; Y121-E125 HydrophobicContact CD2-CG 4.26Å; Y121-E125 HydrophobicContact CE1-CG 4.33Å; Y121-E125 HydrophobicContact CE2-CG 3.74Å; Y121-E125 PolarHBondContact O-N 3.45Å; Y121-E125 VanDerWaalsContact O-N 3.1Å; Y121-D136 WeakPolarHBondContact CE1-OD1 3.37Å; Y121-K138 HydrophobicContact CD1-CB 3.88Å; Y121-K138 HydrophobicContact CD1-CG 3.85Å; Y121-K138 HydrophobicContact CE1-CB 3.5Å; Y121-K138 VanDerWaalsContact CE1-CB 3.5Å; Y121-K138 HydrophobicContact CE1-CG 3.92Å |
| 122 | M | 94.4 | Very high | 94 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.5 | -39.6 | -179.9 | -72.6 | -64.1 | 173.2 | 0 | 0 | 112.4 | Y118 V119 H126 M133 D136 K138 N139 | Y118-M122 HydrophobicContact CD2-CE 4.17Å; Y118-M122 HydrophobicContact CE1-CG 4.17Å; Y118-M122 HydrophobicContact CE2-CE 3.35Å; Y118-M122 HydrophobicContact CE2-CG 4.19Å; Y118-M122 VanDerWaalsContact O-CG 3.32Å; Y118-M122 WeakPolarHBondContact O-CG 3.28Å; Y118-M122 PolarHBondContact O-N 3.04Å; V119-M122 PolarHBondContact O-N 3.14Å; M122-H126 WeakPolarHBondContact O-CB 3.48Å; M122-H126 PolarHBondContact O-N 3.26Å; M122-M133 HydrophobicContact CB-CE 4.17Å; M122-M133 HydrophobicContact CB-CG 4.08Å; M122-M133 HydrophobicContact CB-SD 4.05Å; M122-M133 WeakPolarHBondContact O-CE 3.5Å; M122-M133 HydrophobicContact SD-CB 3.85Å; M122-M133 HydrophobicContact SD-CG 4.06Å; M122-D136 HydrophobicContact CE-CB 3.92Å; M122-D136 HydrophobicContact SD-CB 4.05Å; M122-K138 HydrophobicContact CE-CB 3.94Å; M122-N139 HydrophobicContact CE-CB 4.06Å |
| 123 | I | 94.8 | Very high | 94.1 | Very high | 15 Ų | 15 | 65.1 Ų | 65.1 | 8% | 0.077 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -72.7 | -35.5 | 178.8 | -64.3 | 171.9 | 0 | 0 | 0 | 111.6 | V119 Q120 Y121 S127 M133 V152 Y163 F166 L170 | V119-I123 HydrophobicContact CG1-CD1 3.68Å; V119-I123 HydrophobicContact CG1-CG1 4.39Å; V119-I123 VanDerWaalsContact O-CG1 3.28Å; V119-I123 WeakPolarHBondContact O-CG1 3.31Å; V119-I123 PolarHBondContact O-N 3.05Å; Q120-I123 PolarHBondContact O-N 2.84Å; Y121-I123 VanDerWaalsContact C-N 3.28Å; Y121-I123 PolarHBondContact O-N 2.78Å; I123-S127 VanDerWaalsContact O-CA 3.23Å; I123-S127 WeakPolarHBondContact O-CA 3.23Å; I123-S127 PolarHBondContact O-N 3.34Å; I123-M133 HydrophobicContact CG1-CE 4.4Å; I123-V152 HydrophobicContact CD1-CG1 4.12Å; I123-V152 HydrophobicContact CD1-CG2 4.37Å; I123-Y163 HydrophobicContact CD1-CE2 3.73Å; I123-F166 HydrophobicContact CB-CE1 3.95Å; I123-F166 HydrophobicContact CB-CZ 4.24Å; I123-F166 HydrophobicContact CD1-CE1 4.4Å; I123-F166 HydrophobicContact CG2-CE1 3.72Å; I123-F166 HydrophobicContact CG2-CZ 4.27Å; I123-L170 HydrophobicContact CG2-CD1 4.11Å |
| 124 | R | 94.2 | Very high | 94.2 | Very high | 129 Ų | 129 | 62 Ų | 62 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.7 | -49.6 | 175 | -81.8 | 176.1 | -176.4 | 159 | 12.2 | 111.8 | Q120 Y121 F166 L170 | Q120-R124 WeakPolarHBondContact O-CB 3.43Å; Q120-R124 WeakPolarHBondContact O-CG 3.3Å; Q120-R124 PolarHBondContact O-N 3.32Å; Y121-R124 WeakPolarHBondContact O-CB 3.35Å; Y121-R124 PolarHBondContact O-N 3.06Å; Y121-R124 VanDerWaalsContact O-N 3.14Å; R124-F166 HydrophobicContact CG-CE2 3.97Å; R124-F166 HydrophobicContact CG-CZ 3.87Å; R124-L170 HydrophobicContact CG-CD1 4.45Å; R124-L170 HydrophobicContact CG-CD2 3.76Å |
| 125 | E | 94.1 | Very high | 94.3 | Very high | 121 Ų | 121 | 66.1 Ų | 66.1 | 57% | 0.565 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -82.6 | -44.3 | -173.7 | -62.1 | -56.4 | 135.9 | 0 | 0 | 112.7 | Y121 | Y121-E125 HydrophobicContact CD2-CG 4.26Å; Y121-E125 HydrophobicContact CE1-CG 4.33Å; Y121-E125 HydrophobicContact CE2-CG 3.74Å; Y121-E125 PolarHBondContact O-N 3.45Å; Y121-E125 VanDerWaalsContact O-N 3.1Å |
| 126 | H | 92.6 | Very high | 94.4 | Very high | 42 Ų | 42 | 66 Ų | 66 | 19% | 0.194 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -113.9 | 1 | -167.8 | -59.2 | -71.1 | 0 | 0 | 0 | 114.1 | M122 E128 N129 A132 M133 D136 | M122-H126 WeakPolarHBondContact O-CB 3.48Å; M122-H126 PolarHBondContact O-N 3.26Å; H126-E128 PolarHBondContact O-N 3.05Å; H126-N129 WeakPolarHBondContact O-CB 3.48Å; H126-N129 PolarHBondContact O-N 2.65Å; H126-A132 HydrophobicContact CB-CB 4.32Å; H126-M133 HydrophobicContact CB-CE 4.19Å; H126-M133 HydrophobicContact CB-CG 3.56Å; H126-D136 IonicContact CD2-OD2 3.71Å; H126-D136 IonicContact CE1-OD2 3.82Å; H126-D136 IonicContact NE2-OD2 3.09Å; H126-D136 PolarHBondContact NE2-OD2 3.44Å |
| 127 | S | 89.5 | Confident | 94.3 | Very high | 78 Ų | 78 | 74.1 Ų | 74.1 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | -113.8 | 179.7 | 67.2 | 0 | 0 | 0 | 0 | 113.7 | I123 M133 | I123-S127 VanDerWaalsContact O-CA 3.23Å; I123-S127 WeakPolarHBondContact O-CA 3.23Å; I123-S127 PolarHBondContact O-N 3.34Å; S127-M133 WeakPolarHBondContact O-CE 3.46Å |
| 128 | E | 89.3 | Confident | 94.1 | Very high | 136 Ų | 136 | 74.3 Ų | 74.3 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 11.2 | 176 | -62.4 | -170 | 160.3 | 0 | 0 | 112.8 | H126 Y130 | H126-E128 PolarHBondContact O-N 3.05Å; E128-Y130 WeakPolarHBondContact O-CD2 3.47Å; E128-Y130 WeakPolarHBondContact O-CE2 3.34Å; E128-Y130 PolarHBondContact O-N 3.27Å; E128-Y130 VanDerWaalsContact O-N 3.1Å |
| 129 | N | 95.3 | Very high | 94.1 | Very high | 85 Ų | 85 | 73.4 Ų | 73.4 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | trans | -86.2 | 81.8 | -179.5 | -167.7 | -9.7 | 0 | 0 | 0 | 112.2 | H126 K131 A132 M133 | H126-N129 WeakPolarHBondContact O-CB 3.48Å; H126-N129 PolarHBondContact O-N 2.65Å; N129-K131 PolarHBondContact O-N 3.11Å; N129-K131 VanDerWaalsContact O-N 3.12Å; N129-K131 PolarHBondContact OD1-N 2.81Å; N129-A132 HydrophobicContact CB-CB 4.14Å; N129-A132 WeakPolarHBondContact O-CB 3.2Å; N129-A132 PolarHBondContact O-N 2.98Å; N129-A132 PolarHBondContact OD1-N 2.96Å; N129-M133 PolarHBondContact O-N 3.16Å; N129-M133 VanDerWaalsContact O-N 3.11Å | ||
| 130 | Y | 94.9 | Very high | 94.1 | Very high | 44 Ų | 44 | 82.2 Ų | 82.2 | 17% | 0.173 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.8 | -23.6 | -179.4 | -54.2 | -69 | 0 | 0 | 0 | 114.6 | E128 M133 A134 I148 R149 V152 | E128-Y130 WeakPolarHBondContact O-CD2 3.47Å; E128-Y130 WeakPolarHBondContact O-CE2 3.34Å; E128-Y130 PolarHBondContact O-N 3.27Å; E128-Y130 VanDerWaalsContact O-N 3.1Å; Y130-M133 HydrophobicContact CD1-CE 4.4Å; Y130-M133 HydrophobicContact CD1-SD 3.61Å; Y130-M133 HydrophobicContact CE1-SD 4.17Å; Y130-M133 HydrophobicContact CG-SD 4.47Å; Y130-A134 PolarHBondContact O-N 3.47Å; Y130-I148 HydrophobicContact CD1-CG2 4.31Å; Y130-R149 HydrophobicContact CD1-CB 4Å; Y130-R149 HydrophobicContact CD2-CB 4.42Å; Y130-R149 HydrophobicContact CE1-CB 3.91Å; Y130-R149 HydrophobicContact CE1-CG 4.19Å; Y130-R149 HydrophobicContact CE2-CB 4.32Å; Y130-R149 HydrophobicContact CE2-CG 4.11Å; Y130-R149 HydrophobicContact CG-CB 4.25Å; Y130-V152 HydrophobicContact CE1-CG2 4.22Å |
| 131 | K | 95.9 | Very high | 94 | Very high | 145 Ų | 145 | 89.2 Ų | 89.2 | 63% | 0.63 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -74.4 | -28.6 | 175.9 | -71.9 | -177.9 | -180 | 177.1 | 0 | 112.2 | N129 R135 P145 | N129-K131 PolarHBondContact O-N 3.11Å; N129-K131 VanDerWaalsContact O-N 3.12Å; N129-K131 PolarHBondContact OD1-N 2.81Å; K131-R135 PolarHBondContact O-NH1 3.34Å; K131-P145 HydrophobicContact CG-CG 4.46Å |
| 132 | A | 95 | Very high | 93.9 | Very high | 27 Ų | 27 | 93 Ų | 93 | 22% | 0.223 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -77.5 | -44.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | H126 N129 A134 R135 D136 | H126-A132 HydrophobicContact CB-CB 4.32Å; N129-A132 HydrophobicContact CB-CB 4.14Å; N129-A132 WeakPolarHBondContact O-CB 3.2Å; N129-A132 PolarHBondContact O-N 2.98Å; N129-A132 PolarHBondContact OD1-N 2.96Å; A132-A134 PolarHBondContact O-N 3.05Å; A132-R135 WeakPolarHBondContact O-CA 3.28Å; A132-R135 PolarHBondContact O-N 2.8Å; A132-D136 PolarHBondContact O-N 3.33Å |
| 133 | M | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 94 Ų | 94 | 0% | 0 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -54.5 | -38.4 | 175.3 | -64.1 | 173.1 | 177.8 | 0 | 0 | 113.2 | M122 I123 H126 S127 N129 Y130 R135 D136 I148 | M122-M133 HydrophobicContact CB-CE 4.17Å; M122-M133 HydrophobicContact CB-CG 4.08Å; M122-M133 HydrophobicContact CB-SD 4.05Å; M122-M133 WeakPolarHBondContact O-CE 3.5Å; M122-M133 HydrophobicContact SD-CB 3.85Å; M122-M133 HydrophobicContact SD-CG 4.06Å; I123-M133 HydrophobicContact CG1-CE 4.4Å; H126-M133 HydrophobicContact CB-CE 4.19Å; H126-M133 HydrophobicContact CB-CG 3.56Å; S127-M133 WeakPolarHBondContact O-CE 3.46Å; N129-M133 PolarHBondContact O-N 3.16Å; N129-M133 VanDerWaalsContact O-N 3.11Å; Y130-M133 HydrophobicContact CD1-CE 4.4Å; Y130-M133 HydrophobicContact CD1-SD 3.61Å; Y130-M133 HydrophobicContact CE1-SD 4.17Å; Y130-M133 HydrophobicContact CG-SD 4.47Å; M133-R135 PolarHBondContact O-N 3.1Å; M133-D136 VanDerWaalsContact O-CB 3.26Å; M133-D136 WeakPolarHBondContact O-CB 3.45Å; M133-D136 PolarHBondContact O-N 2.7Å; M133-I148 HydrophobicContact CB-CD1 3.82Å; M133-I148 HydrophobicContact CB-CG2 4.13Å; M133-I148 HydrophobicContact SD-CG2 3.59Å; M133-I148 VanDerWaalsContact SD-CG2 3.59Å |
| 134 | A | 95.9 | Very high | 94.1 | Very high | 28 Ų | 28 | 96.3 Ų | 96.3 | 23% | 0.231 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -25.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y130 A132 N139 P145 I148 | Y130-A134 PolarHBondContact O-N 3.47Å; A132-A134 PolarHBondContact O-N 3.05Å; A134-N139 WeakPolarHBondContact CA-ND2 3.43Å; A134-N139 PolarHBondContact O-ND2 3.1Å; A134-P145 HydrophobicContact CB-CG 3.77Å; A134-I148 HydrophobicContact CB-CD1 4.1Å |
| 135 | R | 94.9 | Very high | 94.2 | Very high | 205 Ų | 205 | 92.6 Ų | 92.6 | 77% | 0.774 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -5.1 | 177.8 | -66.8 | -174.3 | 173.5 | 89.5 | -5.7 | 113.2 | K131 A132 M133 | K131-R135 PolarHBondContact O-NH1 3.34Å; A132-R135 WeakPolarHBondContact O-CA 3.28Å; A132-R135 PolarHBondContact O-N 2.8Å; M133-R135 PolarHBondContact O-N 3.1Å |
| 136 | D | 95.8 | Very high | 94.4 | Very high | 27 Ų | 27 | 90.1 Ų | 90.1 | 14% | 0.144 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -69.1 | 147.1 | -178 | -173.4 | -91.6 | 0 | 0 | 0 | 111.8 | Y121 M122 H126 A132 M133 K138 N139 | Y121-D136 WeakPolarHBondContact CE1-OD1 3.37Å; M122-D136 HydrophobicContact CE-CB 3.92Å; M122-D136 HydrophobicContact SD-CB 4.05Å; H126-D136 IonicContact CD2-OD2 3.71Å; H126-D136 IonicContact CE1-OD2 3.82Å; H126-D136 IonicContact NE2-OD2 3.09Å; H126-D136 PolarHBondContact NE2-OD2 3.44Å; A132-D136 PolarHBondContact O-N 3.33Å; M133-D136 VanDerWaalsContact O-CB 3.26Å; M133-D136 WeakPolarHBondContact O-CB 3.45Å; M133-D136 PolarHBondContact O-N 2.7Å; D136-K138 VanDerWaalsContact C-N 3.27Å; D136-K138 PolarHBondContact O-N 3.2Å; D136-K138 WeakPolarHBondContact OD1-CA 3.36Å; D136-K138 WeakPolarHBondContact OD1-CB 3.36Å; D136-K138 PolarHBondContact OD1-N 3.47Å; D136-N139 VanDerWaalsContact O-CB 3.3Å; D136-N139 WeakPolarHBondContact O-CB 3.27Å; D136-N139 PolarHBondContact O-N 3.02Å; D136-N139 VanDerWaalsContact O-N 3.13Å |
| 137 | E | 93.4 | Very high | 94.6 | Very high | 191 Ų | 191 | 92 Ų | 92 | 89% | 0.893 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -30.8 | -177.9 | -61.5 | -177.8 | 176.5 | 0 | 0 | 112.8 | N139 | E137-N139 PolarHBondContact O-N 2.68Š|
| 138 | K | 91.8 | Very high | 94.8 | Very high | 131 Ų | 131 | 88.3 Ų | 88.3 | 57% | 0.57 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -13.9 | 178.5 | -162.4 | 66.1 | 175.1 | -178 | 0 | 112.1 | Y118 Y121 M122 D136 Y140 | Y118-K138 HydrophobicContact CD2-CG 4.41Å; Y121-K138 HydrophobicContact CD1-CB 3.88Å; Y121-K138 HydrophobicContact CD1-CG 3.85Å; Y121-K138 HydrophobicContact CE1-CB 3.5Å; Y121-K138 VanDerWaalsContact CE1-CB 3.5Å; Y121-K138 HydrophobicContact CE1-CG 3.92Å; M122-K138 HydrophobicContact CE-CB 3.94Å; D136-K138 VanDerWaalsContact C-N 3.27Å; D136-K138 PolarHBondContact O-N 3.2Å; D136-K138 WeakPolarHBondContact OD1-CA 3.36Å; D136-K138 WeakPolarHBondContact OD1-CB 3.36Å; D136-K138 PolarHBondContact OD1-N 3.47Å; K138-Y140 PolarHBondContact O-N 3.38Å |
| 139 | N | 94.8 | Very high | 95.2 | Very high | 10 Ų | 10 | 88.4 Ų | 88.4 | 5% | 0.053 | 41% | 0.41 | C | S | . | . | trans | -76.2 | 60.2 | 172.1 | -170.6 | 25.7 | 0 | 0 | 0 | 112.2 | Y118 M122 A134 D136 E137 Y141 Q142 D143 | Y118-N139 PolarHBondContact OH-OD1 3.07Å; M122-N139 HydrophobicContact CE-CB 4.06Å; A134-N139 WeakPolarHBondContact CA-ND2 3.43Å; A134-N139 PolarHBondContact O-ND2 3.1Å; D136-N139 VanDerWaalsContact O-CB 3.3Å; D136-N139 WeakPolarHBondContact O-CB 3.27Å; D136-N139 PolarHBondContact O-N 3.02Å; D136-N139 VanDerWaalsContact O-N 3.13Å; E137-N139 PolarHBondContact O-N 2.68Å; N139-Y141 VanDerWaalsContact C-N 3.3Å; N139-Y141 PolarHBondContact O-N 3.23Å; N139-Q142 PolarHBondContact O-N 2.88Å; N139-D143 PolarHBondContact ND2-N 3.44Å; N139-D143 VanDerWaalsContact ND2-N 3.14Å; N139-D143 PolarHBondContact ND2-O 2.98Å; N139-D143 WeakPolarHBondContact OD1-CB 3.46Å; N139-D143 PolarHBondContact OD1-N 3.38Å | ||
| 140 | Y | 93.8 | Very high | 95.2 | Very high | 187 Ų | 187 | 93 Ų | 93 | 73% | 0.733 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -40.1 | -174.8 | 179.4 | -99.7 | 0 | 0 | 0 | 113.5 | K138 Q142 | K138-Y140 PolarHBondContact O-N 3.38Å; Y140-Q142 PolarHBondContact O-N 3.47Å |
| 141 | Y | 92.8 | Very high | 95.2 | Very high | 187 Ų | 187 | 93.2 Ų | 93.2 | 73% | 0.733 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 6.8 | -179.7 | -62.8 | -68.1 | 0 | 0 | 0 | 113.8 | N139 D143 | N139-Y141 VanDerWaalsContact C-N 3.3Å; N139-Y141 PolarHBondContact O-N 3.23Å; Y141-D143 VanDerWaalsContact C-N 3.3Å; Y141-D143 PolarHBondContact O-N 3.12Å |
| 142 | Q | 94.4 | Very high | 95.2 | Very high | 166 Ų | 166 | 86.4 Ų | 86.4 | 78% | 0.776 | 39% | 0.393 | S | S | * | . | trans | 57.5 | 42.5 | 175.5 | -53.9 | 176.8 | -21 | 0 | 0 | 112.3 | N139 Y140 T144 | N139-Q142 PolarHBondContact O-N 2.88Å; Y140-Q142 PolarHBondContact O-N 3.47Å; Q142-T144 PolarHBondContact O-N 3.48Å | ||
| 143 | D | 95.8 | Very high | 95.2 | Very high | 21 Ų | 21 | 88.4 Ų | 88.4 | 11% | 0.112 | 40% | 0.4 | C | S | . | . | trans | -60 | 135.8 | 177.9 | -70.9 | -57.6 | 0 | 0 | 0 | 110.7 | N139 Y141 Q147 I148 K151 | N139-D143 PolarHBondContact ND2-N 3.44Å; N139-D143 VanDerWaalsContact ND2-N 3.14Å; N139-D143 PolarHBondContact ND2-O 2.98Å; N139-D143 WeakPolarHBondContact OD1-CB 3.46Å; N139-D143 PolarHBondContact OD1-N 3.38Å; Y141-D143 VanDerWaalsContact C-N 3.3Å; Y141-D143 PolarHBondContact O-N 3.12Å; D143-Q147 HydrophobicContact CB-CB 4.17Å; D143-I148 HydrophobicContact CB-CD1 4.19Å; D143-I148 HydrophobicContact CB-CG1 3.62Å; D143-K151 IonicContact OD1-NZ 3.66Å; D143-K151 IonicContact OD2-NZ 2.73Å; D143-K151 PolarHBondContact OD2-NZ 3.31Å | ||
| 144 | T | 97.1 | Very high | 95.1 | Very high | 63 Ų | 63 | 92.9 Ų | 92.9 | 39% | 0.387 | 42% | 0.421 | S | S | . | . | trans | -68.3 | 155 | 173.2 | 62.9 | 0 | 0 | 0 | 0 | 110.7 | Q142 S146 Q147 I148 | Q142-T144 PolarHBondContact O-N 3.48Å; T144-S146 PolarHBondContact O-N 3.18Å; T144-S146 PolarHBondContact OG1-OG 2.95Å; T144-Q147 WeakPolarHBondContact O-CB 3.28Å; T144-Q147 PolarHBondContact O-N 3.43Å; T144-Q147 VanDerWaalsContact OG1-CD 3.3Å; T144-Q147 WeakPolarHBondContact OG1-CG 3.31Å; T144-Q147 PolarHBondContact OG1-N 3.25Å; T144-Q147 PolarHBondContact OG1-OE1 3.48Å; T144-I148 PolarHBondContact O-N 3.25Å | ||
| 145 | P | 97 | Very high | 95.1 | Very high | 50 Ų | 50 | 91.6 Ų | 91.6 | 33% | 0.325 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -52.1 | -33.4 | 178.4 | -28.9 | 35 | 0 | 0 | 0 | 114.1 | K131 A134 R149 | K131-P145 HydrophobicContact CG-CG 4.46Å; A134-P145 HydrophobicContact CB-CG 3.77Å; P145-R149 WeakPolarHBondContact O-CB 3.33Å; P145-R149 PolarHBondContact O-N 3.29Å |
| 146 | S | 97.1 | Very high | 95 | Very high | 69 Ų | 69 | 85 Ų | 85 | 48% | 0.483 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -73.7 | -34.4 | 178.2 | 66 | 0 | 0 | 0 | 0 | 112.8 | T144 R150 | T144-S146 PolarHBondContact O-N 3.18Å; T144-S146 PolarHBondContact OG1-OG 2.95Å; S146-R150 WeakPolarHBondContact O-CG 3.46Å; S146-R150 PolarHBondContact O-N 3.25Å |
| 147 | Q | 96.4 | Very high | 94.8 | Very high | 82 Ų | 82 | 92 Ų | 92 | 38% | 0.383 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 174.1 | -74.2 | 164.2 | -44.9 | 0 | 0 | 111 | D143 T144 R149 R150 K151 | D143-Q147 HydrophobicContact CB-CB 4.17Å; T144-Q147 WeakPolarHBondContact O-CB 3.28Å; T144-Q147 PolarHBondContact O-N 3.43Å; T144-Q147 VanDerWaalsContact OG1-CD 3.3Å; T144-Q147 WeakPolarHBondContact OG1-CG 3.31Å; T144-Q147 PolarHBondContact OG1-N 3.25Å; T144-Q147 PolarHBondContact OG1-OE1 3.48Å; Q147-R149 VanDerWaalsContact C-N 3.32Å; Q147-R149 PolarHBondContact O-N 3.03Å; Q147-R150 WeakPolarHBondContact O-CB 3.47Å; Q147-R150 PolarHBondContact O-N 3.02Å; Q147-R150 VanDerWaalsContact O-N 3.14Å; Q147-K151 WeakPolarHBondContact O-CG 3.35Å; Q147-K151 PolarHBondContact O-N 2.85Å |
| 148 | I | 95.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 175.3 | -59.4 | 177 | 0 | 0 | 0 | 110.2 | Y130 M133 A134 D143 T144 R150 K151 V152 | Y130-I148 HydrophobicContact CD1-CG2 4.31Å; M133-I148 HydrophobicContact CB-CD1 3.82Å; M133-I148 HydrophobicContact CB-CG2 4.13Å; M133-I148 HydrophobicContact SD-CG2 3.59Å; M133-I148 VanDerWaalsContact SD-CG2 3.59Å; A134-I148 HydrophobicContact CB-CD1 4.1Å; D143-I148 HydrophobicContact CB-CD1 4.19Å; D143-I148 HydrophobicContact CB-CG1 3.62Å; T144-I148 PolarHBondContact O-N 3.25Å; I148-R150 VanDerWaalsContact C-N 3.33Å; I148-R150 PolarHBondContact O-N 3.42Å; I148-K151 WeakPolarHBondContact O-CB 3.44Å; I148-K151 PolarHBondContact O-N 3.48Å; I148-K151 VanDerWaalsContact O-N 3.11Å; I148-V152 WeakPolarHBondContact O-CG2 3.28Å; I148-V152 PolarHBondContact O-N 3.08Å |
| 149 | R | 96.1 | Very high | 94.7 | Very high | 139 Ų | 139 | 79.6 Ų | 79.6 | 53% | 0.525 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.6 | -45.5 | 173.7 | -178.2 | 176.9 | 175.6 | 178.4 | 4.4 | 112.3 | Y130 P145 Q147 K151 V152 D153 | Y130-R149 HydrophobicContact CD1-CB 4Å; Y130-R149 HydrophobicContact CD2-CB 4.42Å; Y130-R149 HydrophobicContact CE1-CB 3.91Å; Y130-R149 HydrophobicContact CE1-CG 4.19Å; Y130-R149 HydrophobicContact CE2-CB 4.32Å; Y130-R149 HydrophobicContact CE2-CG 4.11Å; Y130-R149 HydrophobicContact CG-CB 4.25Å; P145-R149 WeakPolarHBondContact O-CB 3.33Å; P145-R149 PolarHBondContact O-N 3.29Å; Q147-R149 VanDerWaalsContact C-N 3.32Å; Q147-R149 PolarHBondContact O-N 3.03Å; R149-K151 VanDerWaalsContact C-N 3.31Å; R149-K151 PolarHBondContact O-N 3.21Å; R149-V152 WeakPolarHBondContact O-CB 3.34Å; R149-V152 PolarHBondContact O-N 2.93Å; R149-D153 IonicContact NE-OD2 3.79Å; R149-D153 VanDerWaalsContact O-CG 3.3Å; R149-D153 PolarHBondContact O-N 3.07Å |
| 150 | R | 96.3 | Very high | 94.6 | Very high | 181 Ų | 181 | 82 Ų | 82 | 68% | 0.683 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.4 | -38.8 | 176.2 | -74.6 | 172.7 | -179.5 | -178.8 | 1.3 | 112.4 | S146 Q147 I148 D153 Q154 | S146-R150 WeakPolarHBondContact O-CG 3.46Å; S146-R150 PolarHBondContact O-N 3.25Å; Q147-R150 WeakPolarHBondContact O-CB 3.47Å; Q147-R150 PolarHBondContact O-N 3.02Å; Q147-R150 VanDerWaalsContact O-N 3.14Å; I148-R150 VanDerWaalsContact C-N 3.33Å; I148-R150 PolarHBondContact O-N 3.42Å; R150-D153 PolarHBondContact O-N 3.48Å; R150-Q154 VanDerWaalsContact O-CB 3.28Å; R150-Q154 WeakPolarHBondContact O-CB 3.4Å; R150-Q154 PolarHBondContact O-N 2.88Å |
| 151 | K | 95.3 | Very high | 94.6 | Very high | 49 Ų | 49 | 79.8 Ų | 79.8 | 21% | 0.213 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 175.3 | -69.7 | 177.1 | 175.3 | -172.7 | 0 | 111.6 | L115 Y118 V119 D143 Q147 I148 R149 Q154 Y155 | L115-K151 HydrophobicContact CD1-CB 4.16Å; L115-K151 HydrophobicContact CD1-CD 3.75Å; L115-K151 HydrophobicContact CD1-CG 3.95Å; Y118-K151 HydrophobicContact CD1-CD 4.47Å; Y118-K151 HydrophobicContact CE1-CD 4.06Å; V119-K151 HydrophobicContact CG2-CB 4.06Å; D143-K151 IonicContact OD1-NZ 3.66Å; D143-K151 IonicContact OD2-NZ 2.73Å; D143-K151 PolarHBondContact OD2-NZ 3.31Å; Q147-K151 WeakPolarHBondContact O-CG 3.35Å; Q147-K151 PolarHBondContact O-N 2.85Å; I148-K151 WeakPolarHBondContact O-CB 3.44Å; I148-K151 PolarHBondContact O-N 3.48Å; I148-K151 VanDerWaalsContact O-N 3.11Å; R149-K151 VanDerWaalsContact C-N 3.31Å; R149-K151 PolarHBondContact O-N 3.21Å; K151-Q154 PolarHBondContact O-N 3.34Å; K151-Y155 PolarHBondContact O-N 3.5Å |
| 152 | V | 94.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.012 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63 | -47.1 | 174.3 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | V119 I123 Y130 I148 R149 Q154 Y155 K156 | V119-V152 HydrophobicContact CG1-CB 4.46Å; V119-V152 HydrophobicContact CG1-CG2 3.92Å; V119-V152 HydrophobicContact CG2-CG2 4.47Å; I123-V152 HydrophobicContact CD1-CG1 4.12Å; I123-V152 HydrophobicContact CD1-CG2 4.37Å; Y130-V152 HydrophobicContact CE1-CG2 4.22Å; I148-V152 WeakPolarHBondContact O-CG2 3.28Å; I148-V152 PolarHBondContact O-N 3.08Å; R149-V152 WeakPolarHBondContact O-CB 3.34Å; R149-V152 PolarHBondContact O-N 2.93Å; V152-Q154 VanDerWaalsContact C-N 3.28Å; V152-Q154 PolarHBondContact O-N 3.06Å; V152-Y155 WeakPolarHBondContact O-CB 3.36Å; V152-Y155 PolarHBondContact O-N 2.93Å; V152-Y155 VanDerWaalsContact O-N 3.15Å; V152-K156 HydrophobicContact CG1-CD 4.42Å; V152-K156 WeakPolarHBondContact O-CG 3.12Å; V152-K156 PolarHBondContact O-N 3.47Å |
| 153 | D | 94.8 | Very high | 94.5 | Very high | 69 Ų | 69 | 68.5 Ų | 68.5 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.8 | -34.9 | 179.1 | -67.7 | -23.1 | 0 | 0 | 0 | 111.5 | R149 R150 K156 R157 | R149-D153 IonicContact NE-OD2 3.79Å; R149-D153 VanDerWaalsContact O-CG 3.3Å; R149-D153 PolarHBondContact O-N 3.07Å; R150-D153 PolarHBondContact O-N 3.48Å; D153-K156 PolarHBondContact O-N 3.06Å; D153-R157 WeakPolarHBondContact O-CB 2.89Å; D153-R157 PolarHBondContact O-N 3.41Å |
| 154 | Q | 94.4 | Very high | 94.4 | Very high | 94 Ų | 94 | 71.2 Ų | 71.2 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 173.3 | -167.3 | 177.4 | 0.7 | 0 | 0 | 111.2 | L111 R150 K151 V152 R157 C158 | L111-Q154 HydrophobicContact CD1-CG 4.21Å; L111-Q154 VanDerWaalsContact CD2-CD 3.4Å; L111-Q154 HydrophobicContact CD2-CG 3.58Å; L111-Q154 HydrophobicContact CG-CG 4.38Å; R150-Q154 VanDerWaalsContact O-CB 3.28Å; R150-Q154 WeakPolarHBondContact O-CB 3.4Å; R150-Q154 PolarHBondContact O-N 2.88Å; K151-Q154 PolarHBondContact O-N 3.34Å; V152-Q154 VanDerWaalsContact C-N 3.28Å; V152-Q154 PolarHBondContact O-N 3.06Å; Q154-R157 PolarHBondContact O-N 2.97Å; Q154-C158 WeakPolarHBondContact O-CB 3.48Å; Q154-C158 PolarHBondContact O-N 3.08Å |
| 155 | Y | 94.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 175.1 | 179.5 | -135.6 | 0 | 0 | 0 | 112.1 | L111 I116 V119 Q120 K151 V152 R157 C158 H159 E162 Y163 | L111-Y155 VanDerWaalsContact CD1-CA 3.41Å; L111-Y155 HydrophobicContact CD1-CD2 4.2Å; I116-Y155 HydrophobicContact CB-CE2 4.29Å; I116-Y155 HydrophobicContact CD1-CE2 4.31Å; I116-Y155 HydrophobicContact CG1-CD2 3.92Å; I116-Y155 HydrophobicContact CG1-CE2 3.89Å; I116-Y155 HydrophobicContact CG2-CD2 4.31Å; I116-Y155 HydrophobicContact CG2-CE1 4.48Å; I116-Y155 HydrophobicContact CG2-CE2 3.61Å; V119-Y155 HydrophobicContact CB-CD1 4.49Å; V119-Y155 HydrophobicContact CG1-CD1 3.68Å; V119-Y155 HydrophobicContact CG1-CE1 4.48Å; V119-Y155 HydrophobicContact CG1-CG 4.29Å; Q120-Y155 HydrophobicContact CG-CE1 4.26Å; Q120-Y155 PolarHBondContact NE2-OH 3.18Å; Q120-Y155 VanDerWaalsContact NE2-OH 3.09Å; K151-Y155 PolarHBondContact O-N 3.5Å; V152-Y155 WeakPolarHBondContact O-CB 3.36Å; V152-Y155 PolarHBondContact O-N 2.93Å; V152-Y155 VanDerWaalsContact O-N 3.15Å; Y155-R157 VanDerWaalsContact C-N 3.26Å; Y155-R157 PolarHBondContact O-N 2.96Å; Y155-C158 PolarHBondContact O-N 2.98Å; Y155-H159 HydrophobicContact CD2-CB 4.05Å; Y155-H159 HydrophobicContact CE2-CB 3.76Å; Y155-H159 PolarHBondContact O-N 3.26Å; Y155-E162 HydrophobicContact CE2-CB 4.42Å; Y155-Y163 AromaticContact CD1-CD2 3.59Å; Y155-Y163 HydrophobicContact CD1-CD2 3.59Å; Y155-Y163 HydrophobicContact CD1-CE2 4.39Å; Y155-Y163 HydrophobicContact CD1-CG 4.43Å; Y155-Y163 AromaticContact CE1-CD2 3.55Å; Y155-Y163 HydrophobicContact CE1-CD2 3.55Å; Y155-Y163 HydrophobicContact CE1-CG 4.29Å |
| 156 | K | 93.1 | Very high | 94.1 | Very high | 66 Ų | 66 | 69.5 Ų | 69.5 | 29% | 0.287 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57 | -38.6 | 174.8 | -69.6 | 175.1 | 176.5 | -179.4 | 0 | 112.9 | V152 D153 Y163 | V152-K156 HydrophobicContact CG1-CD 4.42Å; V152-K156 WeakPolarHBondContact O-CG 3.12Å; V152-K156 PolarHBondContact O-N 3.47Å; D153-K156 PolarHBondContact O-N 3.06Å; K156-Y163 HydrophobicContact CD-CE1 4.17Å; K156-Y163 WeakPolarHBondContact CE-OH 3.38Å; K156-Y163 HydrophobicContact CG-CD1 3.87Å; K156-Y163 HydrophobicContact CG-CD2 4.12Å; K156-Y163 HydrophobicContact CG-CE1 3.86Å; K156-Y163 HydrophobicContact CG-CE2 4.11Å; K156-Y163 HydrophobicContact CG-CG 4Å |
| 157 | R | 92.1 | Very high | 93.8 | Very high | 176 Ų | 176 | 67.8 Ų | 67.8 | 66% | 0.664 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -74.3 | -42.7 | -178.8 | -176.7 | 177.4 | 178.8 | 158.1 | 4.4 | 112.7 | D153 Q154 Y155 | D153-R157 WeakPolarHBondContact O-CB 2.89Å; D153-R157 PolarHBondContact O-N 3.41Å; Q154-R157 PolarHBondContact O-N 2.97Å; Y155-R157 VanDerWaalsContact C-N 3.26Å; Y155-R157 PolarHBondContact O-N 2.96Å |
| 158 | C | 92 | Very high | 93.6 | Very high | 28 Ų | 28 | 68.5 Ų | 68.5 | 19% | 0.189 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -78.5 | -40.8 | -176.6 | -74.9 | 0 | 0 | 0 | 0 | 112.4 | K109 L111 Q154 Y155 | K109-C158 PolarHBondContact O-SG 2.88Å; L111-C158 HydrophobicContact CD1-CB 4.13Å; L111-C158 HydrophobicContact CG-CB 3.93Å; Q154-C158 WeakPolarHBondContact O-CB 3.48Å; Q154-C158 PolarHBondContact O-N 3.08Å; Y155-C158 PolarHBondContact O-N 2.98Å |
| 159 | H | 91.5 | Very high | 93.4 | Very high | 33 Ų | 33 | 73.8 Ų | 73.8 | 15% | 0.153 | 34% | 0.338 | C | S | . | . | trans | -132.4 | 67 | -172.5 | -59.6 | -56.7 | 0 | 0 | 0 | 111.5 | Y155 E161 E162 Y163 | Y155-H159 HydrophobicContact CD2-CB 4.05Å; Y155-H159 HydrophobicContact CE2-CB 3.76Å; Y155-H159 PolarHBondContact O-N 3.26Å; H159-E161 VanDerWaalsContact C-N 3.34Å; H159-E161 PolarHBondContact O-N 3.23Å; H159-E162 HydrophobicContact CB-CB 4.05Å; H159-E162 HydrophobicContact CB-CG 4.13Å; H159-E162 IonicContact CD2-OE2 3.7Å; H159-E162 IonicContact CG-OE2 3.87Å; H159-Y163 WeakPolarHBondContact O-CB 2.97Å; H159-Y163 PolarHBondContact O-N 3.34Å | ||
| 160 | P | 92.2 | Very high | 93.1 | Very high | 60 Ų | 60 | 70.8 Ų | 70.8 | 39% | 0.39 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | -177 | 24.3 | -33.3 | 0 | 0 | 0 | 112.5 | Y163 N164 | P160-Y163 PolarHBondContact O-N 2.95Å; P160-N164 WeakPolarHBondContact O-CB 3.44Å; P160-N164 PolarHBondContact O-N 2.93Å; P160-N164 PolarHBondContact O-ND2 3.11Å |
| 161 | E | 92.5 | Very high | 92.5 | Very high | 141 Ų | 141 | 70.4 Ų | 70.4 | 66% | 0.659 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.7 | -46.9 | -179.7 | -55.8 | -58.5 | 161 | 0 | 0 | 112 | H159 Y163 N164 T165 | H159-E161 VanDerWaalsContact C-N 3.34Å; H159-E161 PolarHBondContact O-N 3.23Å; E161-Y163 VanDerWaalsContact C-N 3.31Å; E161-Y163 PolarHBondContact O-N 3.47Å; E161-N164 PolarHBondContact O-N 2.85Å; E161-T165 WeakPolarHBondContact O-CG2 3.35Å; E161-T165 PolarHBondContact O-N 3.08Å; E161-T165 PolarHBondContact O-OG1 2.98Å |
| 162 | E | 92.2 | Very high | 91.7 | Very high | 84 Ų | 84 | 71.3 Ų | 71.3 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 175.8 | -59.9 | -177.1 | 178.2 | 0 | 0 | 111.7 | Y155 H159 T165 F166 | Y155-E162 HydrophobicContact CE2-CB 4.42Å; H159-E162 HydrophobicContact CB-CB 4.05Å; H159-E162 HydrophobicContact CB-CG 4.13Å; H159-E162 IonicContact CD2-OE2 3.7Å; H159-E162 IonicContact CG-OE2 3.87Å; E162-T165 WeakPolarHBondContact CA-OG1 3.36Å; E162-T165 PolarHBondContact O-OG1 3.45Å; E162-F166 VanDerWaalsContact O-CB 3.24Å; E162-F166 WeakPolarHBondContact O-CB 3.26Å; E162-F166 PolarHBondContact O-N 3.18Å |
| 163 | Y | 93.2 | Very high | 89.9 | Confident | 31 Ų | 31 | 72.8 Ų | 72.8 | 12% | 0.122 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 176.6 | -179.7 | -100.2 | 0 | 0 | 0 | 111.9 | I123 Y155 K156 H159 P160 E161 F166 V167 | I123-Y163 HydrophobicContact CD1-CE2 3.73Å; Y155-Y163 AromaticContact CD1-CD2 3.59Å; Y155-Y163 HydrophobicContact CD1-CD2 3.59Å; Y155-Y163 HydrophobicContact CD1-CE2 4.39Å; Y155-Y163 HydrophobicContact CD1-CG 4.43Å; Y155-Y163 AromaticContact CE1-CD2 3.55Å; Y155-Y163 HydrophobicContact CE1-CD2 3.55Å; Y155-Y163 HydrophobicContact CE1-CG 4.29Å; K156-Y163 HydrophobicContact CD-CE1 4.17Å; K156-Y163 WeakPolarHBondContact CE-OH 3.38Å; K156-Y163 HydrophobicContact CG-CD1 3.87Å; K156-Y163 HydrophobicContact CG-CD2 4.12Å; K156-Y163 HydrophobicContact CG-CE1 3.86Å; K156-Y163 HydrophobicContact CG-CE2 4.11Å; K156-Y163 HydrophobicContact CG-CG 4Å; H159-Y163 WeakPolarHBondContact O-CB 2.97Å; H159-Y163 PolarHBondContact O-N 3.34Å; P160-Y163 PolarHBondContact O-N 2.95Å; E161-Y163 VanDerWaalsContact C-N 3.31Å; E161-Y163 PolarHBondContact O-N 3.47Å; Y163-F166 WeakPolarHBondContact O-CB 3.44Å; Y163-F166 PolarHBondContact O-N 3.41Å; Y163-V167 HydrophobicContact CD1-CG2 4.15Å; Y163-V167 HydrophobicContact CD2-CG2 4.45Å; Y163-V167 HydrophobicContact CE1-CG2 3.64Å; Y163-V167 HydrophobicContact CE2-CG2 3.98Å; Y163-V167 WeakPolarHBondContact O-CG2 3.47Å; Y163-V167 PolarHBondContact O-N 3.26Å |
| 164 | N | 93.4 | Very high | 87.8 | Confident | 79 Ų | 79 | 78.6 Ų | 78.6 | 42% | 0.422 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.7 | -49 | -179.5 | -71.2 | -21.1 | 0 | 0 | 0 | 111.3 | P160 E161 F166 V167 E168 | P160-N164 WeakPolarHBondContact O-CB 3.44Å; P160-N164 PolarHBondContact O-N 2.93Å; P160-N164 PolarHBondContact O-ND2 3.11Å; E161-N164 PolarHBondContact O-N 2.85Å; N164-F166 VanDerWaalsContact C-N 3.28Å; N164-F166 PolarHBondContact O-N 3.48Å; N164-V167 PolarHBondContact O-N 2.97Å; N164-V167 VanDerWaalsContact O-N 3.14Å; N164-E168 WeakPolarHBondContact O-CG 3.47Å; N164-E168 PolarHBondContact O-N 3.35Å |
| 165 | T | 94.4 | Very high | 85.8 | Confident | 66 Ų | 66 | 78.5 Ų | 78.5 | 41% | 0.405 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57.2 | -41.4 | 175.5 | 52.2 | 0 | 0 | 0 | 0 | 112 | E161 E162 E168 F169 | E161-T165 WeakPolarHBondContact O-CG2 3.35Å; E161-T165 PolarHBondContact O-N 3.08Å; E161-T165 PolarHBondContact O-OG1 2.98Å; E162-T165 WeakPolarHBondContact CA-OG1 3.36Å; E162-T165 PolarHBondContact O-OG1 3.45Å; T165-E168 PolarHBondContact O-N 3.2Å; T165-F169 WeakPolarHBondContact O-CB 3.48Å; T165-F169 PolarHBondContact O-N 2.98Å |
| 166 | F | 93.4 | Very high | 83.9 | Confident | 11 Ų | 11 | 83.5 Ų | 83.5 | 5% | 0.048 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63 | -45.2 | 174.8 | 167.4 | -101.8 | 0 | 0 | 0 | 112.8 | Q120 I123 R124 E162 Y163 N164 F169 L170 | Q120-F166 HydrophobicContact CB-CD2 4.37Å; Q120-F166 HydrophobicContact CB-CE2 3.74Å; Q120-F166 HydrophobicContact CB-CZ 3.84Å; Q120-F166 HydrophobicContact CG-CD1 4.42Å; Q120-F166 HydrophobicContact CG-CD2 3.94Å; Q120-F166 HydrophobicContact CG-CE1 4.33Å; Q120-F166 HydrophobicContact CG-CE2 3.81Å; Q120-F166 HydrophobicContact CG-CG 4.23Å; Q120-F166 HydrophobicContact CG-CZ 4.03Å; Q120-F166 WeakPolarHBondContact O-CZ 3.39Å; I123-F166 HydrophobicContact CB-CE1 3.95Å; I123-F166 HydrophobicContact CB-CZ 4.24Å; I123-F166 HydrophobicContact CD1-CE1 4.4Å; I123-F166 HydrophobicContact CG2-CE1 3.72Å; I123-F166 HydrophobicContact CG2-CZ 4.27Å; R124-F166 HydrophobicContact CG-CE2 3.97Å; R124-F166 HydrophobicContact CG-CZ 3.87Å; E162-F166 VanDerWaalsContact O-CB 3.24Å; E162-F166 WeakPolarHBondContact O-CB 3.26Å; E162-F166 PolarHBondContact O-N 3.18Å; Y163-F166 WeakPolarHBondContact O-CB 3.44Å; Y163-F166 PolarHBondContact O-N 3.41Å; N164-F166 VanDerWaalsContact C-N 3.28Å; N164-F166 PolarHBondContact O-N 3.48Å; F166-F169 WeakPolarHBondContact O-CB 3.11Å; F166-F169 PolarHBondContact O-N 2.88Å; F166-L170 HydrophobicContact CD1-CD1 4.43Å; F166-L170 HydrophobicContact CE1-CD1 3.73Å; F166-L170 HydrophobicContact CE1-CG 4.48Å; F166-L170 HydrophobicContact CE2-CD1 4.28Å; F166-L170 HydrophobicContact CE2-CD2 4.38Å; F166-L170 HydrophobicContact CE2-CG 4.38Å; F166-L170 HydrophobicContact CZ-CD1 3.64Å; F166-L170 HydrophobicContact CZ-CD2 4.46Å; F166-L170 HydrophobicContact CZ-CG 4.22Å; F166-L170 WeakPolarHBondContact O-CG 3.34Å; F166-L170 PolarHBondContact O-N 3.03Å; F166-L170 VanDerWaalsContact O-N 3.09Å |
| 167 | V | 91.7 | Very high | 81.6 | Confident | 32 Ų | 32 | 85.8 Ų | 85.8 | 19% | 0.194 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.4 | -38.2 | 178 | 171 | 0 | 0 | 0 | 0 | 111.6 | Y163 N164 L170 K171 | Y163-V167 HydrophobicContact CD1-CG2 4.15Å; Y163-V167 HydrophobicContact CD2-CG2 4.45Å; Y163-V167 HydrophobicContact CE1-CG2 3.64Å; Y163-V167 HydrophobicContact CE2-CG2 3.98Å; Y163-V167 WeakPolarHBondContact O-CG2 3.47Å; Y163-V167 PolarHBondContact O-N 3.26Å; N164-V167 PolarHBondContact O-N 2.97Å; N164-V167 VanDerWaalsContact O-N 3.14Å; V167-L170 PolarHBondContact O-N 2.94Å; V167-K171 HydrophobicContact CG1-CD 4.33Å; V167-K171 WeakPolarHBondContact O-CG 3.26Å; V167-K171 PolarHBondContact O-N 3.01Å; V167-K171 VanDerWaalsContact O-N 3.13Å |
| 168 | E | 92.6 | Very high | 79.1 | Confident | 98 Ų | 98 | 87.2 Ų | 87.2 | 46% | 0.458 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 173.6 | -73.8 | -179.4 | 171.8 | 0 | 0 | 111.7 | N164 T165 L170 K171 G172 G173 | N164-E168 WeakPolarHBondContact O-CG 3.47Å; N164-E168 PolarHBondContact O-N 3.35Å; T165-E168 PolarHBondContact O-N 3.2Å; E168-L170 VanDerWaalsContact C-N 3.31Å; E168-L170 PolarHBondContact O-N 3.39Å; E168-K171 PolarHBondContact O-N 3.35Å; E168-K171 VanDerWaalsContact O-N 3.09Å; E168-G172 PolarHBondContact O-N 2.76Å; E168-G173 WeakPolarHBondContact O-CA 3.39Å; E168-G173 PolarHBondContact O-N 3.1Å |
| 169 | F | 91.3 | Very high | 78.5 | Confident | 110 Ų | 110 | 90.2 Ų | 90.2 | 48% | 0.482 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.4 | -43.2 | 174.1 | 175.7 | -96.8 | 0 | 0 | 0 | 111.8 | T165 F166 K171 G172 | T165-F169 WeakPolarHBondContact O-CB 3.48Å; T165-F169 PolarHBondContact O-N 2.98Å; F166-F169 WeakPolarHBondContact O-CB 3.11Å; F166-F169 PolarHBondContact O-N 2.88Å; F169-K171 VanDerWaalsContact C-N 3.29Å; F169-K171 PolarHBondContact O-N 3.31Å; F169-G172 PolarHBondContact O-N 3.01Å; F169-G172 VanDerWaalsContact O-N 3.15Å |
| 170 | L | 88.6 | Confident | 77.8 | Confident | 76 Ų | 76 | 93.2 Ų | 93.2 | 40% | 0.398 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.2 | -30.4 | 176.4 | -63.2 | -177.4 | 0 | 0 | 0 | 113.3 | I123 R124 F166 V167 E168 G172 | I123-L170 HydrophobicContact CG2-CD1 4.11Å; R124-L170 HydrophobicContact CG-CD1 4.45Å; R124-L170 HydrophobicContact CG-CD2 3.76Å; F166-L170 HydrophobicContact CD1-CD1 4.43Å; F166-L170 HydrophobicContact CE1-CD1 3.73Å; F166-L170 HydrophobicContact CE1-CG 4.48Å; F166-L170 HydrophobicContact CE2-CD1 4.28Å; F166-L170 HydrophobicContact CE2-CD2 4.38Å; F166-L170 HydrophobicContact CE2-CG 4.38Å; F166-L170 HydrophobicContact CZ-CD1 3.64Å; F166-L170 HydrophobicContact CZ-CD2 4.46Å; F166-L170 HydrophobicContact CZ-CG 4.22Å; F166-L170 WeakPolarHBondContact O-CG 3.34Å; F166-L170 PolarHBondContact O-N 3.03Å; F166-L170 VanDerWaalsContact O-N 3.09Å; V167-L170 PolarHBondContact O-N 2.94Å; E168-L170 VanDerWaalsContact C-N 3.31Å; E168-L170 PolarHBondContact O-N 3.39Å; L170-G172 PolarHBondContact O-N 3.4Å |
| 171 | K | 85.3 | Confident | 77 | Confident | 173 Ų | 173 | 95.1 Ų | 95.1 | 75% | 0.752 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 2.1 | 176.2 | -69.7 | 174.7 | -178.8 | 176.7 | 0 | 113.2 | V167 E168 F169 | V167-K171 HydrophobicContact CG1-CD 4.33Å; V167-K171 WeakPolarHBondContact O-CG 3.26Å; V167-K171 PolarHBondContact O-N 3.01Å; V167-K171 VanDerWaalsContact O-N 3.13Å; E168-K171 PolarHBondContact O-N 3.35Å; E168-K171 VanDerWaalsContact O-N 3.09Å; F169-K171 VanDerWaalsContact C-N 3.29Å; F169-K171 PolarHBondContact O-N 3.31Å |
| 172 | G | 78.1 | Confident | 76.1 | Confident | 68 Ų | 68 | 92.4 Ų | 92.4 | 70% | 0.701 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | 10.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E168 F169 L170 | E168-G172 PolarHBondContact O-N 2.76Å; F169-G172 PolarHBondContact O-N 3.01Å; F169-G172 VanDerWaalsContact O-N 3.15Å; L170-G172 PolarHBondContact O-N 3.4Å |
| 173 | G | 57.2 | Low | 75.1 | Confident | 33 Ų | 33 | 92.9 Ų | 92.9 | 34% | 0.34 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 128.6 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | E168 | E168-G173 WeakPolarHBondContact O-CA 3.39Å; E168-G173 PolarHBondContact O-N 3.1Å |
| 174 | K | 50.9 | Low | 73.8 | Confident | 191 Ų | 191 | 97 Ų | 97 | 83% | 0.83 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 136 | 169.6 | -75.3 | -179.4 | 177.2 | 178.7 | 0 | 108.7 | V176 | K174-V176 PolarHBondContact O-N 2.59Š|
| 175 | P | 52.1 | Low | 72.5 | Confident | 92 Ų | 92 | 98.3 Ų | 98.3 | 60% | 0.597 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 124 | 178.8 | 24.8 | -32 | 0 | 0 | 0 | 109.1 | S177 | P175-S177 PolarHBondContact O-N 3.39Š|
| 176 | V | 55.2 | Low | 70.8 | Confident | 106 Ų | 106 | 100.8 Ų | 100.8 | 64% | 0.642 | 58% | 0.577 | S | S | * | * | trans | -69 | 102.3 | 172.8 | -179.2 | 0 | 0 | 0 | 0 | 106.8 | K174 T178 | K174-V176 PolarHBondContact O-N 2.59Å; V176-T178 PolarHBondContact O-N 3.48Å | ||
| 177 | S | 43.2 | Very low | 68.9 | Low | 114 Ų | 114 | 108.3 Ų | 108.3 | 80% | 0.797 | 62% | 0.621 | S | S | * | * | trans | -68.2 | 106.4 | 171.9 | 55.6 | 0 | 0 | 0 | 0 | 109 | P175 | P175-S177 PolarHBondContact O-N 3.39Š| ||
| 178 | T | 40.4 | Very low | 66.8 | Low | 206 Ų | 206 | 115.2 Ų | 115.2 | 100% | 1.264 | 66% | 0.66 | S | S | * | * | trans | -74.4 | 0 | 155.4 | 40 | 0 | 0 | 0 | 0 | 110.7 | V176 | V176-T178 PolarHBondContact O-N 3.48Š|
Retrieved 178 of 178 residues in 111.8 ms
(Link to these results)