| 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 | 55.3 | Low | 62.1 | Low | 237 Ų | 237 | 143.5 Ų | 143.5 | 100% | 1.167 | 70% | 0.697 | S | S | * | * | 0 | 10.5 | 0 | -141.1 | -166.7 | -69.2 | 0 | 0 | 112 | |||||
| 2 | E | 57.3 | Low | 62.8 | Low | 173 Ų | 173 | 138.9 Ų | 138.9 | 81% | 0.808 | 68% | 0.677 | S | S | * | * | trans | -101.1 | -24.3 | 179.1 | -117.7 | 166.2 | 166.3 | 0 | 0 | 113.1 | A4 | E2-A4 VanDerWaalsContact C-N 3.3Å; E2-A4 PolarHBondContact O-N 3.04Å | ||
| 3 | E | 56.6 | Low | 63.5 | Low | 148 Ų | 148 | 140.2 Ų | 140.2 | 69% | 0.692 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74.8 | -7.1 | -178.7 | -82.2 | -175.4 | 138.4 | 0 | 0 | 116 | ||
| 4 | A | 59.9 | Low | 64.3 | Low | 74 Ų | 74 | 135.6 Ų | 135.6 | 61% | 0.612 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -88.8 | -28.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E2 | E2-A4 VanDerWaalsContact C-N 3.3Å; E2-A4 PolarHBondContact O-N 3.04Å |
| 5 | E | 61.1 | Low | 65 | Low | 153 Ų | 153 | 136.6 Ų | 136.6 | 72% | 0.715 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79.4 | -33.3 | -179 | -82.2 | -177.3 | 144.5 | 0 | 0 | 113 | R7 H8 Q9 | E5-R7 VanDerWaalsContact C-N 3.3Å; E5-R7 PolarHBondContact O-N 3.43Å; E5-H8 PolarHBondContact O-N 3.32Å; E5-Q9 PolarHBondContact O-N 3.15Å |
| 6 | E | 61.4 | Low | 65.7 | Low | 149 Ų | 149 | 138.3 Ų | 138.3 | 70% | 0.696 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -64.2 | -33.9 | 177.1 | -76.5 | -168.3 | 146.3 | 0 | 0 | 112.7 | H8 V10 | E6-H8 VanDerWaalsContact C-N 3.33Å; E6-H8 PolarHBondContact O-N 3.49Å; E6-V10 WeakPolarHBondContact O-CG2 3.08Å; E6-V10 PolarHBondContact O-N 3.47Å |
| 7 | R | 62.8 | Low | 66.4 | Low | 181 Ų | 181 | 138.7 Ų | 138.7 | 68% | 0.683 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66.9 | -35.2 | 178.2 | -63.6 | -173.3 | -159.7 | -157.4 | 2.9 | 112.3 | E5 V10 E11 | E5-R7 VanDerWaalsContact C-N 3.3Å; E5-R7 PolarHBondContact O-N 3.43Å; R7-V10 PolarHBondContact O-N 2.97Å; R7-E11 PolarHBondContact O-N 3.14Å |
| 8 | H | 66.1 | Low | 66.8 | Low | 114 Ų | 114 | 138.6 Ų | 138.6 | 53% | 0.528 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -73.5 | -35.1 | -177.3 | -166.2 | 53.1 | 0 | 0 | 0 | 112.9 | E5 E6 V10 E11 I12 | E5-H8 PolarHBondContact O-N 3.32Å; E6-H8 VanDerWaalsContact C-N 3.33Å; E6-H8 PolarHBondContact O-N 3.49Å; H8-V10 VanDerWaalsContact C-N 3.32Å; H8-V10 PolarHBondContact O-N 2.91Å; H8-E11 IonicContact ND1-OE2 3.68Å; H8-E11 PolarHBondContact O-N 3.49Å; H8-I12 PolarHBondContact O-N 3.09Å |
| 9 | Q | 65.8 | Low | 67.5 | Low | 146 Ų | 146 | 135.8 Ų | 135.8 | 68% | 0.682 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.7 | -30.8 | 175.7 | -100.9 | -179.8 | 10.1 | 0 | 0 | 113.4 | E5 K13 | E5-Q9 PolarHBondContact O-N 3.15Å; Q9-K13 PolarHBondContact O-N 3.3Å |
| 10 | V | 69.2 | Low | 68.1 | Low | 94 Ų | 94 | 137.3 Ų | 137.3 | 57% | 0.57 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.9 | -43.1 | 174.8 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | E6 R7 H8 I12 K13 V14 | E6-V10 WeakPolarHBondContact O-CG2 3.08Å; E6-V10 PolarHBondContact O-N 3.47Å; R7-V10 PolarHBondContact O-N 2.97Å; H8-V10 VanDerWaalsContact C-N 3.32Å; H8-V10 PolarHBondContact O-N 2.91Å; V10-I12 PolarHBondContact O-N 3.42Å; V10-K13 PolarHBondContact O-N 3.35Å; V10-V14 WeakPolarHBondContact O-CG2 3.48Å; V10-V14 PolarHBondContact O-N 2.85Å; V10-V14 VanDerWaalsContact O-N 3.09Å |
| 11 | E | 67.4 | Low | 68.7 | Low | 109 Ų | 109 | 136.8 Ų | 136.8 | 51% | 0.509 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -60.7 | -43.4 | 177.8 | -81.3 | -175.9 | 151.9 | 0 | 0 | 113 | R7 H8 K13 V14 Y15 | R7-E11 PolarHBondContact O-N 3.14Å; H8-E11 IonicContact ND1-OE2 3.68Å; H8-E11 PolarHBondContact O-N 3.49Å; E11-K13 VanDerWaalsContact C-N 3.31Å; E11-K13 PolarHBondContact O-N 3.44Å; E11-V14 PolarHBondContact O-N 2.9Å; E11-V14 VanDerWaalsContact O-N 3.15Å; E11-Y15 VanDerWaalsContact O-CD2 3.27Å; E11-Y15 WeakPolarHBondContact O-CD2 3.31Å; E11-Y15 PolarHBondContact O-N 3.48Å |
| 12 | I | 70.6 | Confident | 70 | Confident | 89 Ų | 89 | 131 Ų | 131 | 46% | 0.456 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -61.6 | -39.8 | 178.6 | -68.8 | 174.3 | 0 | 0 | 0 | 111.3 | H8 V10 Y15 K16 | H8-I12 PolarHBondContact O-N 3.09Å; V10-I12 PolarHBondContact O-N 3.42Å; I12-Y15 PolarHBondContact O-N 2.96Å; I12-K16 WeakPolarHBondContact O-CB 3.5Å; I12-K16 PolarHBondContact O-N 3.14Å |
| 13 | K | 71.9 | Confident | 71.3 | Confident | 156 Ų | 156 | 128.2 Ų | 128.2 | 68% | 0.678 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.7 | -42.4 | 175.3 | -81.9 | -179.5 | 177.8 | 172.8 | 0 | 111.6 | Q9 V10 E11 K16 Q17 | Q9-K13 PolarHBondContact O-N 3.3Å; V10-K13 PolarHBondContact O-N 3.35Å; E11-K13 VanDerWaalsContact C-N 3.31Å; E11-K13 PolarHBondContact O-N 3.44Å; K13-K16 PolarHBondContact O-N 3.19Å; K13-Q17 WeakPolarHBondContact O-CB 3.36Å; K13-Q17 PolarHBondContact O-N 3.19Å |
| 14 | V | 74.9 | Confident | 72.6 | Confident | 75 Ų | 75 | 129 Ų | 129 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.4 | -44 | 177 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | V10 E11 Q17 K18 | V10-V14 WeakPolarHBondContact O-CG2 3.48Å; V10-V14 PolarHBondContact O-N 2.85Å; V10-V14 VanDerWaalsContact O-N 3.09Å; E11-V14 PolarHBondContact O-N 2.9Å; E11-V14 VanDerWaalsContact O-N 3.15Å; V14-Q17 PolarHBondContact O-N 3.05Å; V14-K18 PolarHBondContact O-N 3.32Å |
| 15 | Y | 75.3 | Confident | 73.7 | Confident | 151 Ų | 151 | 130.1 Ų | 130.1 | 59% | 0.592 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.4 | -41.4 | 176.2 | -81.9 | -69.3 | 0 | 0 | 0 | 112.8 | E11 I12 Q17 K18 V19 | E11-Y15 VanDerWaalsContact O-CD2 3.27Å; E11-Y15 WeakPolarHBondContact O-CD2 3.31Å; E11-Y15 PolarHBondContact O-N 3.48Å; I12-Y15 PolarHBondContact O-N 2.96Å; Y15-Q17 VanDerWaalsContact C-N 3.29Å; Y15-Q17 PolarHBondContact O-N 3.33Å; Y15-K18 WeakPolarHBondContact O-CB 3.34Å; Y15-K18 PolarHBondContact O-N 3.36Å; Y15-V19 WeakPolarHBondContact O-CG2 3.18Å; Y15-V19 PolarHBondContact O-N 3.01Å |
| 16 | K | 75.3 | Confident | 74.8 | Confident | 163 Ų | 163 | 128.5 Ų | 128.5 | 71% | 0.709 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60.1 | -41.2 | 174.9 | -121.9 | 177.8 | -178.7 | 176.3 | 0 | 111.6 | I12 K13 K20 | I12-K16 WeakPolarHBondContact O-CB 3.5Å; I12-K16 PolarHBondContact O-N 3.14Å; K13-K16 PolarHBondContact O-N 3.19Å; K16-K20 WeakPolarHBondContact O-CB 3.45Å; K16-K20 PolarHBondContact O-N 2.95Å |
| 17 | Q | 77.3 | Confident | 75.9 | Confident | 146 Ų | 146 | 128.1 Ų | 128.1 | 68% | 0.682 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.3 | -37.9 | 178.1 | -159 | 165.6 | 5.3 | 0 | 0 | 111.6 | K13 V14 Y15 K20 H21 | K13-Q17 WeakPolarHBondContact O-CB 3.36Å; K13-Q17 PolarHBondContact O-N 3.19Å; V14-Q17 PolarHBondContact O-N 3.05Å; Y15-Q17 VanDerWaalsContact C-N 3.29Å; Y15-Q17 PolarHBondContact O-N 3.33Å; Q17-K20 PolarHBondContact O-N 3.32Å; Q17-H21 WeakPolarHBondContact O-CB 3.45Å; Q17-H21 PolarHBondContact O-N 3.4Å |
| 18 | K | 74.4 | Confident | 77.1 | Confident | 136 Ų | 136 | 123.3 Ų | 123.3 | 59% | 0.591 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.1 | -48.9 | 171.3 | -101.6 | 179.2 | 178.3 | 178.8 | 0 | 112.5 | V14 Y15 K20 H21 L22 | V14-K18 PolarHBondContact O-N 3.32Å; Y15-K18 WeakPolarHBondContact O-CB 3.34Å; Y15-K18 PolarHBondContact O-N 3.36Å; K18-K20 VanDerWaalsContact C-N 3.31Å; K18-K20 PolarHBondContact O-N 3.35Å; K18-H21 PolarHBondContact O-N 3.19Å; K18-L22 WeakPolarHBondContact O-CB 3.49Å; K18-L22 PolarHBondContact O-N 2.96Å |
| 19 | V | 80.4 | Confident | 78 | Confident | 87 Ų | 87 | 121.7 Ų | 121.7 | 53% | 0.527 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62 | -41.1 | 177.8 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | Y15 H21 L22 L23 | Y15-V19 WeakPolarHBondContact O-CG2 3.18Å; Y15-V19 PolarHBondContact O-N 3.01Å; V19-H21 VanDerWaalsContact C-N 3.35Å; V19-H21 PolarHBondContact O-N 3.23Å; V19-L22 PolarHBondContact O-N 3.31Å; V19-L23 HydrophobicContact CG1-CD1 4.03Å; V19-L23 HydrophobicContact CG1-CG 4.42Å; V19-L23 WeakPolarHBondContact O-CB 3.34Å; V19-L23 WeakPolarHBondContact O-CG 3.37Å; V19-L23 PolarHBondContact O-N 2.87Å |
| 20 | K | 79 | Confident | 78.9 | Confident | 164 Ų | 164 | 118.5 Ų | 118.5 | 71% | 0.713 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.4 | -39.9 | 177.6 | -148.8 | -179.9 | -172.1 | -173.9 | 0 | 111.9 | K16 Q17 K18 Y24 | K16-K20 WeakPolarHBondContact O-CB 3.45Å; K16-K20 PolarHBondContact O-N 2.95Å; Q17-K20 PolarHBondContact O-N 3.32Å; K18-K20 VanDerWaalsContact C-N 3.31Å; K18-K20 PolarHBondContact O-N 3.35Å; K20-Y24 WeakPolarHBondContact O-CB 3.34Å; K20-Y24 PolarHBondContact O-N 2.95Å; K20-Y24 VanDerWaalsContact O-N 3.09Å |
| 21 | H | 81.1 | Confident | 79.6 | Confident | 128 Ų | 128 | 117.5 Ų | 117.5 | 59% | 0.593 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.1 | -45.1 | 173.7 | -166.8 | 65.5 | 0 | 0 | 0 | 111.3 | Q17 K18 V19 L23 Y24 E25 | Q17-H21 WeakPolarHBondContact O-CB 3.45Å; Q17-H21 PolarHBondContact O-N 3.4Å; K18-H21 PolarHBondContact O-N 3.19Å; V19-H21 VanDerWaalsContact C-N 3.35Å; V19-H21 PolarHBondContact O-N 3.23Å; H21-L23 PolarHBondContact O-N 3.33Å; H21-Y24 PolarHBondContact O-N 3.34Å; H21-E25 VanDerWaalsContact O-CB 3.31Å; H21-E25 WeakPolarHBondContact O-CB 3.36Å; H21-E25 PolarHBondContact O-N 3.05Å |
| 22 | L | 82.9 | Confident | 80.5 | Confident | 114 Ų | 114 | 117.1 Ų | 117.1 | 60% | 0.597 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66 | -38.1 | -178.9 | -140.4 | 133 | 0 | 0 | 0 | 112.6 | K18 V19 H26 | K18-L22 WeakPolarHBondContact O-CB 3.49Å; K18-L22 PolarHBondContact O-N 2.96Å; V19-L22 PolarHBondContact O-N 3.31Å; L22-H26 VanDerWaalsContact O-CB 3.29Å; L22-H26 WeakPolarHBondContact O-CB 3.36Å; L22-H26 PolarHBondContact O-N 2.91Å |
| 23 | L | 82.9 | Confident | 81.3 | Confident | 116 Ų | 116 | 119.2 Ų | 119.2 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.9 | -41.6 | 173.1 | -75.8 | 171.3 | 0 | 0 | 0 | 111.9 | V19 H21 Q27 | V19-L23 HydrophobicContact CG1-CD1 4.03Å; V19-L23 HydrophobicContact CG1-CG 4.42Å; V19-L23 WeakPolarHBondContact O-CB 3.34Å; V19-L23 WeakPolarHBondContact O-CG 3.37Å; V19-L23 PolarHBondContact O-N 2.87Å; H21-L23 PolarHBondContact O-N 3.33Å; L23-Q27 VanDerWaalsContact O-CB 3.26Å; L23-Q27 WeakPolarHBondContact O-CB 3.37Å; L23-Q27 PolarHBondContact O-N 3.25Å |
| 24 | Y | 84.6 | Confident | 81.9 | Confident | 165 Ų | 165 | 118.3 Ų | 118.3 | 65% | 0.647 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65 | -44.7 | 176 | -173.4 | -92.2 | 0 | 0 | 0 | 111.1 | K20 H21 Q27 N28 | K20-Y24 WeakPolarHBondContact O-CB 3.34Å; K20-Y24 PolarHBondContact O-N 2.95Å; K20-Y24 VanDerWaalsContact O-N 3.09Å; H21-Y24 PolarHBondContact O-N 3.34Å; Y24-Q27 PolarHBondContact O-N 3.13Å; Y24-N28 WeakPolarHBondContact O-CB 3.18Å; Y24-N28 PolarHBondContact O-N 3.15Å |
| 25 | E | 83.8 | Confident | 82.5 | Confident | 97 Ų | 97 | 117.3 Ų | 117.3 | 45% | 0.453 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.2 | -45.2 | 177.6 | -165.7 | -178.4 | -163.5 | 0 | 0 | 111.3 | H21 Q27 N28 N29 | H21-E25 VanDerWaalsContact O-CB 3.31Å; H21-E25 WeakPolarHBondContact O-CB 3.36Å; H21-E25 PolarHBondContact O-N 3.05Å; E25-Q27 PolarHBondContact O-N 3.48Å; E25-N28 PolarHBondContact O-N 3.32Å; E25-N29 WeakPolarHBondContact O-CB 3.49Å; E25-N29 PolarHBondContact O-N 2.68Å; E25-N29 PolarHBondContact O-OD1 2.8Å |
| 26 | H | 84.4 | Confident | 83 | Confident | 118 Ų | 118 | 115.5 Ų | 115.5 | 55% | 0.546 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.8 | -42.4 | 175.5 | -166.8 | -19.9 | 0 | 0 | 0 | 111.6 | L22 N28 N29 L30 | L22-H26 VanDerWaalsContact O-CB 3.29Å; L22-H26 WeakPolarHBondContact O-CB 3.36Å; L22-H26 PolarHBondContact O-N 2.91Å; H26-N28 VanDerWaalsContact C-N 3.33Å; H26-N29 PolarHBondContact O-N 3.18Å; H26-L30 WeakPolarHBondContact O-CB 3.39Å; H26-L30 PolarHBondContact O-N 3.08Å |
| 27 | Q | 84.5 | Confident | 83.6 | Confident | 141 Ų | 141 | 109.7 Ų | 109.7 | 66% | 0.659 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.5 | -39.4 | 177 | -174.7 | 142.9 | 3.3 | 0 | 0 | 111.4 | L23 Y24 E25 L30 T31 | L23-Q27 VanDerWaalsContact O-CB 3.26Å; L23-Q27 WeakPolarHBondContact O-CB 3.37Å; L23-Q27 PolarHBondContact O-N 3.25Å; Y24-Q27 PolarHBondContact O-N 3.13Å; E25-Q27 PolarHBondContact O-N 3.48Å; Q27-L30 PolarHBondContact O-N 3.13Å; Q27-T31 PolarHBondContact O-N 3.42Å; Q27-T31 PolarHBondContact O-OG1 2.96Å |
| 28 | N | 86.3 | Confident | 84.2 | Confident | 80 Ų | 80 | 106.4 Ų | 106.4 | 43% | 0.428 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 176.1 | -159.9 | 50.1 | 0 | 0 | 0 | 111 | Y24 E25 H26 L30 T31 E32 | Y24-N28 WeakPolarHBondContact O-CB 3.18Å; Y24-N28 PolarHBondContact O-N 3.15Å; E25-N28 PolarHBondContact O-N 3.32Å; H26-N28 VanDerWaalsContact C-N 3.33Å; N28-L30 VanDerWaalsContact C-N 3.3Å; N28-L30 PolarHBondContact O-N 3.4Å; N28-T31 VanDerWaalsContact CA-OG1 3.31Å; N28-T31 WeakPolarHBondContact CA-OG1 3.21Å; N28-T31 PolarHBondContact O-N 3.49Å; N28-T31 PolarHBondContact O-OG1 3.45Å; N28-E32 WeakPolarHBondContact O-CB 3.44Å; N28-E32 PolarHBondContact O-N 3.39Å |
| 29 | N | 85.3 | Confident | 85 | Confident | 80 Ų | 80 | 104 Ų | 104 | 43% | 0.428 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 175 | -71 | -6.7 | 0 | 0 | 0 | 111.8 | E25 H26 E32 M33 | E25-N29 WeakPolarHBondContact O-CB 3.49Å; E25-N29 PolarHBondContact O-N 2.68Å; E25-N29 PolarHBondContact O-OD1 2.8Å; H26-N29 PolarHBondContact O-N 3.18Å; N29-E32 PolarHBondContact O-N 2.93Å; N29-M33 VanDerWaalsContact O-CB 3.28Å; N29-M33 WeakPolarHBondContact O-CB 3.44Å; N29-M33 PolarHBondContact O-N 3.48Å |
| 30 | L | 85.1 | Confident | 85.4 | Confident | 79 Ų | 79 | 104.4 Ų | 104.4 | 41% | 0.414 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.8 | -38.6 | 178.1 | -158.9 | 107.2 | 0 | 0 | 0 | 111.7 | H26 Q27 N28 K34 | H26-L30 WeakPolarHBondContact O-CB 3.39Å; H26-L30 PolarHBondContact O-N 3.08Å; Q27-L30 PolarHBondContact O-N 3.13Å; N28-L30 VanDerWaalsContact C-N 3.3Å; N28-L30 PolarHBondContact O-N 3.4Å; L30-K34 HydrophobicContact CD2-CD 4.49Å; L30-K34 WeakPolarHBondContact O-CB 3.48Å; L30-K34 WeakPolarHBondContact O-CG 3.32Å; L30-K34 PolarHBondContact O-N 2.97Å |
| 31 | T | 84.1 | Confident | 86 | Confident | 73 Ų | 73 | 102.2 Ų | 102.2 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 173.1 | 39.8 | 0 | 0 | 0 | 0 | 112 | Q27 N28 K34 A35 | Q27-T31 PolarHBondContact O-N 3.42Å; Q27-T31 PolarHBondContact O-OG1 2.96Å; N28-T31 VanDerWaalsContact CA-OG1 3.31Å; N28-T31 WeakPolarHBondContact CA-OG1 3.21Å; N28-T31 PolarHBondContact O-N 3.49Å; N28-T31 PolarHBondContact O-OG1 3.45Å; T31-K34 PolarHBondContact O-N 2.87Å; T31-A35 WeakPolarHBondContact O-CB 3.36Å; T31-A35 PolarHBondContact O-N 2.9Å |
| 32 | E | 86.6 | Confident | 86.4 | Confident | 101 Ų | 101 | 102.9 Ų | 102.9 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -51.1 | 176.5 | -172.4 | 166.9 | -152.3 | 0 | 0 | 110.6 | N28 N29 K34 A35 E36 | N28-E32 WeakPolarHBondContact O-CB 3.44Å; N28-E32 PolarHBondContact O-N 3.39Å; N29-E32 PolarHBondContact O-N 2.93Å; E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.35Å; E32-A35 CarbonylContact O-C 3.54Å; E32-A35 WeakPolarHBondContact O-CA 3.49Å; E32-A35 WeakPolarHBondContact O-CB 3.23Å; E32-A35 PolarHBondContact O-N 3.36Å; E32-E36 WeakPolarHBondContact O-CB 3.17Å; E32-E36 WeakPolarHBondContact O-CG 3.35Å; E32-E36 PolarHBondContact O-N 2.9Å |
| 33 | M | 86.6 | Confident | 86.9 | Confident | 134 Ų | 134 | 102.3 Ų | 102.3 | 66% | 0.66 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.8 | -38.3 | 176.7 | -171.7 | -168.8 | -69.5 | 0 | 0 | 112.6 | N29 G37 | N29-M33 VanDerWaalsContact O-CB 3.28Å; N29-M33 WeakPolarHBondContact O-CB 3.44Å; N29-M33 PolarHBondContact O-N 3.48Å; M33-G37 PolarHBondContact O-N 2.8Å |
| 34 | K | 86.1 | Confident | 87.3 | Confident | 137 Ų | 137 | 99.5 Ų | 99.5 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.5 | -40.2 | 174.1 | -79.6 | -179.9 | 179.4 | -179.9 | 0 | 112 | L30 T31 E32 T38 | L30-K34 HydrophobicContact CD2-CD 4.49Å; L30-K34 WeakPolarHBondContact O-CB 3.48Å; L30-K34 WeakPolarHBondContact O-CG 3.32Å; L30-K34 PolarHBondContact O-N 2.97Å; T31-K34 PolarHBondContact O-N 2.87Å; E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.35Å; K34-T38 WeakPolarHBondContact O-CB 3.34Å; K34-T38 PolarHBondContact O-N 2.98Å; K34-T38 PolarHBondContact O-OG1 2.84Å |
| 35 | A | 86.1 | Confident | 87.6 | Confident | 54 Ų | 54 | 96 Ų | 96 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.4 | -48.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | T31 E32 T38 V39 | T31-A35 WeakPolarHBondContact O-CB 3.36Å; T31-A35 PolarHBondContact O-N 2.9Å; E32-A35 CarbonylContact O-C 3.54Å; E32-A35 WeakPolarHBondContact O-CA 3.49Å; E32-A35 WeakPolarHBondContact O-CB 3.23Å; E32-A35 PolarHBondContact O-N 3.36Å; A35-T38 PolarHBondContact O-N 3.21Å; A35-V39 VanDerWaalsContact O-CG2 3.3Å; A35-V39 WeakPolarHBondContact O-CG2 3.42Å; A35-V39 PolarHBondContact O-N 3.39Å |
| 36 | E | 86.7 | Confident | 88 | Confident | 112 Ų | 112 | 97.9 Ų | 97.9 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.1 | -49.3 | 174 | -72.2 | -179.1 | 166.3 | 0 | 0 | 111.7 | E32 T38 V39 V40 | E32-E36 WeakPolarHBondContact O-CB 3.17Å; E32-E36 WeakPolarHBondContact O-CG 3.35Å; E32-E36 PolarHBondContact O-N 2.9Å; E36-T38 VanDerWaalsContact C-N 3.29Å; E36-T38 PolarHBondContact O-N 3.48Å; E36-V39 WeakPolarHBondContact O-CB 3.37Å; E36-V39 PolarHBondContact O-N 3.43Å; E36-V39 VanDerWaalsContact O-N 3.1Å; E36-V40 WeakPolarHBondContact O-CG2 3.42Å; E36-V40 PolarHBondContact O-N 3.15Å |
| 37 | G | 88.2 | Confident | 88.4 | Confident | 42 Ų | 42 | 97.8 Ų | 97.8 | 43% | 0.433 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.1 | -38.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M33 V40 M41 | M33-G37 PolarHBondContact O-N 2.8Å; G37-V40 PolarHBondContact O-N 2.88Å; G37-M41 WeakPolarHBondContact O-CB 3.33Å; G37-M41 PolarHBondContact O-N 3.45Å |
| 38 | T | 89.6 | Confident | 88.8 | Confident | 77 Ų | 77 | 96.4 Ų | 96.4 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 175.3 | -53 | 0 | 0 | 0 | 0 | 111.5 | K34 A35 E36 K42 | K34-T38 WeakPolarHBondContact O-CB 3.34Å; K34-T38 PolarHBondContact O-N 2.98Å; K34-T38 PolarHBondContact O-OG1 2.84Å; A35-T38 PolarHBondContact O-N 3.21Å; E36-T38 VanDerWaalsContact C-N 3.29Å; E36-T38 PolarHBondContact O-N 3.48Å; T38-K42 WeakPolarHBondContact O-CB 3.4Å; T38-K42 WeakPolarHBondContact O-CG 3.4Å; T38-K42 PolarHBondContact O-N 2.88Å |
| 39 | V | 90.4 | Very high | 89.1 | Confident | 84 Ų | 84 | 101 Ų | 101 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.3 | -48.3 | 175.1 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | A35 E36 M41 K42 L43 | A35-V39 VanDerWaalsContact O-CG2 3.3Å; A35-V39 WeakPolarHBondContact O-CG2 3.42Å; A35-V39 PolarHBondContact O-N 3.39Å; E36-V39 WeakPolarHBondContact O-CB 3.37Å; E36-V39 PolarHBondContact O-N 3.43Å; E36-V39 VanDerWaalsContact O-N 3.1Å; V39-M41 PolarHBondContact O-N 2.65Å; V39-K42 PolarHBondContact O-N 2.92Å; V39-L43 HydrophobicContact CG1-CD1 4Å; V39-L43 HydrophobicContact CG1-CG 4.46Å; V39-L43 WeakPolarHBondContact O-CG 3.28Å; V39-L43 PolarHBondContact O-N 3.06Å |
| 40 | V | 90.4 | Very high | 89.5 | Confident | 96 Ų | 96 | 101.7 Ų | 101.7 | 58% | 0.582 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59 | -46.4 | 177 | 172.2 | 0 | 0 | 0 | 0 | 111 | E36 G37 K42 L43 A44 | E36-V40 WeakPolarHBondContact O-CG2 3.42Å; E36-V40 PolarHBondContact O-N 3.15Å; G37-V40 PolarHBondContact O-N 2.88Å; V40-K42 PolarHBondContact O-N 3.45Å; V40-L43 PolarHBondContact O-N 3.21Å; V40-A44 WeakPolarHBondContact O-CB 3.26Å; V40-A44 PolarHBondContact O-N 3.48Å |
| 41 | M | 89.6 | Confident | 89.9 | Confident | 118 Ų | 118 | 102.9 Ų | 102.9 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.7 | -39.3 | 178 | -177.8 | 172.1 | 156.1 | 0 | 0 | 112.4 | G37 V39 A44 Q45 | G37-M41 WeakPolarHBondContact O-CB 3.33Å; G37-M41 PolarHBondContact O-N 3.45Å; V39-M41 PolarHBondContact O-N 2.65Å; M41-A44 PolarHBondContact O-N 3.44Å; M41-Q45 WeakPolarHBondContact O-CB 3.32Å; M41-Q45 WeakPolarHBondContact O-CG 3.41Å; M41-Q45 PolarHBondContact O-N 2.72Å |
| 42 | K | 91.3 | Very high | 90.3 | Very high | 142 Ų | 142 | 102.9 Ų | 102.9 | 62% | 0.617 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.2 | -38.9 | 174.2 | -81.9 | -173.9 | 177.6 | 178.9 | 0 | 112.4 | T38 V39 V40 Q45 K46 | T38-K42 WeakPolarHBondContact O-CB 3.4Å; T38-K42 WeakPolarHBondContact O-CG 3.4Å; T38-K42 PolarHBondContact O-N 2.88Å; V39-K42 PolarHBondContact O-N 2.92Å; V40-K42 PolarHBondContact O-N 3.45Å; K42-Q45 PolarHBondContact O-N 2.84Å; K42-K46 WeakPolarHBondContact O-CB 3.13Å; K42-K46 PolarHBondContact O-N 3.23Å |
| 43 | L | 92.1 | Very high | 90.6 | Very high | 103 Ų | 103 | 100.6 Ų | 100.6 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 174.3 | -73 | 170.8 | 0 | 0 | 0 | 110.5 | V39 V40 Q45 K46 E47 | V39-L43 HydrophobicContact CG1-CD1 4Å; V39-L43 HydrophobicContact CG1-CG 4.46Å; V39-L43 WeakPolarHBondContact O-CG 3.28Å; V39-L43 PolarHBondContact O-N 3.06Å; V40-L43 PolarHBondContact O-N 3.21Å; L43-Q45 PolarHBondContact O-N 3.42Å; L43-K46 WeakPolarHBondContact O-CB 3.23Å; L43-K46 PolarHBondContact O-N 3.45Å; L43-E47 WeakPolarHBondContact O-CB 3.42Å; L43-E47 PolarHBondContact O-N 2.66Å |
| 44 | A | 91.1 | Very high | 91 | Very high | 56 Ų | 56 | 97.4 Ų | 97.4 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V40 M41 E47 H48 | V40-A44 WeakPolarHBondContact O-CB 3.26Å; V40-A44 PolarHBondContact O-N 3.48Å; M41-A44 PolarHBondContact O-N 3.44Å; A44-E47 PolarHBondContact O-N 2.87Å; A44-H48 WeakPolarHBondContact O-CB 3.3Å; A44-H48 PolarHBondContact O-N 3.4Å |
| 45 | Q | 90.9 | Very high | 91.4 | Very high | 91 Ų | 91 | 96.5 Ų | 96.5 | 43% | 0.425 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 174.4 | -78.8 | -177.2 | -7.8 | 0 | 0 | 112.5 | M41 K42 L43 E47 R49 | M41-Q45 WeakPolarHBondContact O-CB 3.32Å; M41-Q45 WeakPolarHBondContact O-CG 3.41Å; M41-Q45 PolarHBondContact O-N 2.72Å; K42-Q45 PolarHBondContact O-N 2.84Å; L43-Q45 PolarHBondContact O-N 3.42Å; Q45-E47 VanDerWaalsContact C-N 3.35Å; Q45-R49 WeakPolarHBondContact O-CB 3.28Å; Q45-R49 VanDerWaalsContact O-CG 3.3Å; Q45-R49 WeakPolarHBondContact O-CG 3.45Å; Q45-R49 PolarHBondContact O-N 2.81Å |
| 46 | K | 93.4 | Very high | 91.7 | Very high | 137 Ų | 137 | 100.6 Ų | 100.6 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.2 | -43.4 | 176.1 | -174.8 | -178.1 | 177.2 | -174.7 | 0 | 110.4 | K42 L43 R49 I50 | K42-K46 WeakPolarHBondContact O-CB 3.13Å; K42-K46 PolarHBondContact O-N 3.23Å; L43-K46 WeakPolarHBondContact O-CB 3.23Å; L43-K46 PolarHBondContact O-N 3.45Å; K46-R49 PolarHBondContact O-N 2.78Å; K46-I50 HydrophobicContact CG-CD1 4.11Å; K46-I50 VanDerWaalsContact O-CG1 3.26Å; K46-I50 WeakPolarHBondContact O-CG1 3.48Å; K46-I50 PolarHBondContact O-N 3.17Å |
| 47 | E | 92.8 | Very high | 92.1 | Very high | 116 Ų | 116 | 101.1 Ų | 101.1 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -47 | 177.1 | -169.6 | 170.4 | -171.7 | 0 | 0 | 111.8 | L43 A44 Q45 R49 I50 Q51 | L43-E47 WeakPolarHBondContact O-CB 3.42Å; L43-E47 PolarHBondContact O-N 2.66Å; A44-E47 PolarHBondContact O-N 2.87Å; Q45-E47 VanDerWaalsContact C-N 3.35Å; E47-R49 VanDerWaalsContact C-N 3.34Å; E47-R49 PolarHBondContact O-N 3.29Å; E47-I50 WeakPolarHBondContact O-CB 3.44Å; E47-I50 PolarHBondContact O-N 2.86Å; E47-I50 VanDerWaalsContact O-N 3.1Å; E47-Q51 WeakPolarHBondContact O-CG 3.34Å; E47-Q51 PolarHBondContact O-N 3.24Å |
| 48 | H | 91.9 | Very high | 92.4 | Very high | 113 Ų | 113 | 103 Ų | 103 | 52% | 0.523 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 174.7 | -175.1 | -78.9 | 0 | 0 | 0 | 112.2 | A44 I50 Q51 E52 | A44-H48 WeakPolarHBondContact O-CB 3.3Å; A44-H48 PolarHBondContact O-N 3.4Å; H48-I50 VanDerWaalsContact C-N 3.3Å; H48-I50 PolarHBondContact O-N 2.78Å; H48-Q51 PolarHBondContact O-N 2.77Å; H48-E52 WeakPolarHBondContact O-CB 3.41Å; H48-E52 PolarHBondContact O-N 3.01Å |
| 49 | R | 93 | Very high | 92.6 | Very high | 175 Ų | 175 | 103.9 Ų | 103.9 | 66% | 0.66 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.7 | -37 | 175.4 | -75.9 | 176.6 | -176.3 | 176.3 | 3.3 | 112.2 | Q45 K46 E47 S53 | Q45-R49 WeakPolarHBondContact O-CB 3.28Å; Q45-R49 VanDerWaalsContact O-CG 3.3Å; Q45-R49 WeakPolarHBondContact O-CG 3.45Å; Q45-R49 PolarHBondContact O-N 2.81Å; K46-R49 PolarHBondContact O-N 2.78Å; E47-R49 VanDerWaalsContact C-N 3.34Å; E47-R49 PolarHBondContact O-N 3.29Å; R49-S53 WeakPolarHBondContact O-CB 3.45Å; R49-S53 PolarHBondContact O-N 3.07Å |
| 50 | I | 94.4 | Very high | 92.8 | Very high | 95 Ų | 95 | 106.7 Ų | 106.7 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.2 | -48.9 | 174.9 | -69.2 | 164.4 | 0 | 0 | 0 | 109.7 | K46 E47 H48 E52 S53 V54 | K46-I50 HydrophobicContact CG-CD1 4.11Å; K46-I50 VanDerWaalsContact O-CG1 3.26Å; K46-I50 WeakPolarHBondContact O-CG1 3.48Å; K46-I50 PolarHBondContact O-N 3.17Å; E47-I50 WeakPolarHBondContact O-CB 3.44Å; E47-I50 PolarHBondContact O-N 2.86Å; E47-I50 VanDerWaalsContact O-N 3.1Å; H48-I50 VanDerWaalsContact C-N 3.3Å; H48-I50 PolarHBondContact O-N 2.78Å; I50-E52 PolarHBondContact O-N 3.16Å; I50-S53 WeakPolarHBondContact O-CB 3.29Å; I50-S53 PolarHBondContact O-N 3.07Å; I50-S53 VanDerWaalsContact O-N 3.16Å; I50-V54 HydrophobicContact CG2-CG2 4.46Å; I50-V54 WeakPolarHBondContact O-CG2 3.41Å; I50-V54 PolarHBondContact O-N 2.89Å |
| 51 | Q | 92.9 | Very high | 93 | Very high | 104 Ų | 104 | 104.8 Ų | 104.8 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.8 | -45.9 | 177.5 | -71.5 | 175.9 | -4.1 | 0 | 0 | 111.9 | E47 H48 S53 V54 L55 | E47-Q51 WeakPolarHBondContact O-CG 3.34Å; E47-Q51 PolarHBondContact O-N 3.24Å; H48-Q51 PolarHBondContact O-N 2.77Å; Q51-S53 VanDerWaalsContact C-N 3.33Å; Q51-S53 PolarHBondContact O-N 2.91Å; Q51-V54 PolarHBondContact O-N 2.86Å; Q51-L55 WeakPolarHBondContact O-CG 3.46Å; Q51-L55 PolarHBondContact O-N 2.98Å |
| 52 | E | 91.6 | Very high | 93.3 | Very high | 74 Ų | 74 | 104.4 Ų | 104.4 | 35% | 0.346 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 177.4 | -165.7 | -172.7 | 167.4 | 0 | 0 | 111.9 | H48 I50 R56 | H48-E52 WeakPolarHBondContact O-CB 3.41Å; H48-E52 PolarHBondContact O-N 3.01Å; I50-E52 PolarHBondContact O-N 3.16Å; E52-R56 WeakPolarHBondContact O-CB 3.5Å; E52-R56 VanDerWaalsContact O-CG 3.26Å; E52-R56 WeakPolarHBondContact O-CG 3.47Å; E52-R56 PolarHBondContact O-N 3.31Å; E52-R56 IonicContact OE1-CZ 3.69Å; E52-R56 VanDerWaalsContact OE1-CZ 3.3Å; E52-R56 IonicContact OE1-NE 3.72Å; E52-R56 PolarHBondContact OE1-NE 3.38Å; E52-R56 IonicContact OE1-NH2 3.75Å; E52-R56 PolarHBondContact OE1-NH2 3.31Å |
| 53 | S | 93.9 | Very high | 93.4 | Very high | 53 Ų | 53 | 104 Ų | 104 | 37% | 0.371 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 174.7 | -168.1 | 0 | 0 | 0 | 0 | 111.9 | R49 I50 Q51 R56 K57 | R49-S53 WeakPolarHBondContact O-CB 3.45Å; R49-S53 PolarHBondContact O-N 3.07Å; I50-S53 WeakPolarHBondContact O-CB 3.29Å; I50-S53 PolarHBondContact O-N 3.07Å; I50-S53 VanDerWaalsContact O-N 3.16Å; Q51-S53 VanDerWaalsContact C-N 3.33Å; Q51-S53 PolarHBondContact O-N 2.91Å; S53-R56 PolarHBondContact O-N 2.96Å; S53-K57 WeakPolarHBondContact O-CG 3.32Å; S53-K57 PolarHBondContact O-N 3.46Å |
| 54 | V | 95 | Very high | 93.6 | Very high | 67 Ų | 67 | 102.9 Ų | 102.9 | 41% | 0.406 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -51.9 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 110.1 | I50 Q51 R56 K57 D58 | I50-V54 HydrophobicContact CG2-CG2 4.46Å; I50-V54 WeakPolarHBondContact O-CG2 3.41Å; I50-V54 PolarHBondContact O-N 2.89Å; Q51-V54 PolarHBondContact O-N 2.86Å; V54-R56 VanDerWaalsContact C-N 3.29Å; V54-R56 PolarHBondContact O-N 3.42Å; V54-K57 CarbonylContact O-C 3.6Å; V54-K57 WeakPolarHBondContact O-CA 3.43Å; V54-K57 WeakPolarHBondContact O-CB 3.29Å; V54-K57 PolarHBondContact O-N 3.38Å; V54-D58 WeakPolarHBondContact CG1-OD2 3.36Å; V54-D58 VanDerWaalsContact O-CG 3.3Å; V54-D58 PolarHBondContact O-N 2.98Å |
| 55 | L | 93.7 | Very high | 93.8 | Very high | 117 Ų | 117 | 105.9 Ų | 105.9 | 61% | 0.613 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57 | -40.1 | 177.3 | -72.6 | 173.8 | 0 | 0 | 0 | 112.8 | Q51 K57 D58 M59 | Q51-L55 WeakPolarHBondContact O-CG 3.46Å; Q51-L55 PolarHBondContact O-N 2.98Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-D58 PolarHBondContact O-N 2.8Å; L55-M59 VanDerWaalsContact O-CB 3.28Å; L55-M59 WeakPolarHBondContact O-CB 3.44Å; L55-M59 PolarHBondContact O-N 3.28Å |
| 56 | R | 93.7 | Very high | 93.9 | Very high | 141 Ų | 141 | 106.1 Ų | 106.1 | 53% | 0.532 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.5 | -33.4 | 175.1 | -73.7 | 176.4 | -175.3 | -155.2 | 4 | 112.5 | E52 S53 V54 R60 | E52-R56 WeakPolarHBondContact O-CB 3.5Å; E52-R56 VanDerWaalsContact O-CG 3.26Å; E52-R56 WeakPolarHBondContact O-CG 3.47Å; E52-R56 PolarHBondContact O-N 3.31Å; E52-R56 IonicContact OE1-CZ 3.69Å; E52-R56 VanDerWaalsContact OE1-CZ 3.3Å; E52-R56 IonicContact OE1-NE 3.72Å; E52-R56 PolarHBondContact OE1-NE 3.38Å; E52-R56 IonicContact OE1-NH2 3.75Å; E52-R56 PolarHBondContact OE1-NH2 3.31Å; S53-R56 PolarHBondContact O-N 2.96Å; V54-R56 VanDerWaalsContact C-N 3.29Å; V54-R56 PolarHBondContact O-N 3.42Å; R56-R60 WeakPolarHBondContact O-CG 3.49Å; R56-R60 PolarHBondContact O-N 3.2Å; R56-R60 PolarHBondContact O-NE 2.91Å; R56-R60 VanDerWaalsContact O-NE 3.15Å |
| 57 | K | 94.8 | Very high | 94 | Very high | 123 Ų | 123 | 104.9 Ų | 104.9 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.5 | -47.3 | 173 | -74.3 | 174.8 | -178.2 | -178 | 0 | 110.3 | S53 V54 L55 M59 R60 A61 | S53-K57 WeakPolarHBondContact O-CG 3.32Å; S53-K57 PolarHBondContact O-N 3.46Å; V54-K57 CarbonylContact O-C 3.6Å; V54-K57 WeakPolarHBondContact O-CA 3.43Å; V54-K57 WeakPolarHBondContact O-CB 3.29Å; V54-K57 PolarHBondContact O-N 3.38Å; L55-K57 VanDerWaalsContact C-N 3.34Å; K57-M59 PolarHBondContact O-N 3.39Å; K57-R60 WeakPolarHBondContact O-CB 3.21Å; K57-R60 PolarHBondContact O-N 3.38Å; K57-R60 VanDerWaalsContact O-N 3.1Å; K57-A61 PolarHBondContact O-N 3.3Å |
| 58 | D | 94.6 | Very high | 94.1 | Very high | 80 Ų | 80 | 105.3 Ų | 105.3 | 43% | 0.428 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 179.7 | -62.8 | -12 | 0 | 0 | 0 | 111.3 | V54 L55 R60 A61 L62 | V54-D58 WeakPolarHBondContact CG1-OD2 3.36Å; V54-D58 VanDerWaalsContact O-CG 3.3Å; V54-D58 PolarHBondContact O-N 2.98Å; L55-D58 PolarHBondContact O-N 2.8Å; D58-R60 VanDerWaalsContact C-N 3.27Å; D58-R60 PolarHBondContact O-N 3.25Å; D58-A61 PolarHBondContact O-N 3.46Å; D58-A61 VanDerWaalsContact O-N 3.16Å; D58-L62 WeakPolarHBondContact O-CB 3.39Å; D58-L62 PolarHBondContact O-N 3.13Å |
| 59 | M | 94 | Very high | 94.2 | Very high | 97 Ų | 97 | 106.3 Ų | 106.3 | 48% | 0.478 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 174.5 | -176.7 | -167.5 | 63.3 | 0 | 0 | 112 | L55 K57 K63 | L55-M59 VanDerWaalsContact O-CB 3.28Å; L55-M59 WeakPolarHBondContact O-CB 3.44Å; L55-M59 PolarHBondContact O-N 3.28Å; K57-M59 PolarHBondContact O-N 3.39Å; M59-K63 WeakPolarHBondContact O-CG 3.43Å; M59-K63 PolarHBondContact O-N 3.44Å; M59-K63 VanDerWaalsContact O-N 3.07Å |
| 60 | R | 94.3 | Very high | 94.2 | Very high | 142 Ų | 142 | 102 Ų | 102 | 54% | 0.536 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.1 | -41.6 | 176.1 | -77.8 | -178.4 | -68.3 | -140.5 | -1.3 | 111.5 | R56 K57 D58 K63 V64 | R56-R60 WeakPolarHBondContact O-CG 3.49Å; R56-R60 PolarHBondContact O-N 3.2Å; R56-R60 PolarHBondContact O-NE 2.91Å; R56-R60 VanDerWaalsContact O-NE 3.15Å; K57-R60 WeakPolarHBondContact O-CB 3.21Å; K57-R60 PolarHBondContact O-N 3.38Å; K57-R60 VanDerWaalsContact O-N 3.1Å; D58-R60 VanDerWaalsContact C-N 3.27Å; D58-R60 PolarHBondContact O-N 3.25Å; R60-K63 PolarHBondContact O-N 2.91Å; R60-V64 WeakPolarHBondContact O-CG2 3.41Å; R60-V64 PolarHBondContact O-N 3.37Å; R60-V64 VanDerWaalsContact O-N 3.11Å |
| 61 | A | 95 | Very high | 94.2 | Very high | 57 Ų | 57 | 101.8 Ų | 101.8 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.3 | -49 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K57 D58 K63 V64 E65 | K57-A61 PolarHBondContact O-N 3.3Å; D58-A61 PolarHBondContact O-N 3.46Å; D58-A61 VanDerWaalsContact O-N 3.16Å; A61-K63 VanDerWaalsContact C-N 3.3Å; A61-K63 PolarHBondContact O-N 3.08Å; A61-V64 WeakPolarHBondContact O-CB 3.49Å; A61-V64 PolarHBondContact O-N 3.41Å; A61-E65 PolarHBondContact O-N 2.71Å |
| 62 | L | 94.9 | Very high | 94.3 | Very high | 109 Ų | 109 | 99.5 Ų | 99.5 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.7 | -38.8 | 175.4 | -82.5 | 156.6 | 0 | 0 | 0 | 112.8 | D58 E65 L66 | D58-L62 WeakPolarHBondContact O-CB 3.39Å; D58-L62 PolarHBondContact O-N 3.13Å; L62-E65 PolarHBondContact O-N 3.3Å; L62-L66 VanDerWaalsContact O-CB 3.29Å; L62-L66 WeakPolarHBondContact O-CB 3.44Å; L62-L66 PolarHBondContact O-N 3.11Å |
| 63 | K | 94.1 | Very high | 94.4 | Very high | 134 Ų | 134 | 99.1 Ų | 99.1 | 58% | 0.583 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.6 | -38.7 | 175.2 | -81.1 | -177.8 | -179.3 | -174.8 | 0 | 112.7 | M59 R60 A61 K67 | M59-K63 WeakPolarHBondContact O-CG 3.43Å; M59-K63 PolarHBondContact O-N 3.44Å; M59-K63 VanDerWaalsContact O-N 3.07Å; R60-K63 PolarHBondContact O-N 2.91Å; A61-K63 VanDerWaalsContact C-N 3.3Å; A61-K63 PolarHBondContact O-N 3.08Å; K63-K67 WeakPolarHBondContact O-CB 3.44Å; K63-K67 PolarHBondContact O-N 3.39Å; K63-K67 VanDerWaalsContact O-N 3.11Å |
| 64 | V | 95.4 | Very high | 94.4 | Very high | 80 Ų | 80 | 102.9 Ų | 102.9 | 49% | 0.485 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.1 | -48.5 | 175.8 | 172.8 | 0 | 0 | 0 | 0 | 109.6 | R60 A61 L66 K67 E68 | R60-V64 WeakPolarHBondContact O-CG2 3.41Å; R60-V64 PolarHBondContact O-N 3.37Å; R60-V64 VanDerWaalsContact O-N 3.11Å; A61-V64 WeakPolarHBondContact O-CB 3.49Å; A61-V64 PolarHBondContact O-N 3.41Å; V64-L66 VanDerWaalsContact C-N 3.33Å; V64-L66 PolarHBondContact O-N 3.36Å; V64-K67 PolarHBondContact O-N 2.81Å; V64-E68 HydrophobicContact CG1-CG 4.29Å; V64-E68 WeakPolarHBondContact O-CG 3.45Å; V64-E68 PolarHBondContact O-N 3.19Å |
| 65 | E | 94.7 | Very high | 94.4 | Very high | 119 Ų | 119 | 103.6 Ų | 103.6 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.7 | -43.4 | 178.3 | -171.5 | 175.3 | -168.7 | 0 | 0 | 111.9 | A61 L62 K67 E68 Q69 | A61-E65 PolarHBondContact O-N 2.71Å; L62-E65 PolarHBondContact O-N 3.3Å; E65-K67 VanDerWaalsContact C-N 3.34Å; E65-K67 PolarHBondContact O-N 3.39Å; E65-E68 PolarHBondContact O-N 2.84Å; E65-Q69 WeakPolarHBondContact O-CB 3.48Å; E65-Q69 PolarHBondContact O-N 2.99Å |
| 66 | L | 94.3 | Very high | 94.5 | Very high | 96 Ų | 96 | 102.6 Ų | 102.6 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 174.1 | -177.9 | 66.6 | 0 | 0 | 0 | 111.6 | L62 V64 Q69 E70 | L62-L66 VanDerWaalsContact O-CB 3.29Å; L62-L66 WeakPolarHBondContact O-CB 3.44Å; L62-L66 PolarHBondContact O-N 3.11Å; V64-L66 VanDerWaalsContact C-N 3.33Å; V64-L66 PolarHBondContact O-N 3.36Å; L66-Q69 PolarHBondContact O-N 3.48Å; L66-E70 WeakPolarHBondContact O-CG 3.33Å; L66-E70 PolarHBondContact O-N 3.27Å |
| 67 | K | 94.6 | Very high | 94.5 | Very high | 111 Ų | 111 | 99.3 Ų | 99.3 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.3 | -38.7 | 179.8 | -167 | 71.2 | -146.7 | 159.4 | 0 | 112 | K63 V64 E65 E70 L71 | K63-K67 WeakPolarHBondContact O-CB 3.44Å; K63-K67 PolarHBondContact O-N 3.39Å; K63-K67 VanDerWaalsContact O-N 3.11Å; V64-K67 PolarHBondContact O-N 2.81Å; E65-K67 VanDerWaalsContact C-N 3.34Å; E65-K67 PolarHBondContact O-N 3.39Å; K67-E70 WeakPolarHBondContact CD-OE2 3.35Å; K67-E70 IonicContact NZ-OE2 3.92Å; K67-E70 PolarHBondContact NZ-OE2 2.85Å; K67-E70 PolarHBondContact O-N 3.21Å; K67-L71 HydrophobicContact CG-CD1 4.26Å; K67-L71 WeakPolarHBondContact O-CB 3.36Å; K67-L71 WeakPolarHBondContact O-CG 3.36Å; K67-L71 PolarHBondContact O-N 2.76Å |
| 68 | E | 94.4 | Very high | 94.5 | Very high | 124 Ų | 124 | 100.9 Ų | 100.9 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63 | -42.9 | 173.5 | -73.3 | 178 | 171.6 | 0 | 0 | 111 | V64 E65 L71 A72 | V64-E68 HydrophobicContact CG1-CG 4.29Å; V64-E68 WeakPolarHBondContact O-CG 3.45Å; V64-E68 PolarHBondContact O-N 3.19Å; E65-E68 PolarHBondContact O-N 2.84Å; E68-L71 PolarHBondContact O-N 3.16Å; E68-A72 VanDerWaalsContact O-CB 3.29Å; E68-A72 WeakPolarHBondContact O-CB 3.47Å; E68-A72 PolarHBondContact O-N 3.32Å |
| 69 | Q | 94.1 | Very high | 94.5 | Very high | 134 Ų | 134 | 101.1 Ų | 101.1 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.3 | -42.3 | 175.3 | -170.2 | 178.5 | 7.6 | 0 | 0 | 112.1 | E65 L66 A72 S73 | E65-Q69 WeakPolarHBondContact O-CB 3.48Å; E65-Q69 PolarHBondContact O-N 2.99Å; L66-Q69 PolarHBondContact O-N 3.48Å; Q69-A72 PolarHBondContact O-N 3.28Å; Q69-S73 WeakPolarHBondContact O-CB 3.19Å; Q69-S73 PolarHBondContact O-N 3.16Å; Q69-S73 PolarHBondContact O-OG 3.43Å |
| 70 | E | 93.4 | Very high | 94.6 | Very high | 85 Ų | 85 | 102.3 Ų | 102.3 | 40% | 0.397 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.3 | -50.4 | 174.1 | -77.3 | 177.2 | 176 | 0 | 0 | 111.3 | L66 K67 A72 S73 E74 | L66-E70 WeakPolarHBondContact O-CG 3.33Å; L66-E70 PolarHBondContact O-N 3.27Å; K67-E70 WeakPolarHBondContact CD-OE2 3.35Å; K67-E70 IonicContact NZ-OE2 3.92Å; K67-E70 PolarHBondContact NZ-OE2 2.85Å; K67-E70 PolarHBondContact O-N 3.21Å; E70-A72 PolarHBondContact O-N 3.35Å; E70-S73 PolarHBondContact O-N 3.29Å; E70-S73 PolarHBondContact O-OG 2.78Å; E70-E74 PolarHBondContact O-N 2.85Å |
| 71 | L | 94.9 | Very high | 94.5 | Very high | 90 Ų | 90 | 104.1 Ų | 104.1 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 178.3 | -76.1 | 162.7 | 0 | 0 | 0 | 111.7 | K67 E68 S73 E74 V75 | K67-L71 HydrophobicContact CG-CD1 4.26Å; K67-L71 WeakPolarHBondContact O-CB 3.36Å; K67-L71 WeakPolarHBondContact O-CG 3.36Å; K67-L71 PolarHBondContact O-N 2.76Å; E68-L71 PolarHBondContact O-N 3.16Å; L71-S73 VanDerWaalsContact C-N 3.33Å; L71-S73 PolarHBondContact O-N 3.05Å; L71-E74 PolarHBondContact O-N 3.22Å; L71-V75 WeakPolarHBondContact O-CG2 3.37Å; L71-V75 PolarHBondContact O-N 2.81Å |
| 72 | A | 94.6 | Very high | 94.6 | Very high | 57 Ų | 57 | 105.9 Ų | 105.9 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E68 Q69 E70 E74 V75 V76 | E68-A72 VanDerWaalsContact O-CB 3.29Å; E68-A72 WeakPolarHBondContact O-CB 3.47Å; E68-A72 PolarHBondContact O-N 3.32Å; Q69-A72 PolarHBondContact O-N 3.28Å; E70-A72 PolarHBondContact O-N 3.35Å; A72-E74 PolarHBondContact O-N 3.01Å; A72-V75 PolarHBondContact O-N 3.3Å; A72-V76 WeakPolarHBondContact O-CG2 3.33Å; A72-V76 PolarHBondContact O-N 3.45Å |
| 73 | S | 93.5 | Very high | 94.6 | Very high | 65 Ų | 65 | 106.7 Ų | 106.7 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 177.4 | 74.6 | 0 | 0 | 0 | 0 | 112.5 | Q69 E70 L71 V76 V77 | Q69-S73 WeakPolarHBondContact O-CB 3.19Å; Q69-S73 PolarHBondContact O-N 3.16Å; Q69-S73 PolarHBondContact O-OG 3.43Å; E70-S73 PolarHBondContact O-N 3.29Å; E70-S73 PolarHBondContact O-OG 2.78Å; L71-S73 VanDerWaalsContact C-N 3.33Å; L71-S73 PolarHBondContact O-N 3.05Å; S73-V76 PolarHBondContact O-N 3.21Å; S73-V77 WeakPolarHBondContact O-CG2 3.12Å; S73-V77 PolarHBondContact O-N 3.18Å |
| 74 | E | 94.1 | Very high | 94.6 | Very high | 132 Ų | 132 | 105.3 Ų | 105.3 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.6 | -42.4 | 175.7 | -171.6 | 179.7 | 175.6 | 0 | 0 | 111.4 | E70 L71 A72 V76 V77 K78 | E70-E74 PolarHBondContact O-N 2.85Å; L71-E74 PolarHBondContact O-N 3.22Å; A72-E74 PolarHBondContact O-N 3.01Å; E74-V76 VanDerWaalsContact C-N 3.34Å; E74-V76 PolarHBondContact O-N 2.86Å; E74-V77 PolarHBondContact O-N 3.02Å; E74-K78 WeakPolarHBondContact O-CB 3.44Å; E74-K78 PolarHBondContact O-N 3.41Å |
| 75 | V | 95.2 | Very high | 94.5 | Very high | 83 Ų | 83 | 105.3 Ų | 105.3 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 174.5 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | L71 A72 K78 N79 | L71-V75 WeakPolarHBondContact O-CG2 3.37Å; L71-V75 PolarHBondContact O-N 2.81Å; A72-V75 PolarHBondContact O-N 3.3Å; V75-K78 PolarHBondContact O-N 2.94Å; V75-N79 WeakPolarHBondContact O-CB 3.4Å; V75-N79 VanDerWaalsContact O-CG 3.26Å; V75-N79 PolarHBondContact O-N 3.04Å; V75-N79 PolarHBondContact O-ND2 3.29Å |
| 76 | V | 95 | Very high | 94.5 | Very high | 96 Ų | 96 | 104.6 Ų | 104.6 | 58% | 0.582 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.4 | -46.8 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 111 | A72 S73 E74 K78 N79 L80 | A72-V76 WeakPolarHBondContact O-CG2 3.33Å; A72-V76 PolarHBondContact O-N 3.45Å; S73-V76 PolarHBondContact O-N 3.21Å; E74-V76 VanDerWaalsContact C-N 3.34Å; E74-V76 PolarHBondContact O-N 2.86Å; V76-K78 PolarHBondContact O-N 3.11Å; V76-N79 PolarHBondContact O-N 2.82Å; V76-L80 WeakPolarHBondContact O-CB 3.24Å; V76-L80 PolarHBondContact O-N 3.35Å |
| 77 | V | 94.2 | Very high | 94.6 | Very high | 71 Ų | 71 | 105 Ų | 105 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 177.6 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | S73 E74 L80 R81 | S73-V77 WeakPolarHBondContact O-CG2 3.12Å; S73-V77 PolarHBondContact O-N 3.18Å; E74-V77 PolarHBondContact O-N 3.02Å; V77-L80 PolarHBondContact O-N 3.3Å; V77-R81 WeakPolarHBondContact O-CG 3.26Å; V77-R81 PolarHBondContact O-N 2.86Å |
| 78 | K | 95 | Very high | 94.6 | Very high | 156 Ų | 156 | 102.2 Ų | 102.2 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -45.1 | 177.2 | -173 | 178.5 | 179.6 | -179.5 | 0 | 111.6 | E74 V75 V76 L80 R81 L82 | E74-K78 WeakPolarHBondContact O-CB 3.44Å; E74-K78 PolarHBondContact O-N 3.41Å; V75-K78 PolarHBondContact O-N 2.94Å; V76-K78 PolarHBondContact O-N 3.11Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L80 PolarHBondContact O-N 2.95Å; K78-R81 PolarHBondContact O-N 2.82Å; K78-L82 PolarHBondContact O-N 3.3Å |
| 79 | N | 94.8 | Very high | 94.6 | Very high | 85 Ų | 85 | 99.4 Ų | 99.4 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 176.6 | -74.4 | -21.8 | 0 | 0 | 0 | 111.9 | V75 V76 L82 K83 | V75-N79 WeakPolarHBondContact O-CB 3.4Å; V75-N79 VanDerWaalsContact O-CG 3.26Å; V75-N79 PolarHBondContact O-N 3.04Å; V75-N79 PolarHBondContact O-ND2 3.29Å; V76-N79 PolarHBondContact O-N 2.82Å; N79-L82 PolarHBondContact O-N 2.91Å; N79-K83 WeakPolarHBondContact O-CG 3.24Å; N79-K83 PolarHBondContact O-N 3.5Å |
| 80 | L | 95.1 | Very high | 94.7 | Very high | 122 Ų | 122 | 100.7 Ų | 100.7 | 64% | 0.639 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.2 | -43.6 | 176 | -172.3 | 66.4 | 0 | 0 | 0 | 111.5 | V76 V77 K78 L82 K83 H84 | V76-L80 WeakPolarHBondContact O-CB 3.24Å; V76-L80 PolarHBondContact O-N 3.35Å; V77-L80 PolarHBondContact O-N 3.3Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L80 PolarHBondContact O-N 2.95Å; L80-L82 VanDerWaalsContact C-N 3.35Å; L80-L82 PolarHBondContact O-N 3.47Å; L80-K83 PolarHBondContact O-N 3.41Å; L80-H84 WeakPolarHBondContact O-CB 3.39Å; L80-H84 PolarHBondContact O-N 2.95Å |
| 81 | R | 93.7 | Very high | 94.8 | Very high | 180 Ų | 180 | 101.3 Ų | 101.3 | 68% | 0.679 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.7 | -40.4 | 175.3 | -73.1 | 178.8 | 178.5 | -178.3 | 1.2 | 112.3 | V77 K78 H84 T85 | V77-R81 WeakPolarHBondContact O-CG 3.26Å; V77-R81 PolarHBondContact O-N 2.86Å; K78-R81 PolarHBondContact O-N 2.82Å; R81-H84 PolarHBondContact O-N 3.25Å; R81-T85 WeakPolarHBondContact O-CB 3.31Å; R81-T85 PolarHBondContact O-N 3.2Å; R81-T85 PolarHBondContact O-OG1 3.33Å |
| 82 | L | 95.5 | Very high | 94.8 | Very high | 95 Ų | 95 | 104.9 Ų | 104.9 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.1 | -50.4 | 176.7 | -174.6 | 67.8 | 0 | 0 | 0 | 110.7 | K78 N79 L80 H84 T85 E86 | K78-L82 PolarHBondContact O-N 3.3Å; N79-L82 PolarHBondContact O-N 2.91Å; L80-L82 VanDerWaalsContact C-N 3.35Å; L80-L82 PolarHBondContact O-N 3.47Å; L82-H84 VanDerWaalsContact C-N 3.31Å; L82-H84 PolarHBondContact O-N 2.82Å; L82-T85 WeakPolarHBondContact O-CB 3.28Å; L82-T85 PolarHBondContact O-N 3.19Å; L82-E86 WeakPolarHBondContact O-CG 3.49Å; L82-E86 PolarHBondContact O-N 2.98Å |
| 83 | K | 95.4 | Very high | 94.8 | Very high | 126 Ų | 126 | 106.4 Ų | 106.4 | 55% | 0.548 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -56.5 | -44.3 | 175.8 | -76.2 | -175 | 176.8 | -173.4 | 0 | 112.2 | N79 L80 T85 E86 E87 | N79-K83 WeakPolarHBondContact O-CG 3.24Å; N79-K83 PolarHBondContact O-N 3.5Å; L80-K83 PolarHBondContact O-N 3.41Å; K83-T85 VanDerWaalsContact C-N 3.3Å; K83-T85 PolarHBondContact O-N 2.95Å; K83-E86 WeakPolarHBondContact O-CB 3.43Å; K83-E86 PolarHBondContact O-N 2.92Å; K83-E87 WeakPolarHBondContact O-CG 3.43Å; K83-E87 PolarHBondContact O-N 3.44Å |
| 84 | H | 93.9 | Very high | 94.9 | Very high | 104 Ų | 104 | 105.9 Ų | 105.9 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 177.2 | -170.3 | 57.4 | 0 | 0 | 0 | 112.3 | L80 R81 L82 E87 I88 | L80-H84 WeakPolarHBondContact O-CB 3.39Å; L80-H84 PolarHBondContact O-N 2.95Å; R81-H84 PolarHBondContact O-N 3.25Å; L82-H84 VanDerWaalsContact C-N 3.31Å; L82-H84 PolarHBondContact O-N 2.82Å; H84-E87 PolarHBondContact O-N 3.42Å; H84-I88 WeakPolarHBondContact NE2-CD1 3.46Å; H84-I88 VanDerWaalsContact O-CG1 3.3Å; H84-I88 WeakPolarHBondContact O-CG1 3.29Å; H84-I88 PolarHBondContact O-N 3.01Å |
| 85 | T | 93.9 | Very high | 95 | Very high | 81 Ų | 81 | 105.8 Ų | 105.8 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 176.4 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | R81 L82 K83 T89 | R81-T85 WeakPolarHBondContact O-CB 3.31Å; R81-T85 PolarHBondContact O-N 3.2Å; R81-T85 PolarHBondContact O-OG1 3.33Å; L82-T85 WeakPolarHBondContact O-CB 3.28Å; L82-T85 PolarHBondContact O-N 3.19Å; K83-T85 VanDerWaalsContact C-N 3.3Å; K83-T85 PolarHBondContact O-N 2.95Å; T85-T89 WeakPolarHBondContact O-CB 3.48Å; T85-T89 PolarHBondContact O-N 3.44Å; T85-T89 PolarHBondContact O-OG1 3.38Å |
| 86 | E | 95.4 | Very high | 95 | Very high | 104 Ų | 104 | 106.4 Ų | 106.4 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 174 | -70.4 | 172.2 | 176.3 | 0 | 0 | 111.6 | L82 K83 T89 R90 | L82-E86 WeakPolarHBondContact O-CG 3.49Å; L82-E86 PolarHBondContact O-N 2.98Å; K83-E86 WeakPolarHBondContact O-CB 3.43Å; K83-E86 PolarHBondContact O-N 2.92Å; E86-T89 PolarHBondContact O-N 3.41Å; E86-R90 WeakPolarHBondContact O-CB 3.45Å; E86-R90 PolarHBondContact O-N 3.22Å |
| 87 | E | 95.1 | Very high | 95.1 | Very high | 103 Ų | 103 | 108 Ų | 108 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 176.6 | -74.7 | 172.5 | -176.6 | 0 | 0 | 112.1 | K83 H84 T89 R90 M91 | K83-E87 WeakPolarHBondContact O-CG 3.43Å; K83-E87 PolarHBondContact O-N 3.44Å; H84-E87 PolarHBondContact O-N 3.42Å; E87-T89 VanDerWaalsContact C-N 3.3Å; E87-T89 PolarHBondContact O-N 2.86Å; E87-R90 PolarHBondContact O-N 3.44Å; E87-M91 WeakPolarHBondContact O-CG 3.42Å; E87-M91 PolarHBondContact O-N 3.45Å |
| 88 | I | 94.6 | Very high | 95.1 | Very high | 53 Ų | 53 | 109 Ų | 109 | 27% | 0.272 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 174.1 | -72.6 | 168.6 | 0 | 0 | 0 | 110.5 | H84 M91 R92 | H84-I88 WeakPolarHBondContact NE2-CD1 3.46Å; H84-I88 VanDerWaalsContact O-CG1 3.3Å; H84-I88 WeakPolarHBondContact O-CG1 3.29Å; H84-I88 PolarHBondContact O-N 3.01Å; I88-M91 HydrophobicContact CG1-CE 4.4Å; I88-M91 PolarHBondContact O-N 3.29Å; I88-R92 HydrophobicContact CG2-CG 4.47Å; I88-R92 WeakPolarHBondContact O-CB 3.33Å; I88-R92 WeakPolarHBondContact O-CG 3.37Å; I88-R92 PolarHBondContact O-N 2.96Å |
| 89 | T | 95.3 | Very high | 95.1 | Very high | 65 Ų | 65 | 105.2 Ų | 105.2 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | -179.6 | -55.6 | 0 | 0 | 0 | 0 | 111 | T85 E86 E87 R92 N93 | T85-T89 WeakPolarHBondContact O-CB 3.48Å; T85-T89 PolarHBondContact O-N 3.44Å; T85-T89 PolarHBondContact O-OG1 3.38Å; E86-T89 PolarHBondContact O-N 3.41Å; E87-T89 VanDerWaalsContact C-N 3.3Å; E87-T89 PolarHBondContact O-N 2.86Å; T89-R92 PolarHBondContact O-N 2.81Å; T89-N93 VanDerWaalsContact O-CG 3.26Å; T89-N93 PolarHBondContact O-N 2.9Å; T89-N93 PolarHBondContact O-ND2 3.33Å |
| 90 | R | 96.6 | Very high | 95.1 | Very high | 162 Ų | 162 | 108.6 Ų | 108.6 | 61% | 0.611 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.3 | -49.4 | 174.9 | -171.8 | -176.2 | -63.1 | 168.8 | 1.8 | 111.3 | E86 E87 R92 N93 D94 | E86-R90 WeakPolarHBondContact O-CB 3.45Å; E86-R90 PolarHBondContact O-N 3.22Å; E87-R90 PolarHBondContact O-N 3.44Å; R90-R92 VanDerWaalsContact C-N 3.34Å; R90-R92 PolarHBondContact O-N 2.67Å; R90-N93 PolarHBondContact O-N 2.88Å; R90-D94 PolarHBondContact O-N 2.87Å |
| 91 | M | 94.7 | Very high | 95.2 | Very high | 98 Ų | 98 | 108.2 Ų | 108.2 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 177.8 | -73.1 | -172.4 | -69.8 | 0 | 0 | 112.1 | E87 I88 D94 F95 | E87-M91 WeakPolarHBondContact O-CG 3.42Å; E87-M91 PolarHBondContact O-N 3.45Å; I88-M91 HydrophobicContact CG1-CE 4.4Å; I88-M91 PolarHBondContact O-N 3.29Å; M91-D94 PolarHBondContact O-N 3.43Å; M91-F95 HydrophobicContact CB-CE2 4.48Å; M91-F95 WeakPolarHBondContact O-CD2 3.37Å; M91-F95 PolarHBondContact O-N 3.38Å |
| 92 | R | 94.8 | Very high | 95.2 | Very high | 164 Ų | 164 | 104.1 Ų | 104.1 | 62% | 0.619 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59 | -47.6 | 174.9 | -76.8 | 177.2 | 178.2 | -179.5 | -0.3 | 111.7 | I88 T89 R90 D94 F95 E96 | I88-R92 HydrophobicContact CG2-CG 4.47Å; I88-R92 WeakPolarHBondContact O-CB 3.33Å; I88-R92 WeakPolarHBondContact O-CG 3.37Å; I88-R92 PolarHBondContact O-N 2.96Å; T89-R92 PolarHBondContact O-N 2.81Å; R90-R92 VanDerWaalsContact C-N 3.34Å; R90-R92 PolarHBondContact O-N 2.67Å; R92-D94 VanDerWaalsContact C-N 3.32Å; R92-D94 PolarHBondContact O-N 3.25Å; R92-F95 PolarHBondContact O-N 2.93Å; R92-E96 WeakPolarHBondContact O-CB 3.46Å; R92-E96 WeakPolarHBondContact O-CG 3.31Å; R92-E96 PolarHBondContact O-N 3.2Å |
| 93 | N | 95.6 | Very high | 95.1 | Very high | 90 Ų | 90 | 104.9 Ų | 104.9 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 178 | -69.9 | -18.1 | 0 | 0 | 0 | 112.1 | T89 R90 R97 | T89-N93 VanDerWaalsContact O-CG 3.26Å; T89-N93 PolarHBondContact O-N 2.9Å; T89-N93 PolarHBondContact O-ND2 3.33Å; R90-N93 PolarHBondContact O-N 2.88Å; N93-R97 WeakPolarHBondContact O-CB 3.43Å; N93-R97 PolarHBondContact O-N 2.85Å |
| 94 | D | 95.6 | Very high | 95.2 | Very high | 54 Ų | 54 | 101.7 Ų | 101.7 | 29% | 0.289 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 176.1 | -77.3 | -37.3 | 0 | 0 | 0 | 111.7 | R90 M91 R92 R97 Q98 | R90-D94 PolarHBondContact O-N 2.87Å; M91-D94 PolarHBondContact O-N 3.43Å; R92-D94 VanDerWaalsContact C-N 3.32Å; R92-D94 PolarHBondContact O-N 3.25Å; D94-R97 PolarHBondContact O-N 2.97Å; D94-R97 IonicContact OD1-CZ 2.72Å; D94-R97 IonicContact OD1-NH1 3.3Å; D94-R97 IonicContact OD1-NH2 3.52Å; D94-R97 PolarHBondContact OD1-NH2 3.29Å; D94-Q98 WeakPolarHBondContact O-CG 3.34Å; D94-Q98 PolarHBondContact O-N 3.4Å |
| 95 | F | 95.5 | Very high | 95.3 | Very high | 130 Ų | 130 | 102.8 Ų | 102.8 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.2 | -42.1 | 175.5 | -77.4 | -57.7 | 0 | 0 | 0 | 112.2 | M91 R92 R97 Q98 V99 | M91-F95 HydrophobicContact CB-CE2 4.48Å; M91-F95 WeakPolarHBondContact O-CD2 3.37Å; M91-F95 PolarHBondContact O-N 3.38Å; R92-F95 PolarHBondContact O-N 2.93Å; F95-R97 VanDerWaalsContact C-N 3.3Å; F95-R97 PolarHBondContact O-N 2.98Å; F95-Q98 PolarHBondContact O-N 3.48Å; F95-V99 WeakPolarHBondContact O-CG2 3.36Å; F95-V99 PolarHBondContact O-N 3.37Å |
| 96 | E | 95 | Very high | 95.3 | Very high | 95 Ų | 95 | 105.6 Ų | 105.6 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 174.3 | -79.1 | -173.8 | -157.2 | 0 | 0 | 111.8 | R92 V99 R100 | R92-E96 WeakPolarHBondContact O-CB 3.46Å; R92-E96 WeakPolarHBondContact O-CG 3.31Å; R92-E96 PolarHBondContact O-N 3.2Å; E96-V99 PolarHBondContact O-N 3.39Å; E96-R100 VanDerWaalsContact O-CG 3.31Å; E96-R100 WeakPolarHBondContact O-CG 3.49Å; E96-R100 PolarHBondContact O-N 3.29Å; E96-R100 IonicContact OE2-CZ 2.66Å; E96-R100 IonicContact OE2-NH2 3.25Å; E96-R100 PolarHBondContact OE2-NH2 2.91Å |
| 97 | R | 96.4 | Very high | 95.3 | Very high | 131 Ų | 131 | 106.1 Ų | 106.1 | 49% | 0.494 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 174.5 | -176.2 | -179.4 | 65.5 | -140.8 | -16.2 | 110.9 | N93 D94 F95 V99 R100 E101 | N93-R97 WeakPolarHBondContact O-CB 3.43Å; N93-R97 PolarHBondContact O-N 2.85Å; D94-R97 PolarHBondContact O-N 2.97Å; D94-R97 IonicContact OD1-CZ 2.72Å; D94-R97 IonicContact OD1-NH1 3.3Å; D94-R97 IonicContact OD1-NH2 3.52Å; D94-R97 PolarHBondContact OD1-NH2 3.29Å; F95-R97 VanDerWaalsContact C-N 3.3Å; F95-R97 PolarHBondContact O-N 2.98Å; R97-V99 VanDerWaalsContact C-N 3.33Å; R97-V99 PolarHBondContact O-N 3.01Å; R97-R100 PolarHBondContact O-N 3.47Å; R97-E101 HydrophobicContact CG-CG 4.42Å; R97-E101 WeakPolarHBondContact CG-OE1 3.43Å; R97-E101 IonicContact NE-OE1 2.67Å; R97-E101 WeakPolarHBondContact O-CG 3.37Å; R97-E101 PolarHBondContact O-N 3.47Å |
| 98 | Q | 95.4 | Very high | 95.4 | Very high | 92 Ų | 92 | 108 Ų | 108 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60 | -42.5 | 178.8 | -73.6 | 176.7 | 14.2 | 0 | 0 | 112.1 | D94 F95 E101 I102 | D94-Q98 WeakPolarHBondContact O-CG 3.34Å; D94-Q98 PolarHBondContact O-N 3.4Å; F95-Q98 PolarHBondContact O-N 3.48Å; Q98-E101 PolarHBondContact O-N 3.06Å; Q98-I102 WeakPolarHBondContact O-CB 3.45Å; Q98-I102 VanDerWaalsContact O-CG1 3.25Å; Q98-I102 WeakPolarHBondContact O-CG1 3.43Å; Q98-I102 PolarHBondContact O-N 2.97Å |
| 99 | V | 94.6 | Very high | 95.4 | Very high | 75 Ų | 75 | 110.6 Ų | 110.6 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -50 | 176.1 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | F95 E96 R97 E101 I102 E103 | F95-V99 WeakPolarHBondContact O-CG2 3.36Å; F95-V99 PolarHBondContact O-N 3.37Å; E96-V99 PolarHBondContact O-N 3.39Å; R97-V99 VanDerWaalsContact C-N 3.33Å; R97-V99 PolarHBondContact O-N 3.01Å; V99-E101 VanDerWaalsContact C-N 3.31Å; V99-E101 PolarHBondContact O-N 2.86Å; V99-I102 PolarHBondContact O-N 3.3Å; V99-I102 VanDerWaalsContact O-N 3.16Å; V99-E103 HydrophobicContact CG1-CG 4.34Å; V99-E103 WeakPolarHBondContact O-CG 3.31Å; V99-E103 PolarHBondContact O-N 3.5Å |
| 100 | R | 95.5 | Very high | 95.3 | Very high | 156 Ų | 156 | 112.2 Ų | 112.2 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.9 | -39 | 178.7 | -69.2 | 178.3 | -151.4 | 169.9 | 8.1 | 112.6 | E96 R97 A104 | E96-R100 VanDerWaalsContact O-CG 3.31Å; E96-R100 WeakPolarHBondContact O-CG 3.49Å; E96-R100 PolarHBondContact O-N 3.29Å; E96-R100 IonicContact OE2-CZ 2.66Å; E96-R100 IonicContact OE2-NH2 3.25Å; E96-R100 PolarHBondContact OE2-NH2 2.91Å; R97-R100 PolarHBondContact O-N 3.47Å; R100-A104 VanDerWaalsContact O-CB 3.25Å; R100-A104 WeakPolarHBondContact O-CB 3.37Å; R100-A104 PolarHBondContact O-N 3.34Å |
| 101 | E | 95.9 | Very high | 95.3 | Very high | 114 Ų | 114 | 111.1 Ų | 111.1 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 176.5 | -76 | 175.1 | -169.2 | 0 | 0 | 112 | R97 Q98 V99 K105 | R97-E101 HydrophobicContact CG-CG 4.42Å; R97-E101 WeakPolarHBondContact CG-OE1 3.43Å; R97-E101 IonicContact NE-OE1 2.67Å; R97-E101 WeakPolarHBondContact O-CG 3.37Å; R97-E101 PolarHBondContact O-N 3.47Å; Q98-E101 PolarHBondContact O-N 3.06Å; V99-E101 VanDerWaalsContact C-N 3.31Å; V99-E101 PolarHBondContact O-N 2.86Å; E101-K105 VanDerWaalsContact O-CB 3.25Å; E101-K105 WeakPolarHBondContact O-CB 3.34Å; E101-K105 PolarHBondContact O-N 3.48Å |
| 102 | I | 95.2 | Very high | 95.3 | Very high | 94 Ų | 94 | 111.2 Ų | 111.2 | 48% | 0.482 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -50.1 | 176.1 | -71.7 | 169.6 | 0 | 0 | 0 | 110.2 | Q98 V99 A104 K105 Y106 | Q98-I102 WeakPolarHBondContact O-CB 3.45Å; Q98-I102 VanDerWaalsContact O-CG1 3.25Å; Q98-I102 WeakPolarHBondContact O-CG1 3.43Å; Q98-I102 PolarHBondContact O-N 2.97Å; V99-I102 PolarHBondContact O-N 3.3Å; V99-I102 VanDerWaalsContact O-N 3.16Å; I102-A104 PolarHBondContact O-N 2.93Å; I102-K105 WeakPolarHBondContact O-CB 3.44Å; I102-K105 PolarHBondContact O-N 2.83Å; I102-Y106 HydrophobicContact CG2-CD2 3.69Å; I102-Y106 HydrophobicContact CG2-CE2 3.78Å; I102-Y106 VanDerWaalsContact O-CD2 3.25Å; I102-Y106 WeakPolarHBondContact O-CD2 3.48Å; I102-Y106 PolarHBondContact O-N 3.07Å |
| 103 | E | 93.5 | Very high | 95.4 | Very high | 111 Ų | 111 | 107.7 Ų | 107.7 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -55.8 | -52.3 | 177.2 | -72.7 | 175.4 | 158.6 | 0 | 0 | 110.9 | V99 K105 Y106 D107 | V99-E103 HydrophobicContact CG1-CG 4.34Å; V99-E103 WeakPolarHBondContact O-CG 3.31Å; V99-E103 PolarHBondContact O-N 3.5Å; E103-K105 VanDerWaalsContact C-N 3.29Å; E103-K105 PolarHBondContact O-N 2.92Å; E103-Y106 PolarHBondContact O-N 3.26Å; E103-Y106 VanDerWaalsContact O-N 3.11Å; E103-D107 WeakPolarHBondContact O-CB 3.48Å; E103-D107 PolarHBondContact O-N 3.44Å |
| 104 | A | 96.5 | Very high | 95.3 | Very high | 60 Ų | 60 | 110.9 Ų | 110.9 | 50% | 0.496 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.7 | -37.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R100 I102 K108 | R100-A104 VanDerWaalsContact O-CB 3.25Å; R100-A104 WeakPolarHBondContact O-CB 3.37Å; R100-A104 PolarHBondContact O-N 3.34Å; I102-A104 PolarHBondContact O-N 2.93Å; A104-K108 WeakPolarHBondContact O-CB 3.42Å; A104-K108 PolarHBondContact O-N 2.95Å |
| 105 | K | 96.8 | Very high | 95.4 | Very high | 126 Ų | 126 | 112.5 Ų | 112.5 | 55% | 0.548 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -43.8 | 176.1 | -178.7 | -179 | -179.6 | 179.5 | 0 | 111.6 | E101 I102 E103 K109 | E101-K105 VanDerWaalsContact O-CB 3.25Å; E101-K105 WeakPolarHBondContact O-CB 3.34Å; E101-K105 PolarHBondContact O-N 3.48Å; I102-K105 WeakPolarHBondContact O-CB 3.44Å; I102-K105 PolarHBondContact O-N 2.83Å; E103-K105 VanDerWaalsContact C-N 3.29Å; E103-K105 PolarHBondContact O-N 2.92Å; K105-K109 WeakPolarHBondContact O-CG 3.39Å; K105-K109 PolarHBondContact O-N 3.47Å |
| 106 | Y | 93.8 | Very high | 95.4 | Very high | 141 Ų | 141 | 112.6 Ų | 112.6 | 55% | 0.553 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -74.3 | -36.3 | -179.9 | -80.5 | -73.5 | 0 | 0 | 0 | 112.5 | I102 E103 K108 K109 M110 | I102-Y106 HydrophobicContact CG2-CD2 3.69Å; I102-Y106 HydrophobicContact CG2-CE2 3.78Å; I102-Y106 VanDerWaalsContact O-CD2 3.25Å; I102-Y106 WeakPolarHBondContact O-CD2 3.48Å; I102-Y106 PolarHBondContact O-N 3.07Å; E103-Y106 PolarHBondContact O-N 3.26Å; E103-Y106 VanDerWaalsContact O-N 3.11Å; Y106-K108 PolarHBondContact O-N 3.48Å; Y106-K109 HydrophobicContact CD1-CD 4.49Å; Y106-K109 PolarHBondContact O-N 2.91Å; Y106-M110 WeakPolarHBondContact O-CB 3.35Å; Y106-M110 PolarHBondContact O-N 2.94Å |
| 107 | D | 94.9 | Very high | 95.4 | Very high | 115 Ų | 115 | 112.7 Ų | 112.7 | 62% | 0.615 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.5 | -44.1 | 172.1 | -78.9 | -16.8 | 0 | 0 | 0 | 111.5 | E103 K109 M110 K111 | E103-D107 WeakPolarHBondContact O-CB 3.48Å; E103-D107 PolarHBondContact O-N 3.44Å; D107-K109 PolarHBondContact O-N 2.88Å; D107-M110 PolarHBondContact O-N 3.24Å; D107-K111 WeakPolarHBondContact O-CB 3.36Å; D107-K111 PolarHBondContact O-N 3.01Å |
| 108 | K | 96.7 | Very high | 95.3 | Very high | 143 Ų | 143 | 110.5 Ų | 110.5 | 62% | 0.622 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.7 | -44 | 174.7 | -173.2 | 175.6 | -179.3 | 178.3 | 0 | 111.6 | A104 Y106 K111 M112 | A104-K108 WeakPolarHBondContact O-CB 3.42Å; A104-K108 PolarHBondContact O-N 2.95Å; Y106-K108 PolarHBondContact O-N 3.48Å; K108-K111 PolarHBondContact O-N 3.03Å; K108-M112 HydrophobicContact CG-CE 4.46Å; K108-M112 HydrophobicContact CG-SD 4.41Å; K108-M112 VanDerWaalsContact O-CG 3.31Å; K108-M112 WeakPolarHBondContact O-CG 3.47Å; K108-M112 PolarHBondContact O-N 3Å |
| 109 | K | 95.3 | Very high | 95.4 | Very high | 106 Ų | 106 | 111.5 Ų | 111.5 | 46% | 0.461 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 176 | -79.5 | -176.1 | 174.2 | -168.5 | 0 | 112.1 | K105 Y106 D107 K111 M112 L113 | K105-K109 WeakPolarHBondContact O-CG 3.39Å; K105-K109 PolarHBondContact O-N 3.47Å; Y106-K109 HydrophobicContact CD1-CD 4.49Å; Y106-K109 PolarHBondContact O-N 2.91Å; D107-K109 PolarHBondContact O-N 2.88Å; K109-K111 VanDerWaalsContact C-N 3.34Å; K109-K111 PolarHBondContact O-N 2.83Å; K109-M112 HydrophobicContact CG-CE 4.31Å; K109-M112 PolarHBondContact O-N 3.39Å; K109-L113 WeakPolarHBondContact O-CB 3.48Å; K109-L113 PolarHBondContact O-N 3.49Å |
| 110 | M | 93 | Very high | 95.4 | Very high | 100 Ų | 100 | 115.5 Ų | 115.5 | 49% | 0.493 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 178.6 | -173.5 | 66.2 | 78.5 | 0 | 0 | 111 | Y106 D107 L113 R114 | Y106-M110 WeakPolarHBondContact O-CB 3.35Å; Y106-M110 PolarHBondContact O-N 2.94Å; D107-M110 PolarHBondContact O-N 3.24Å; M110-L113 PolarHBondContact O-N 2.98Å; M110-R114 WeakPolarHBondContact O-CG 3.36Å; M110-R114 PolarHBondContact O-N 2.87Å; M110-R114 VanDerWaalsContact O-N 3.08Å |
| 111 | K | 96.3 | Very high | 95.4 | Very high | 138 Ų | 138 | 115.8 Ų | 115.8 | 60% | 0.6 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.3 | -48.6 | 175.8 | -173.1 | 176.8 | 178.3 | -179.8 | 0 | 112 | D107 K108 K109 L113 R114 D115 | D107-K111 WeakPolarHBondContact O-CB 3.36Å; D107-K111 PolarHBondContact O-N 3.01Å; K108-K111 PolarHBondContact O-N 3.03Å; K109-K111 VanDerWaalsContact C-N 3.34Å; K109-K111 PolarHBondContact O-N 2.83Å; K111-L113 VanDerWaalsContact C-N 3.31Å; K111-L113 PolarHBondContact O-N 2.94Å; K111-R114 PolarHBondContact O-N 3.42Å; K111-D115 VanDerWaalsContact O-CG 3.3Å; K111-D115 PolarHBondContact O-N 2.95Å |
| 112 | M | 95.8 | Very high | 95.4 | Very high | 100 Ų | 100 | 117.2 Ų | 117.2 | 49% | 0.493 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 178 | -71.8 | -173.4 | -49.2 | 0 | 0 | 112.1 | K108 K109 R114 D115 E116 | K108-M112 HydrophobicContact CG-CE 4.46Å; K108-M112 HydrophobicContact CG-SD 4.41Å; K108-M112 VanDerWaalsContact O-CG 3.31Å; K108-M112 WeakPolarHBondContact O-CG 3.47Å; K108-M112 PolarHBondContact O-N 3Å; K109-M112 HydrophobicContact CG-CE 4.31Å; K109-M112 PolarHBondContact O-N 3.39Å; M112-R114 PolarHBondContact O-N 3.07Å; M112-D115 PolarHBondContact O-N 3.32Å; M112-E116 WeakPolarHBondContact O-CB 3.49Å; M112-E116 PolarHBondContact O-N 3.38Å |
| 113 | L | 95.1 | Very high | 95.4 | Very high | 90 Ų | 90 | 116 Ų | 116 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 178.1 | -177.1 | 64 | 0 | 0 | 0 | 111.9 | K109 M110 K111 E116 L117 | K109-L113 WeakPolarHBondContact O-CB 3.48Å; K109-L113 PolarHBondContact O-N 3.49Å; M110-L113 PolarHBondContact O-N 2.98Å; K111-L113 VanDerWaalsContact C-N 3.31Å; K111-L113 PolarHBondContact O-N 2.94Å; L113-E116 PolarHBondContact O-N 3.09Å; L113-L117 HydrophobicContact CD1-CD1 4.4Å; L113-L117 HydrophobicContact CD1-CG 4.41Å; L113-L117 HydrophobicContact CG-CD1 4.17Å; L113-L117 WeakPolarHBondContact O-CB 3.36Å; L113-L117 VanDerWaalsContact O-CG 3.26Å; L113-L117 WeakPolarHBondContact O-CG 3.4Å; L113-L117 PolarHBondContact O-N 3.37Å |
| 114 | R | 94.9 | Very high | 95.5 | Very high | 158 Ų | 158 | 115.2 Ų | 115.2 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.9 | -47.9 | 174.2 | -73.1 | 177.4 | -172.7 | 174.6 | 2.9 | 111.2 | M110 K111 M112 E116 L117 D118 | M110-R114 WeakPolarHBondContact O-CG 3.36Å; M110-R114 PolarHBondContact O-N 2.87Å; M110-R114 VanDerWaalsContact O-N 3.08Å; K111-R114 PolarHBondContact O-N 3.42Å; M112-R114 PolarHBondContact O-N 3.07Å; R114-E116 VanDerWaalsContact C-N 3.29Å; R114-E116 PolarHBondContact O-N 2.93Å; R114-L117 PolarHBondContact O-N 3.44Å; R114-D118 WeakPolarHBondContact O-CB 3.5Å; R114-D118 PolarHBondContact O-N 3.44Å |
| 115 | D | 96.3 | Very high | 95.4 | Very high | 87 Ų | 87 | 116.5 Ų | 116.5 | 47% | 0.465 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 179.4 | -66 | -20.5 | 0 | 0 | 0 | 111.3 | K111 M112 L119 | K111-D115 VanDerWaalsContact O-CG 3.3Å; K111-D115 PolarHBondContact O-N 2.95Å; M112-D115 PolarHBondContact O-N 3.32Å; D115-L119 VanDerWaalsContact O-CB 3.3Å; D115-L119 WeakPolarHBondContact O-CB 3.45Å; D115-L119 PolarHBondContact O-N 3Å |
| 116 | E | 95.9 | Very high | 95.3 | Very high | 132 Ų | 132 | 115.7 Ų | 115.7 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.9 | -46.7 | 176.2 | -175 | -179.1 | 174.9 | 0 | 0 | 112.2 | M112 L113 R114 L119 R120 | M112-E116 WeakPolarHBondContact O-CB 3.49Å; M112-E116 PolarHBondContact O-N 3.38Å; L113-E116 PolarHBondContact O-N 3.09Å; R114-E116 VanDerWaalsContact C-N 3.29Å; R114-E116 PolarHBondContact O-N 2.93Å; E116-L119 PolarHBondContact O-N 3.1Å; E116-R120 WeakPolarHBondContact O-CB 3.5Å; E116-R120 PolarHBondContact O-N 3.39Å |
| 117 | L | 94.9 | Very high | 95.4 | Very high | 98 Ų | 98 | 114 Ų | 114 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 177.7 | -71.3 | 173.2 | 0 | 0 | 0 | 111.8 | L113 R114 R120 R121 | L113-L117 HydrophobicContact CD1-CD1 4.4Å; L113-L117 HydrophobicContact CD1-CG 4.41Å; L113-L117 HydrophobicContact CG-CD1 4.17Å; L113-L117 WeakPolarHBondContact O-CB 3.36Å; L113-L117 VanDerWaalsContact O-CG 3.26Å; L113-L117 WeakPolarHBondContact O-CG 3.4Å; L113-L117 PolarHBondContact O-N 3.37Å; R114-L117 PolarHBondContact O-N 3.44Å; L117-R120 PolarHBondContact O-N 2.91Å; L117-R121 WeakPolarHBondContact O-CB 3.41Å; L117-R121 PolarHBondContact O-N 3.26Å |
| 118 | D | 95.1 | Very high | 95.4 | Very high | 84 Ų | 84 | 111.9 Ų | 111.9 | 45% | 0.449 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 176.1 | -82.5 | -17.8 | 0 | 0 | 0 | 111.8 | R114 R121 K122 | R114-D118 WeakPolarHBondContact O-CB 3.5Å; R114-D118 PolarHBondContact O-N 3.44Å; D118-R121 PolarHBondContact O-N 3.39Å; D118-K122 VanDerWaalsContact O-CG 3.31Å; D118-K122 WeakPolarHBondContact O-CG 3.35Å; D118-K122 PolarHBondContact O-N 3.4Å |
| 119 | L | 96.7 | Very high | 95.3 | Very high | 113 Ų | 113 | 110.2 Ų | 110.2 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -48.1 | 174.6 | -177.9 | 62.4 | 0 | 0 | 0 | 110.7 | D115 E116 R121 K122 T123 | D115-L119 VanDerWaalsContact O-CB 3.3Å; D115-L119 WeakPolarHBondContact O-CB 3.45Å; D115-L119 PolarHBondContact O-N 3Å; E116-L119 PolarHBondContact O-N 3.1Å; L119-R121 VanDerWaalsContact C-N 3.35Å; L119-R121 PolarHBondContact O-N 2.94Å; L119-K122 PolarHBondContact O-N 3.11Å; L119-K122 VanDerWaalsContact O-N 3.14Å; L119-T123 PolarHBondContact O-N 3.49Å; L119-T123 PolarHBondContact O-OG1 3.01Å; L119-T123 VanDerWaalsContact O-OG1 3.14Å |
| 120 | R | 95.3 | Very high | 95.3 | Very high | 160 Ų | 160 | 110.2 Ų | 110.2 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -57.6 | -47 | 177.5 | -178 | 176.5 | 176.6 | 165.1 | 4 | 111.7 | E116 L117 K122 T123 E124 | E116-R120 WeakPolarHBondContact O-CB 3.5Å; E116-R120 PolarHBondContact O-N 3.39Å; L117-R120 PolarHBondContact O-N 2.91Å; R120-K122 VanDerWaalsContact C-N 3.32Å; R120-K122 PolarHBondContact O-N 3.17Å; R120-T123 PolarHBondContact O-N 3.43Å; R120-E124 HydrophobicContact CG-CG 4.46Å; R120-E124 WeakPolarHBondContact CG-OE1 3.41Å; R120-E124 IonicContact CZ-OE1 2.66Å; R120-E124 IonicContact NE-OE1 3.41Å; R120-E124 PolarHBondContact NE-OE1 2.91Å; R120-E124 IonicContact NH2-OE1 3.25Å; R120-E124 WeakPolarHBondContact O-CG 3.24Å; R120-E124 PolarHBondContact O-N 3.49Å |
| 121 | R | 95.4 | Very high | 95.4 | Very high | 162 Ų | 162 | 111.8 Ų | 111.8 | 61% | 0.611 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.1 | -44.3 | 176 | -179.9 | -176.5 | 173.8 | -168.5 | -0.6 | 111.7 | L117 D118 L119 E124 L125 | L117-R121 WeakPolarHBondContact O-CB 3.41Å; L117-R121 PolarHBondContact O-N 3.26Å; D118-R121 PolarHBondContact O-N 3.39Å; L119-R121 VanDerWaalsContact C-N 3.35Å; L119-R121 PolarHBondContact O-N 2.94Å; R121-E124 PolarHBondContact O-N 3.07Å; R121-L125 HydrophobicContact CG-CD1 4.27Å; R121-L125 WeakPolarHBondContact O-CB 3.45Å; R121-L125 WeakPolarHBondContact O-CG 3.47Å; R121-L125 PolarHBondContact O-N 2.98Å |
| 122 | K | 96.3 | Very high | 95.4 | Very high | 144 Ų | 144 | 110.6 Ų | 110.6 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -42.3 | 178.1 | -75.6 | 173.6 | -178.7 | 175.3 | 0 | 111.9 | D118 L119 R120 L125 H126 | D118-K122 VanDerWaalsContact O-CG 3.31Å; D118-K122 WeakPolarHBondContact O-CG 3.35Å; D118-K122 PolarHBondContact O-N 3.4Å; L119-K122 PolarHBondContact O-N 3.11Å; L119-K122 VanDerWaalsContact O-N 3.14Å; R120-K122 VanDerWaalsContact C-N 3.32Å; R120-K122 PolarHBondContact O-N 3.17Å; K122-L125 PolarHBondContact O-N 3.49Å; K122-H126 WeakPolarHBondContact O-CB 3.48Å; K122-H126 PolarHBondContact O-N 2.96Å |
| 123 | T | 95.6 | Very high | 95.3 | Very high | 68 Ų | 68 | 109.7 Ų | 109.7 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 176.4 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | L119 R120 L125 H126 E127 | L119-T123 PolarHBondContact O-N 3.49Å; L119-T123 PolarHBondContact O-OG1 3.01Å; L119-T123 VanDerWaalsContact O-OG1 3.14Å; R120-T123 PolarHBondContact O-N 3.43Å; T123-L125 VanDerWaalsContact C-N 3.32Å; T123-L125 PolarHBondContact O-N 3.31Å; T123-H126 PolarHBondContact O-N 3.19Å; T123-E127 WeakPolarHBondContact O-CG 3.34Å; T123-E127 PolarHBondContact O-N 3.17Å |
| 124 | E | 94.8 | Very high | 95.3 | Very high | 94 Ų | 94 | 107.1 Ų | 107.1 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 178.4 | -72.5 | 175 | -171 | 0 | 0 | 111.9 | R120 R121 V128 | R120-E124 HydrophobicContact CG-CG 4.46Å; R120-E124 WeakPolarHBondContact CG-OE1 3.41Å; R120-E124 IonicContact CZ-OE1 2.66Å; R120-E124 IonicContact NE-OE1 3.41Å; R120-E124 PolarHBondContact NE-OE1 2.91Å; R120-E124 IonicContact NH2-OE1 3.25Å; R120-E124 WeakPolarHBondContact O-CG 3.24Å; R120-E124 PolarHBondContact O-N 3.49Å; R121-E124 PolarHBondContact O-N 3.07Å; E124-V128 VanDerWaalsContact O-CG2 3.28Å; E124-V128 WeakPolarHBondContact O-CG2 3.47Å; E124-V128 PolarHBondContact O-N 2.98Å; E124-V128 VanDerWaalsContact O-N 3.08Å |
| 125 | L | 94.1 | Very high | 95.3 | Very high | 88 Ų | 88 | 104.5 Ų | 104.5 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 173.9 | -77.1 | 172.3 | 0 | 0 | 0 | 111.7 | R121 K122 T123 E127 V128 E129 | R121-L125 HydrophobicContact CG-CD1 4.27Å; R121-L125 WeakPolarHBondContact O-CB 3.45Å; R121-L125 WeakPolarHBondContact O-CG 3.47Å; R121-L125 PolarHBondContact O-N 2.98Å; K122-L125 PolarHBondContact O-N 3.49Å; T123-L125 VanDerWaalsContact C-N 3.32Å; T123-L125 PolarHBondContact O-N 3.31Å; L125-E127 PolarHBondContact O-N 3.04Å; L125-V128 PolarHBondContact O-N 2.89Å; L125-V128 VanDerWaalsContact O-N 3.15Å; L125-E129 WeakPolarHBondContact O-CG 3.32Å; L125-E129 PolarHBondContact O-N 3.32Å |
| 126 | H | 96 | Very high | 95.2 | Very high | 108 Ų | 108 | 104.7 Ų | 104.7 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | -179.1 | -164.8 | 55.5 | 0 | 0 | 0 | 111.9 | K122 T123 V128 E129 E130 | K122-H126 WeakPolarHBondContact O-CB 3.48Å; K122-H126 PolarHBondContact O-N 2.96Å; T123-H126 PolarHBondContact O-N 3.19Å; H126-V128 VanDerWaalsContact C-N 3.31Å; H126-V128 PolarHBondContact O-N 3.34Å; H126-E129 PolarHBondContact O-N 3.47Å; H126-E130 WeakPolarHBondContact O-CB 3.35Å; H126-E130 WeakPolarHBondContact O-CG 3.42Å; H126-E130 PolarHBondContact O-N 2.82Å |
| 127 | E | 95.3 | Very high | 95.2 | Very high | 107 Ų | 107 | 104.6 Ų | 104.6 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -37.9 | 174 | -73.5 | -180 | -170.3 | 0 | 0 | 112.8 | T123 L125 R131 | T123-E127 WeakPolarHBondContact O-CG 3.34Å; T123-E127 PolarHBondContact O-N 3.17Å; L125-E127 PolarHBondContact O-N 3.04Å; E127-R131 WeakPolarHBondContact O-CB 3.36Å; E127-R131 PolarHBondContact O-N 3.15Å; E127-R131 VanDerWaalsContact O-N 3.09Å |
| 128 | V | 95.6 | Very high | 95.2 | Very high | 70 Ų | 70 | 103.1 Ų | 103.1 | 42% | 0.424 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.1 | -44.9 | 175.9 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | E124 L125 H126 R131 K132 | E124-V128 VanDerWaalsContact O-CG2 3.28Å; E124-V128 WeakPolarHBondContact O-CG2 3.47Å; E124-V128 PolarHBondContact O-N 2.98Å; E124-V128 VanDerWaalsContact O-N 3.08Å; L125-V128 PolarHBondContact O-N 2.89Å; L125-V128 VanDerWaalsContact O-N 3.15Å; H126-V128 VanDerWaalsContact C-N 3.31Å; H126-V128 PolarHBondContact O-N 3.34Å; V128-R131 PolarHBondContact O-N 3.24Å; V128-K132 HydrophobicContact CG1-CG 4.37Å; V128-K132 WeakPolarHBondContact O-CB 3.37Å; V128-K132 VanDerWaalsContact O-CG 3.27Å; V128-K132 WeakPolarHBondContact O-CG 3.46Å; V128-K132 PolarHBondContact O-N 3.36Å |
| 129 | E | 94.7 | Very high | 95.3 | Very high | 107 Ų | 107 | 103.7 Ų | 103.7 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.3 | -50.4 | 176.1 | -74.9 | 175.1 | 174.1 | 0 | 0 | 111.2 | L125 H126 R131 K132 N133 | L125-E129 WeakPolarHBondContact O-CG 3.32Å; L125-E129 PolarHBondContact O-N 3.32Å; H126-E129 PolarHBondContact O-N 3.47Å; E129-R131 VanDerWaalsContact C-N 3.33Å; E129-R131 PolarHBondContact O-N 2.98Å; E129-K132 CarbonylContact O-C 3.58Å; E129-K132 PolarHBondContact O-N 3.42Å; E129-K132 VanDerWaalsContact O-N 3.1Å; E129-N133 WeakPolarHBondContact O-CB 3.48Å; E129-N133 PolarHBondContact O-N 2.8Å; E129-N133 PolarHBondContact O-ND2 3.41Å |
| 130 | E | 94.6 | Very high | 95.1 | Very high | 106 Ų | 106 | 104.2 Ų | 104.2 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 178.8 | -75 | -57.8 | 113.6 | 0 | 0 | 112 | H126 K132 N133 G134 | H126-E130 WeakPolarHBondContact O-CB 3.35Å; H126-E130 WeakPolarHBondContact O-CG 3.42Å; H126-E130 PolarHBondContact O-N 2.82Å; E130-K132 VanDerWaalsContact C-N 3.33Å; E130-K132 PolarHBondContact O-N 2.91Å; E130-N133 PolarHBondContact O-N 2.98Å; E130-G134 PolarHBondContact O-N 3.35Å |
| 131 | R | 95.6 | Very high | 95.2 | Very high | 133 Ų | 133 | 101.4 Ų | 101.4 | 50% | 0.502 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 175.9 | -165.7 | -173.9 | -52.6 | 98.8 | 3.8 | 111.9 | E127 V128 E129 Q135 | E127-R131 WeakPolarHBondContact O-CB 3.36Å; E127-R131 PolarHBondContact O-N 3.15Å; E127-R131 VanDerWaalsContact O-N 3.09Å; V128-R131 PolarHBondContact O-N 3.24Å; E129-R131 VanDerWaalsContact C-N 3.33Å; E129-R131 PolarHBondContact O-N 2.98Å; R131-Q135 WeakPolarHBondContact O-CG 3.44Å; R131-Q135 PolarHBondContact O-N 3.5Å |
| 132 | K | 95 | Very high | 95.1 | Very high | 113 Ų | 113 | 101.8 Ų | 101.8 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.1 | -41.4 | 178.6 | -73 | -68.4 | 177 | -170.6 | 0 | 111.7 | V128 E129 E130 G134 Q135 I136 | V128-K132 HydrophobicContact CG1-CG 4.37Å; V128-K132 WeakPolarHBondContact O-CB 3.37Å; V128-K132 VanDerWaalsContact O-CG 3.27Å; V128-K132 WeakPolarHBondContact O-CG 3.46Å; V128-K132 PolarHBondContact O-N 3.36Å; E129-K132 CarbonylContact O-C 3.58Å; E129-K132 PolarHBondContact O-N 3.42Å; E129-K132 VanDerWaalsContact O-N 3.1Å; E130-K132 VanDerWaalsContact C-N 3.33Å; E130-K132 PolarHBondContact O-N 2.91Å; K132-G134 VanDerWaalsContact C-N 3.31Å; K132-G134 PolarHBondContact O-N 2.96Å; K132-Q135 WeakPolarHBondContact O-CB 3.2Å; K132-Q135 PolarHBondContact O-N 3.27Å; K132-I136 WeakPolarHBondContact O-CG1 3.41Å; K132-I136 PolarHBondContact O-N 2.97Å |
| 133 | N | 94.9 | Very high | 95.1 | Very high | 82 Ų | 82 | 100.7 Ų | 100.7 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 173.1 | -71 | -20.6 | 0 | 0 | 0 | 111 | E129 E130 Q135 I136 H137 | E129-N133 WeakPolarHBondContact O-CB 3.48Å; E129-N133 PolarHBondContact O-N 2.8Å; E129-N133 PolarHBondContact O-ND2 3.41Å; E130-N133 PolarHBondContact O-N 2.98Å; N133-Q135 PolarHBondContact O-N 2.86Å; N133-I136 PolarHBondContact O-N 3.15Å; N133-H137 PolarHBondContact O-N 3.49Å |
| 134 | G | 95.4 | Very high | 95 | Very high | 35 Ų | 35 | 103.3 Ų | 103.3 | 36% | 0.361 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E130 K132 I136 H137 T138 | E130-G134 PolarHBondContact O-N 3.35Å; K132-G134 VanDerWaalsContact C-N 3.31Å; K132-G134 PolarHBondContact O-N 2.96Å; G134-I136 PolarHBondContact O-N 2.85Å; G134-H137 PolarHBondContact O-N 3.25Å; G134-T138 PolarHBondContact O-N 3.41Å; G134-T138 PolarHBondContact O-OG1 3.49Å |
| 135 | Q | 94.4 | Very high | 95 | Very high | 103 Ų | 103 | 103.4 Ų | 103.4 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 175.5 | -73.5 | 176.3 | -0.2 | 0 | 0 | 112.3 | R131 K132 N133 H137 T138 L139 | R131-Q135 WeakPolarHBondContact O-CG 3.44Å; R131-Q135 PolarHBondContact O-N 3.5Å; K132-Q135 WeakPolarHBondContact O-CB 3.2Å; K132-Q135 PolarHBondContact O-N 3.27Å; N133-Q135 PolarHBondContact O-N 2.86Å; Q135-H137 VanDerWaalsContact C-N 3.35Å; Q135-T138 PolarHBondContact O-N 2.81Å; Q135-L139 WeakPolarHBondContact O-CB 3.45Å; Q135-L139 PolarHBondContact O-N 3.33Å |
| 136 | I | 94.1 | Very high | 95 | Very high | 92 Ų | 92 | 101.4 Ų | 101.4 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 176.2 | -69.1 | 165.9 | 0 | 0 | 0 | 109.9 | K132 N133 G134 T138 L139 M140 | K132-I136 WeakPolarHBondContact O-CG1 3.41Å; K132-I136 PolarHBondContact O-N 2.97Å; N133-I136 PolarHBondContact O-N 3.15Å; G134-I136 PolarHBondContact O-N 2.85Å; I136-T138 PolarHBondContact O-N 2.67Å; I136-L139 PolarHBondContact O-N 2.99Å; I136-M140 HydrophobicContact CG2-CG 4.39Å; I136-M140 HydrophobicContact CG2-SD 4.08Å; I136-M140 WeakPolarHBondContact O-CG 3.35Å; I136-M140 PolarHBondContact O-N 3.44Å |
| 137 | H | 95.8 | Very high | 94.9 | Very high | 130 Ų | 130 | 102.3 Ų | 102.3 | 60% | 0.602 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.6 | -45.2 | -179.7 | -167.1 | 61.7 | 0 | 0 | 0 | 112.2 | N133 G134 Q135 L139 M140 Q141 | N133-H137 PolarHBondContact O-N 3.49Å; G134-H137 PolarHBondContact O-N 3.25Å; Q135-H137 VanDerWaalsContact C-N 3.35Å; H137-L139 VanDerWaalsContact C-N 3.31Å; H137-L139 PolarHBondContact O-N 3.12Å; H137-M140 PolarHBondContact O-N 3.27Å; H137-Q141 PolarHBondContact O-N 3.32Å |
| 138 | T | 94.9 | Very high | 94.9 | Very high | 66 Ų | 66 | 99.8 Ų | 99.8 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 174.7 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | G134 Q135 I136 Q141 R142 | G134-T138 PolarHBondContact O-N 3.41Å; G134-T138 PolarHBondContact O-OG1 3.49Å; Q135-T138 PolarHBondContact O-N 2.81Å; I136-T138 PolarHBondContact O-N 2.67Å; T138-Q141 PolarHBondContact O-N 2.88Å; T138-R142 WeakPolarHBondContact O-CG 3.37Å; T138-R142 PolarHBondContact O-N 3.48Å |
| 139 | L | 95.9 | Very high | 94.8 | Very high | 97 Ų | 97 | 101.6 Ų | 101.6 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -44 | 178.4 | -176.5 | 62.9 | 0 | 0 | 0 | 111.3 | Q135 I136 H137 R142 H143 | Q135-L139 WeakPolarHBondContact O-CB 3.45Å; Q135-L139 PolarHBondContact O-N 3.33Å; I136-L139 PolarHBondContact O-N 2.99Å; H137-L139 VanDerWaalsContact C-N 3.31Å; H137-L139 PolarHBondContact O-N 3.12Å; L139-R142 PolarHBondContact O-N 2.81Å; L139-H143 PolarHBondContact O-CD2 3.45Å; L139-H143 PolarHBondContact O-N 3.34Å |
| 140 | M | 94.5 | Very high | 94.7 | Very high | 123 Ų | 123 | 101 Ų | 101 | 61% | 0.606 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.7 | -45.8 | 174.7 | -72.5 | -179.2 | 69 | 0 | 0 | 111.7 | I136 H137 R142 H143 E144 | I136-M140 HydrophobicContact CG2-CG 4.39Å; I136-M140 HydrophobicContact CG2-SD 4.08Å; I136-M140 WeakPolarHBondContact O-CG 3.35Å; I136-M140 PolarHBondContact O-N 3.44Å; H137-M140 PolarHBondContact O-N 3.27Å; M140-R142 PolarHBondContact O-N 3.4Å; M140-H143 PolarHBondContact O-N 2.83Å; M140-E144 PolarHBondContact O-N 3.21Å |
| 141 | Q | 96.3 | Very high | 94.6 | Very high | 102 Ų | 102 | 101.8 Ų | 101.8 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60 | -46.7 | 177.8 | -174.4 | -175.3 | -11.5 | 0 | 0 | 111.5 | H137 T138 H143 E144 E145 | H137-Q141 PolarHBondContact O-N 3.32Å; T138-Q141 PolarHBondContact O-N 2.88Å; Q141-H143 VanDerWaalsContact C-N 3.29Å; Q141-H143 PolarHBondContact O-N 3.3Å; Q141-E144 PolarHBondContact O-N 3Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.43Å; Q141-E145 PolarHBondContact NE2-OE1 3.39Å; Q141-E145 WeakPolarHBondContact O-CG 3.4Å; Q141-E145 PolarHBondContact O-N 3.33Å |
| 142 | R | 94.4 | Very high | 94.4 | Very high | 170 Ų | 170 | 99 Ų | 99 | 64% | 0.642 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.8 | -36.8 | 176.6 | -76.4 | -171.9 | 178.8 | 167.5 | 0.9 | 112.8 | T138 L139 M140 A146 | T138-R142 WeakPolarHBondContact O-CG 3.37Å; T138-R142 PolarHBondContact O-N 3.48Å; L139-R142 PolarHBondContact O-N 2.81Å; M140-R142 PolarHBondContact O-N 3.4Å; R142-A146 VanDerWaalsContact O-CB 3.31Å; R142-A146 WeakPolarHBondContact O-CB 3.07Å; R142-A146 PolarHBondContact O-N 3.03Å |
| 143 | H | 94.4 | Very high | 94.3 | Very high | 121 Ų | 121 | 100.6 Ų | 100.6 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.5 | -40.7 | 175.1 | -79 | -50.3 | 0 | 0 | 0 | 112.1 | L139 M140 Q141 A146 F147 | L139-H143 PolarHBondContact O-CD2 3.45Å; L139-H143 PolarHBondContact O-N 3.34Å; M140-H143 PolarHBondContact O-N 2.83Å; Q141-H143 VanDerWaalsContact C-N 3.29Å; Q141-H143 PolarHBondContact O-N 3.3Å; H143-A146 PolarHBondContact O-N 3.01Å; H143-F147 VanDerWaalsContact O-CB 3.29Å; H143-F147 WeakPolarHBondContact O-CB 3.36Å; H143-F147 PolarHBondContact O-N 3.49Å |
| 144 | E | 95 | Very high | 94.1 | Very high | 123 Ų | 123 | 103.5 Ų | 103.5 | 58% | 0.575 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | 175.8 | -169.9 | 63.1 | -147.1 | 0 | 0 | 111.8 | M140 Q141 F147 T148 | M140-E144 PolarHBondContact O-N 3.21Å; Q141-E144 PolarHBondContact O-N 3Å; E144-F147 PolarHBondContact O-N 3.46Å; E144-T148 WeakPolarHBondContact O-CB 3.38Å; E144-T148 PolarHBondContact O-N 3.08Å; E144-T148 PolarHBondContact O-OG1 3.02Å |
| 145 | E | 94.8 | Very high | 93.9 | Very high | 95 Ų | 95 | 105.5 Ų | 105.5 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.6 | -52.4 | 174 | -73.4 | 169.6 | -173.3 | 0 | 0 | 110.8 | Q141 F147 T148 D149 | Q141-E145 WeakPolarHBondContact CG-OE1 3.43Å; Q141-E145 PolarHBondContact NE2-OE1 3.39Å; Q141-E145 WeakPolarHBondContact O-CG 3.4Å; Q141-E145 PolarHBondContact O-N 3.33Å; E145-F147 VanDerWaalsContact C-N 3.3Å; E145-F147 PolarHBondContact O-N 2.98Å; E145-T148 WeakPolarHBondContact O-CB 3.35Å; E145-T148 PolarHBondContact O-N 3.23Å; E145-T148 VanDerWaalsContact O-N 3.11Å; E145-D149 PolarHBondContact O-N 3.22Å |
| 146 | A | 93.5 | Very high | 93.8 | Very high | 46 Ų | 46 | 104.9 Ų | 104.9 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -37.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R142 H143 D149 I150 | R142-A146 VanDerWaalsContact O-CB 3.31Å; R142-A146 WeakPolarHBondContact O-CB 3.07Å; R142-A146 PolarHBondContact O-N 3.03Å; H143-A146 PolarHBondContact O-N 3.01Å; A146-D149 PolarHBondContact O-N 3.22Å; A146-I150 VanDerWaalsContact O-CG1 3.26Å; A146-I150 WeakPolarHBondContact O-CG1 3.46Å; A146-I150 PolarHBondContact O-N 2.94Å |
| 147 | F | 93.7 | Very high | 93.6 | Very high | 127 Ų | 127 | 103.2 Ų | 103.2 | 56% | 0.557 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.2 | -40.7 | 175.7 | -173.6 | -99.8 | 0 | 0 | 0 | 111.8 | H143 E144 E145 I150 K151 | H143-F147 VanDerWaalsContact O-CB 3.29Å; H143-F147 WeakPolarHBondContact O-CB 3.36Å; H143-F147 PolarHBondContact O-N 3.49Å; E144-F147 PolarHBondContact O-N 3.46Å; E145-F147 VanDerWaalsContact C-N 3.3Å; E145-F147 PolarHBondContact O-N 2.98Å; F147-I150 PolarHBondContact O-N 3.01Å; F147-K151 WeakPolarHBondContact O-CB 3.37Å; F147-K151 PolarHBondContact O-N 3.45Å |
| 148 | T | 95.3 | Very high | 93 | Very high | 55 Ų | 55 | 101.2 Ų | 101.2 | 34% | 0.337 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 174.9 | -60.5 | 0 | 0 | 0 | 0 | 111 | E144 E145 I150 K151 N152 | E144-T148 WeakPolarHBondContact O-CB 3.38Å; E144-T148 PolarHBondContact O-N 3.08Å; E144-T148 PolarHBondContact O-OG1 3.02Å; E145-T148 WeakPolarHBondContact O-CB 3.35Å; E145-T148 PolarHBondContact O-N 3.23Å; E145-T148 VanDerWaalsContact O-N 3.11Å; T148-I150 PolarHBondContact O-N 2.72Å; T148-K151 PolarHBondContact O-N 2.96Å; T148-N152 WeakPolarHBondContact O-CB 3.42Å; T148-N152 PolarHBondContact O-N 3.31Å; T148-N152 PolarHBondContact O-ND2 3.44Å |
| 149 | D | 93.9 | Very high | 92.8 | Very high | 108 Ų | 108 | 103.4 Ų | 103.4 | 58% | 0.578 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -44.4 | 176.8 | -71.7 | -16.1 | 0 | 0 | 0 | 111.8 | E145 A146 K151 N152 Y153 | E145-D149 PolarHBondContact O-N 3.22Å; A146-D149 PolarHBondContact O-N 3.22Å; D149-K151 PolarHBondContact O-N 3.17Å; D149-N152 PolarHBondContact O-N 2.98Å; D149-Y153 WeakPolarHBondContact O-CB 3.41Å; D149-Y153 PolarHBondContact O-N 3.1Å |
| 150 | I | 92 | Very high | 92.5 | Very high | 93 Ų | 93 | 104 Ų | 104 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 175.5 | -69.7 | 167.1 | 0 | 0 | 0 | 110.6 | A146 F147 T148 N152 Y153 Y154 | A146-I150 VanDerWaalsContact O-CG1 3.26Å; A146-I150 WeakPolarHBondContact O-CG1 3.46Å; A146-I150 PolarHBondContact O-N 2.94Å; F147-I150 PolarHBondContact O-N 3.01Å; T148-I150 PolarHBondContact O-N 2.72Å; I150-N152 VanDerWaalsContact C-N 3.33Å; I150-N152 PolarHBondContact O-N 3.44Å; I150-Y153 PolarHBondContact O-N 2.84Å; I150-Y154 HydrophobicContact CG2-CD2 3.72Å; I150-Y154 HydrophobicContact CG2-CE2 3.66Å; I150-Y154 VanDerWaalsContact O-CD2 3.25Å; I150-Y154 WeakPolarHBondContact O-CD2 3.42Å; I150-Y154 PolarHBondContact O-N 2.85Å |
| 151 | K | 92.8 | Very high | 92.2 | Very high | 124 Ų | 124 | 102.1 Ų | 102.1 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 178.4 | -175.9 | -178.4 | 177.2 | -177.4 | 0 | 111.3 | F147 T148 D149 Y154 N155 | F147-K151 WeakPolarHBondContact O-CB 3.37Å; F147-K151 PolarHBondContact O-N 3.45Å; T148-K151 PolarHBondContact O-N 2.96Å; D149-K151 PolarHBondContact O-N 3.17Å; K151-Y154 PolarHBondContact O-N 3.43Å; K151-N155 WeakPolarHBondContact O-CB 3.38Å; K151-N155 VanDerWaalsContact O-CG 3.29Å; K151-N155 PolarHBondContact O-N 2.9Å; K151-N155 PolarHBondContact O-ND2 3.3Å |
| 152 | N | 92.4 | Very high | 91.8 | Very high | 75 Ų | 75 | 102 Ų | 102 | 40% | 0.401 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 177.1 | -69.6 | -19.5 | 0 | 0 | 0 | 111.2 | T148 D149 I150 Y154 N155 D156 | T148-N152 WeakPolarHBondContact O-CB 3.42Å; T148-N152 PolarHBondContact O-N 3.31Å; T148-N152 PolarHBondContact O-ND2 3.44Å; D149-N152 PolarHBondContact O-N 2.98Å; I150-N152 VanDerWaalsContact C-N 3.33Å; I150-N152 PolarHBondContact O-N 3.44Å; N152-Y154 PolarHBondContact O-N 3.4Å; N152-N155 WeakPolarHBondContact O-CB 3.36Å; N152-N155 PolarHBondContact O-N 3.15Å; N152-N155 VanDerWaalsContact O-N 3.16Å; N152-D156 WeakPolarHBondContact O-CB 3.35Å; N152-D156 PolarHBondContact O-N 3.16Å |
| 153 | Y | 92.4 | Very high | 91.4 | Very high | 146 Ų | 146 | 96.6 Ų | 96.6 | 57% | 0.573 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -55.6 | -47.4 | 175.9 | 174.4 | -102.8 | 0 | 0 | 0 | 112.8 | D149 I150 D156 I157 | D149-Y153 WeakPolarHBondContact O-CB 3.41Å; D149-Y153 PolarHBondContact O-N 3.1Å; I150-Y153 PolarHBondContact O-N 2.84Å; Y153-D156 PolarHBondContact O-N 2.94Å; Y153-I157 HydrophobicContact CD1-CD1 3.95Å; Y153-I157 HydrophobicContact CE1-CD1 3.38Å; Y153-I157 HydrophobicContact CE2-CD1 4.01Å; Y153-I157 HydrophobicContact CG-CD1 4.49Å; Y153-I157 VanDerWaalsContact CZ-CD1 3.42Å; Y153-I157 WeakPolarHBondContact O-CG1 3.27Å; Y153-I157 PolarHBondContact O-N 3.42Å |
| 154 | Y | 89.9 | Confident | 91.1 | Very high | 143 Ų | 143 | 95.6 Ų | 95.6 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -71 | -33.8 | 177.7 | -76.8 | -66.9 | 0 | 0 | 0 | 113 | I150 K151 N152 T158 | I150-Y154 HydrophobicContact CG2-CD2 3.72Å; I150-Y154 HydrophobicContact CG2-CE2 3.66Å; I150-Y154 VanDerWaalsContact O-CD2 3.25Å; I150-Y154 WeakPolarHBondContact O-CD2 3.42Å; I150-Y154 PolarHBondContact O-N 2.85Å; K151-Y154 PolarHBondContact O-N 3.43Å; N152-Y154 PolarHBondContact O-N 3.4Å; Y154-T158 WeakPolarHBondContact O-CB 3.31Å; Y154-T158 PolarHBondContact O-N 2.82Å; Y154-T158 PolarHBondContact O-OG1 3.46Å |
| 155 | N | 92.5 | Very high | 90.6 | Very high | 76 Ų | 76 | 93.8 Ų | 93.8 | 41% | 0.406 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 172.3 | -79.9 | -18.2 | 0 | 0 | 0 | 111.4 | K151 N152 T158 L159 | K151-N155 WeakPolarHBondContact O-CB 3.38Å; K151-N155 VanDerWaalsContact O-CG 3.29Å; K151-N155 PolarHBondContact O-N 2.9Å; K151-N155 PolarHBondContact O-ND2 3.3Å; N152-N155 WeakPolarHBondContact O-CB 3.36Å; N152-N155 PolarHBondContact O-N 3.15Å; N152-N155 VanDerWaalsContact O-N 3.16Å; N155-T158 WeakPolarHBondContact O-CB 3.42Å; N155-T158 PolarHBondContact O-N 2.86Å; N155-T158 VanDerWaalsContact O-N 3.13Å; N155-L159 WeakPolarHBondContact O-CG 3.34Å; N155-L159 PolarHBondContact O-N 3.41Å |
| 156 | D | 91.8 | Very high | 90.2 | Very high | 90 Ų | 90 | 93.3 Ų | 93.3 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 178 | -71.8 | -16.3 | 0 | 0 | 0 | 111.7 | N152 Y153 T158 L159 N160 | N152-D156 WeakPolarHBondContact O-CB 3.35Å; N152-D156 PolarHBondContact O-N 3.16Å; Y153-D156 PolarHBondContact O-N 2.94Å; D156-T158 VanDerWaalsContact C-N 3.28Å; D156-T158 PolarHBondContact O-N 2.91Å; D156-L159 PolarHBondContact O-N 3.39Å; D156-N160 VanDerWaalsContact O-CB 3.29Å; D156-N160 WeakPolarHBondContact O-CB 3.47Å; D156-N160 VanDerWaalsContact O-CG 3.31Å; D156-N160 PolarHBondContact O-N 3.32Å; D156-N160 PolarHBondContact O-ND2 3.48Å; D156-N160 VanDerWaalsContact O-ND2 3.12Å |
| 157 | I | 88.5 | Confident | 89.8 | Confident | 57 Ų | 57 | 93.3 Ų | 93.3 | 29% | 0.292 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59 | -43.7 | 171.2 | -71.7 | 172.5 | 0 | 0 | 0 | 110.4 | Y153 N160 N161 | Y153-I157 HydrophobicContact CD1-CD1 3.95Å; Y153-I157 HydrophobicContact CE1-CD1 3.38Å; Y153-I157 HydrophobicContact CE2-CD1 4.01Å; Y153-I157 HydrophobicContact CG-CD1 4.49Å; Y153-I157 VanDerWaalsContact CZ-CD1 3.42Å; Y153-I157 WeakPolarHBondContact O-CG1 3.27Å; Y153-I157 PolarHBondContact O-N 3.42Å; I157-N160 PolarHBondContact O-N 3.16Å; I157-N161 WeakPolarHBondContact CG2-ND2 3.3Å; I157-N161 VanDerWaalsContact O-CB 3.27Å; I157-N161 WeakPolarHBondContact O-CB 3.36Å; I157-N161 PolarHBondContact O-N 3.17Å; I157-N161 PolarHBondContact O-ND2 3.44Å |
| 158 | T | 84.7 | Confident | 89.3 | Confident | 89 Ų | 89 | 91.3 Ų | 91.3 | 55% | 0.546 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 180 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | Y154 N155 D156 N161 L162 | Y154-T158 WeakPolarHBondContact O-CB 3.31Å; Y154-T158 PolarHBondContact O-N 2.82Å; Y154-T158 PolarHBondContact O-OG1 3.46Å; N155-T158 WeakPolarHBondContact O-CB 3.42Å; N155-T158 PolarHBondContact O-N 2.86Å; N155-T158 VanDerWaalsContact O-N 3.13Å; D156-T158 VanDerWaalsContact C-N 3.28Å; D156-T158 PolarHBondContact O-N 2.91Å; T158-N161 PolarHBondContact O-N 2.77Å; T158-L162 WeakPolarHBondContact O-CB 3.48Å; T158-L162 PolarHBondContact O-N 3.21Å |
| 159 | L | 89.6 | Confident | 88.7 | Confident | 111 Ų | 111 | 94.5 Ų | 94.5 | 58% | 0.581 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.3 | -44.4 | 175.7 | -73 | 172.6 | 0 | 0 | 0 | 111.9 | N155 D156 L162 A163 | N155-L159 WeakPolarHBondContact O-CG 3.34Å; N155-L159 PolarHBondContact O-N 3.41Å; D156-L159 PolarHBondContact O-N 3.39Å; L159-L162 PolarHBondContact O-N 3.38Å; L159-A163 WeakPolarHBondContact O-CB 3.33Å; L159-A163 PolarHBondContact O-N 2.99Å |
| 160 | N | 90.4 | Very high | 88.2 | Confident | 109 Ų | 109 | 95.7 Ų | 95.7 | 58% | 0.583 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 176.1 | -78.8 | -38 | 0 | 0 | 0 | 111.8 | D156 I157 L162 A163 L164 | D156-N160 VanDerWaalsContact O-CB 3.29Å; D156-N160 WeakPolarHBondContact O-CB 3.47Å; D156-N160 VanDerWaalsContact O-CG 3.31Å; D156-N160 PolarHBondContact O-N 3.32Å; D156-N160 PolarHBondContact O-ND2 3.48Å; D156-N160 VanDerWaalsContact O-ND2 3.12Å; I157-N160 PolarHBondContact O-N 3.16Å; N160-L162 VanDerWaalsContact C-N 3.33Å; N160-L162 PolarHBondContact O-N 3.39Å; N160-A163 PolarHBondContact O-N 3.08Å; N160-L164 WeakPolarHBondContact O-CB 3.38Å; N160-L164 PolarHBondContact O-N 2.94Å |
| 161 | N | 88 | Confident | 87.7 | Confident | 84 Ų | 84 | 96.4 Ų | 96.4 | 45% | 0.449 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 175.5 | -72.6 | -17.4 | 0 | 0 | 0 | 111.2 | I157 T158 L164 I165 | I157-N161 WeakPolarHBondContact CG2-ND2 3.3Å; I157-N161 VanDerWaalsContact O-CB 3.27Å; I157-N161 WeakPolarHBondContact O-CB 3.36Å; I157-N161 PolarHBondContact O-N 3.17Å; I157-N161 PolarHBondContact O-ND2 3.44Å; T158-N161 PolarHBondContact O-N 2.77Å; N161-L164 PolarHBondContact O-N 2.96Å; N161-I165 WeakPolarHBondContact O-CB 3.45Å; N161-I165 WeakPolarHBondContact O-CD1 3.44Å; N161-I165 WeakPolarHBondContact O-CG1 3.47Å; N161-I165 PolarHBondContact O-N 3.09Å |
| 162 | L | 88.7 | Confident | 87 | Confident | 100 Ų | 100 | 96.5 Ų | 96.5 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 176.1 | -163.2 | 84.1 | 0 | 0 | 0 | 111.6 | T158 L159 N160 I165 N166 | T158-L162 WeakPolarHBondContact O-CB 3.48Å; T158-L162 PolarHBondContact O-N 3.21Å; L159-L162 PolarHBondContact O-N 3.38Å; N160-L162 VanDerWaalsContact C-N 3.33Å; N160-L162 PolarHBondContact O-N 3.39Å; L162-I165 PolarHBondContact O-N 3.22Å; L162-N166 WeakPolarHBondContact O-CB 3.39Å; L162-N166 PolarHBondContact O-N 3.41Å; L162-N166 PolarHBondContact O-ND2 2.95Å |
| 163 | A | 86.1 | Confident | 86.4 | Confident | 57 Ų | 57 | 97.3 Ų | 97.3 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L159 N160 N166 S167 | L159-A163 WeakPolarHBondContact O-CB 3.33Å; L159-A163 PolarHBondContact O-N 2.99Å; N160-A163 PolarHBondContact O-N 3.08Å; A163-N166 PolarHBondContact O-N 3.07Å; A163-S167 WeakPolarHBondContact O-CB 3.46Å; A163-S167 PolarHBondContact O-N 3.34Å |
| 164 | L | 86.9 | Confident | 85.7 | Confident | 100 Ų | 100 | 94 Ų | 94 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 174.9 | 179.6 | 63.1 | 0 | 0 | 0 | 111.5 | N160 N161 N166 S167 L168 | N160-L164 WeakPolarHBondContact O-CB 3.38Å; N160-L164 PolarHBondContact O-N 2.94Å; N161-L164 PolarHBondContact O-N 2.96Å; L164-N166 VanDerWaalsContact C-N 3.31Å; L164-N166 PolarHBondContact O-N 3.45Å; L164-S167 PolarHBondContact O-N 3.08Å; L164-L168 HydrophobicContact CD1-CD1 4.25Å; L164-L168 HydrophobicContact CD1-CG 4.27Å; L164-L168 HydrophobicContact CG-CD1 4.05Å; L164-L168 HydrophobicContact CG-CG 4.49Å; L164-L168 WeakPolarHBondContact O-CB 3.34Å; L164-L168 VanDerWaalsContact O-CG 3.31Å; L164-L168 WeakPolarHBondContact O-CG 3.33Å; L164-L168 PolarHBondContact O-N 3.37Å |
| 165 | I | 83.9 | Confident | 85 | Confident | 84 Ų | 84 | 92.9 Ų | 92.9 | 43% | 0.431 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 176.1 | -72 | 164.1 | 0 | 0 | 0 | 110.6 | N161 L162 L168 K169 | N161-I165 WeakPolarHBondContact O-CB 3.45Å; N161-I165 WeakPolarHBondContact O-CD1 3.44Å; N161-I165 WeakPolarHBondContact O-CG1 3.47Å; N161-I165 PolarHBondContact O-N 3.09Å; L162-I165 PolarHBondContact O-N 3.22Å; I165-L168 PolarHBondContact O-N 3.05Å; I165-K169 HydrophobicContact CG2-CD 4.27Å; I165-K169 WeakPolarHBondContact O-CG 3.42Å; I165-K169 PolarHBondContact O-N 3.08Å |
| 166 | N | 86.9 | Confident | 84.1 | Confident | 85 Ų | 85 | 96.7 Ų | 96.7 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 177.9 | -74 | -22.9 | 0 | 0 | 0 | 111.8 | L162 A163 L164 L168 K169 E170 | L162-N166 WeakPolarHBondContact O-CB 3.39Å; L162-N166 PolarHBondContact O-N 3.41Å; L162-N166 PolarHBondContact O-ND2 2.95Å; A163-N166 PolarHBondContact O-N 3.07Å; L164-N166 VanDerWaalsContact C-N 3.31Å; L164-N166 PolarHBondContact O-N 3.45Å; N166-L168 PolarHBondContact O-N 3.48Å; N166-K169 WeakPolarHBondContact O-CB 3.22Å; N166-K169 PolarHBondContact O-N 2.96Å; N166-E170 PolarHBondContact O-N 2.94Å |
| 167 | S | 86.1 | Confident | 83.3 | Confident | 47 Ų | 47 | 98.3 Ų | 98.3 | 33% | 0.329 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 175.3 | -178.3 | 0 | 0 | 0 | 0 | 112.1 | A163 L164 K169 E170 Q171 | A163-S167 WeakPolarHBondContact O-CB 3.46Å; A163-S167 PolarHBondContact O-N 3.34Å; L164-S167 PolarHBondContact O-N 3.08Å; S167-K169 VanDerWaalsContact C-N 3.34Å; S167-K169 PolarHBondContact O-N 3.23Å; S167-E170 PolarHBondContact O-N 3.48Å; S167-Q171 WeakPolarHBondContact O-CB 3.49Å; S167-Q171 WeakPolarHBondContact O-CG 3.44Å; S167-Q171 PolarHBondContact O-N 3.42Å |
| 168 | L | 83.4 | Confident | 82.6 | Confident | 85 Ų | 85 | 101.6 Ų | 101.6 | 45% | 0.445 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 176.3 | -71.7 | 171.6 | 0 | 0 | 0 | 112 | L164 I165 N166 Q171 M172 | L164-L168 HydrophobicContact CD1-CD1 4.25Å; L164-L168 HydrophobicContact CD1-CG 4.27Å; L164-L168 HydrophobicContact CG-CD1 4.05Å; L164-L168 HydrophobicContact CG-CG 4.49Å; L164-L168 WeakPolarHBondContact O-CB 3.34Å; L164-L168 VanDerWaalsContact O-CG 3.31Å; L164-L168 WeakPolarHBondContact O-CG 3.33Å; L164-L168 PolarHBondContact O-N 3.37Å; I165-L168 PolarHBondContact O-N 3.05Å; N166-L168 PolarHBondContact O-N 3.48Å; L168-Q171 PolarHBondContact O-N 3.27Å; L168-M172 WeakPolarHBondContact O-CB 3.48Å; L168-M172 WeakPolarHBondContact O-CG 2.97Å; L168-M172 PolarHBondContact O-N 3.25Å |
| 169 | K | 81.4 | Confident | 81.7 | Confident | 122 Ų | 122 | 103.2 Ų | 103.2 | 53% | 0.53 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 173.9 | -77.4 | 177 | 178 | -179.8 | 0 | 112.3 | I165 N166 S167 M172 E173 | I165-K169 HydrophobicContact CG2-CD 4.27Å; I165-K169 WeakPolarHBondContact O-CG 3.42Å; I165-K169 PolarHBondContact O-N 3.08Å; N166-K169 WeakPolarHBondContact O-CB 3.22Å; N166-K169 PolarHBondContact O-N 2.96Å; S167-K169 VanDerWaalsContact C-N 3.34Å; S167-K169 PolarHBondContact O-N 3.23Å; K169-M172 HydrophobicContact CG-CE 4.11Å; K169-M172 PolarHBondContact O-N 3.35Å; K169-E173 PolarHBondContact O-N 3.48Å |
| 170 | E | 84.2 | Confident | 80.8 | Confident | 132 Ų | 132 | 101.6 Ų | 101.6 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.2 | -43.6 | 176.2 | -170.3 | 172.8 | -160.6 | 0 | 0 | 111.3 | N166 S167 M172 E173 D174 | N166-E170 PolarHBondContact O-N 2.94Å; S167-E170 PolarHBondContact O-N 3.48Å; E170-M172 PolarHBondContact O-N 3.23Å; E170-E173 PolarHBondContact O-N 3.24Å; E170-D174 PolarHBondContact O-N 3.4Å |
| 171 | Q | 81.3 | Confident | 79.8 | Confident | 109 Ų | 109 | 101.4 Ų | 101.4 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 174 | -72.9 | 178.5 | 18.9 | 0 | 0 | 112.8 | S167 L168 D174 M175 | S167-Q171 WeakPolarHBondContact O-CB 3.49Å; S167-Q171 WeakPolarHBondContact O-CG 3.44Å; S167-Q171 PolarHBondContact O-N 3.42Å; L168-Q171 PolarHBondContact O-N 3.27Å; Q171-D174 PolarHBondContact O-N 3.21Å; Q171-M175 VanDerWaalsContact O-CB 3.3Å; Q171-M175 WeakPolarHBondContact O-CB 3.39Å; Q171-M175 WeakPolarHBondContact O-CG 3.24Å; Q171-M175 PolarHBondContact O-N 2.89Å |
| 172 | M | 78 | Confident | 78.7 | Confident | 125 Ų | 125 | 101.9 Ų | 101.9 | 62% | 0.616 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.9 | -41 | 174.8 | -78.9 | -168.7 | -56.2 | 0 | 0 | 112 | L168 K169 E170 M175 R176 | L168-M172 WeakPolarHBondContact O-CB 3.48Å; L168-M172 WeakPolarHBondContact O-CG 2.97Å; L168-M172 PolarHBondContact O-N 3.25Å; K169-M172 HydrophobicContact CG-CE 4.11Å; K169-M172 PolarHBondContact O-N 3.35Å; E170-M172 PolarHBondContact O-N 3.23Å; M172-M175 PolarHBondContact O-N 3.42Å; M172-R176 WeakPolarHBondContact O-CB 3.22Å; M172-R176 PolarHBondContact O-N 3.24Å |
| 173 | E | 80.3 | Confident | 77.7 | Confident | 92 Ų | 92 | 103.1 Ų | 103.1 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 178.2 | -170.6 | 60.6 | -157.9 | 0 | 0 | 111.6 | K169 E170 R176 K177 | K169-E173 PolarHBondContact O-N 3.48Å; E170-E173 PolarHBondContact O-N 3.24Å; E173-R176 PolarHBondContact O-N 3.4Å; E173-K177 WeakPolarHBondContact O-CG 3.49Å; E173-K177 PolarHBondContact O-N 3.44Å |
| 174 | D | 77.1 | Confident | 76.8 | Confident | 77 Ų | 77 | 108.4 Ų | 108.4 | 41% | 0.412 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 173.5 | -83.9 | -5.3 | 0 | 0 | 0 | 112.8 | E170 Q171 R176 K177 K178 | E170-D174 PolarHBondContact O-N 3.4Å; Q171-D174 PolarHBondContact O-N 3.21Å; D174-R176 VanDerWaalsContact C-N 3.33Å; D174-K177 PolarHBondContact O-N 3.12Å; D174-K178 WeakPolarHBondContact O-CG 3.29Å; D174-K178 PolarHBondContact O-N 3.36Å |
| 175 | M | 74.6 | Confident | 75.7 | Confident | 119 Ų | 119 | 108.4 Ų | 108.4 | 59% | 0.586 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63 | -40.2 | 174 | -79.5 | -67.9 | -64 | 0 | 0 | 111.3 | Q171 M172 K177 K178 E179 | Q171-M175 VanDerWaalsContact O-CB 3.3Å; Q171-M175 WeakPolarHBondContact O-CB 3.39Å; Q171-M175 WeakPolarHBondContact O-CG 3.24Å; Q171-M175 PolarHBondContact O-N 2.89Å; M172-M175 PolarHBondContact O-N 3.42Å; M175-K177 PolarHBondContact O-N 3.37Å; M175-K178 CarbonylContact O-C 3.55Å; M175-K178 WeakPolarHBondContact O-CB 3.5Å; M175-K178 PolarHBondContact O-N 3.33Å; M175-E179 WeakPolarHBondContact O-CB 3.34Å; M175-E179 PolarHBondContact O-N 2.84Å |
| 176 | R | 74.2 | Confident | 74.5 | Confident | 157 Ų | 157 | 110.8 Ų | 110.8 | 59% | 0.592 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64 | -40.8 | 177.6 | -164.4 | 177.9 | -175.9 | -178.4 | 1.7 | 112.2 | M172 E173 D174 K178 E179 D180 | M172-R176 WeakPolarHBondContact O-CB 3.22Å; M172-R176 PolarHBondContact O-N 3.24Å; E173-R176 PolarHBondContact O-N 3.4Å; D174-R176 VanDerWaalsContact C-N 3.33Å; R176-K178 VanDerWaalsContact C-N 3.33Å; R176-K178 PolarHBondContact O-N 3.31Å; R176-E179 PolarHBondContact O-N 3.13Å; R176-D180 PolarHBondContact O-N 2.99Å |
| 177 | K | 75.8 | Confident | 73.5 | Confident | 124 Ų | 124 | 110.2 Ų | 110.2 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 173.1 | -69.8 | 171.2 | -172.4 | 163.3 | 0 | 112.7 | E173 D174 M175 H181 | E173-K177 WeakPolarHBondContact O-CG 3.49Å; E173-K177 PolarHBondContact O-N 3.44Å; D174-K177 PolarHBondContact O-N 3.12Å; M175-K177 PolarHBondContact O-N 3.37Å; K177-H181 PolarHBondContact O-N 3.47Å |
| 178 | K | 73.3 | Confident | 72.3 | Confident | 126 Ų | 126 | 115.2 Ų | 115.2 | 55% | 0.548 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72.1 | -37.4 | 174.1 | -72.9 | 172.1 | -176.4 | 169.2 | 0 | 112 | D174 M175 R176 H181 L182 | D174-K178 WeakPolarHBondContact O-CG 3.29Å; D174-K178 PolarHBondContact O-N 3.36Å; M175-K178 CarbonylContact O-C 3.55Å; M175-K178 WeakPolarHBondContact O-CB 3.5Å; M175-K178 PolarHBondContact O-N 3.33Å; R176-K178 VanDerWaalsContact C-N 3.33Å; R176-K178 PolarHBondContact O-N 3.31Å; K178-H181 WeakPolarHBondContact O-CB 3.33Å; K178-H181 PolarHBondContact O-N 3.32Å; K178-L182 WeakPolarHBondContact O-CB 3.49Å; K178-L182 VanDerWaalsContact O-CG 3.29Å; K178-L182 WeakPolarHBondContact O-CG 3.21Å; K178-L182 PolarHBondContact O-N 3.2Å |
| 179 | E | 66.3 | Low | 71.4 | Confident | 123 Ų | 123 | 115.4 Ų | 115.4 | 58% | 0.575 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.6 | -47.9 | 175.5 | -172.2 | 173.5 | -162.6 | 0 | 0 | 110.7 | M175 R176 H181 L182 E183 | M175-E179 WeakPolarHBondContact O-CB 3.34Å; M175-E179 PolarHBondContact O-N 2.84Å; R176-E179 PolarHBondContact O-N 3.13Å; E179-H181 PolarHBondContact O-N 3.21Å; E179-H181 VanDerWaalsContact O-N 3.13Å; E179-L182 PolarHBondContact O-N 3.49Å; E179-E183 VanDerWaalsContact O-CB 3.24Å; E179-E183 WeakPolarHBondContact O-CB 3.31Å; E179-E183 PolarHBondContact O-N 3.35Å |
| 180 | D | 70.3 | Confident | 70.3 | Confident | 77 Ų | 77 | 112.2 Ų | 112.2 | 41% | 0.412 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.9 | -26 | 174.6 | -75.6 | -12.1 | 0 | 0 | 0 | 113.3 | R176 R184 | R176-D180 PolarHBondContact O-N 2.99Å; D180-R184 PolarHBondContact O-NH1 3.49Å; D180-R184 PolarHBondContact O-NH2 3.28Å |
| 181 | H | 68.9 | Low | 69.5 | Low | 104 Ų | 104 | 108.3 Ų | 108.3 | 48% | 0.481 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -83.5 | -45.7 | 176.3 | -175.2 | 43.9 | 0 | 0 | 0 | 111.8 | K177 K178 E179 R184 E185 | K177-H181 PolarHBondContact O-N 3.47Å; K178-H181 WeakPolarHBondContact O-CB 3.33Å; K178-H181 PolarHBondContact O-N 3.32Å; E179-H181 PolarHBondContact O-N 3.21Å; E179-H181 VanDerWaalsContact O-N 3.13Å; H181-R184 PolarHBondContact O-N 2.76Å; H181-E185 PolarHBondContact O-N 2.75Å |
| 182 | L | 65.3 | Low | 68.5 | Low | 94 Ų | 94 | 110 Ų | 110 | 49% | 0.492 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.9 | -29 | 178.9 | -73.6 | 168 | 0 | 0 | 0 | 112.6 | K178 E179 R184 E185 M186 | K178-L182 WeakPolarHBondContact O-CB 3.49Å; K178-L182 VanDerWaalsContact O-CG 3.29Å; K178-L182 WeakPolarHBondContact O-CG 3.21Å; K178-L182 PolarHBondContact O-N 3.2Å; E179-L182 PolarHBondContact O-N 3.49Å; L182-R184 VanDerWaalsContact C-N 3.28Å; L182-R184 PolarHBondContact O-N 3.13Å; L182-E185 PolarHBondContact O-N 2.79Å; L182-M186 VanDerWaalsContact O-CB 3.22Å; L182-M186 WeakPolarHBondContact O-CB 3.3Å; L182-M186 PolarHBondContact O-N 3.44Å |
| 183 | E | 67.7 | Low | 67.5 | Low | 127 Ų | 127 | 109.3 Ų | 109.3 | 59% | 0.593 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.2 | -31.9 | 176.4 | -168.1 | 169.6 | -152.9 | 0 | 0 | 111.6 | E179 A187 | E179-E183 VanDerWaalsContact O-CB 3.24Å; E179-E183 WeakPolarHBondContact O-CB 3.31Å; E179-E183 PolarHBondContact O-N 3.35Å; E183-A187 PolarHBondContact O-N 3.22Å |
| 184 | R | 67.4 | Low | 66.5 | Low | 168 Ų | 168 | 112.4 Ų | 112.4 | 63% | 0.634 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -72.1 | -37.8 | 173.3 | -62.3 | -173.9 | -153.4 | 104.3 | 9.9 | 112.4 | D180 H181 L182 | D180-R184 PolarHBondContact O-NH1 3.49Å; D180-R184 PolarHBondContact O-NH2 3.28Å; H181-R184 PolarHBondContact O-N 2.76Å; L182-R184 VanDerWaalsContact C-N 3.28Å; L182-R184 PolarHBondContact O-N 3.13Å |
| 185 | E | 63.1 | Low | 65.7 | Low | 100 Ų | 100 | 119.1 Ų | 119.1 | 47% | 0.467 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -77.6 | -34.2 | 176.5 | -66.9 | -174.7 | 156.4 | 0 | 0 | 112.6 | H181 L182 A187 E188 V189 | H181-E185 PolarHBondContact O-N 2.75Å; L182-E185 PolarHBondContact O-N 2.79Å; E185-A187 PolarHBondContact O-N 3.39Å; E185-E188 PolarHBondContact O-N 3.29Å; E185-V189 WeakPolarHBondContact O-CG2 3.34Å; E185-V189 PolarHBondContact O-N 3.48Å; E185-V189 VanDerWaalsContact O-N 3.13Å |
| 186 | M | 58.3 | Low | 64.9 | Low | 133 Ų | 133 | 119.9 Ų | 119.9 | 66% | 0.655 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.1 | -32.6 | 175.3 | -96 | -126.3 | -72.7 | 0 | 0 | 112.8 | L182 E188 V189 S190 | L182-M186 VanDerWaalsContact O-CB 3.22Å; L182-M186 WeakPolarHBondContact O-CB 3.3Å; L182-M186 PolarHBondContact O-N 3.44Å; M186-E188 PolarHBondContact O-N 2.83Å; M186-V189 PolarHBondContact O-N 3.35Å; M186-S190 WeakPolarHBondContact O-CB 3.38Å; M186-S190 PolarHBondContact O-N 3.32Å |
| 187 | A | 66.1 | Low | 64.3 | Low | 74 Ų | 74 | 114.7 Ų | 114.7 | 61% | 0.612 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.3 | -33.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E183 E185 | E183-A187 PolarHBondContact O-N 3.22Å; E185-A187 PolarHBondContact O-N 3.39Å |
| 188 | E | 61.8 | Low | 63.7 | Low | 151 Ų | 151 | 114.2 Ų | 114.2 | 71% | 0.706 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -81.9 | -39.8 | -179.6 | -158 | 170 | -168.3 | 0 | 0 | 112.2 | E185 M186 | E185-E188 PolarHBondContact O-N 3.29Å; M186-E188 PolarHBondContact O-N 2.83Å |
| 189 | V | 63.3 | Low | 63.4 | Low | 89 Ų | 89 | 112.2 Ų | 112.2 | 54% | 0.539 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -76.2 | -34.6 | 178 | 176 | 0 | 0 | 0 | 0 | 112.8 | E185 M186 G191 Q192 N193 | E185-V189 WeakPolarHBondContact O-CG2 3.34Å; E185-V189 PolarHBondContact O-N 3.48Å; E185-V189 VanDerWaalsContact O-N 3.13Å; M186-V189 PolarHBondContact O-N 3.35Å; V189-G191 VanDerWaalsContact C-N 3.29Å; V189-G191 PolarHBondContact O-N 2.92Å; V189-Q192 PolarHBondContact O-N 2.9Å; V189-Q192 VanDerWaalsContact O-N 3.12Å; V189-N193 PolarHBondContact O-N 3.35Å |
| 190 | S | 59.7 | Low | 63.4 | Low | 55 Ų | 55 | 111.4 Ų | 111.4 | 39% | 0.385 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.4 | -31.2 | 178 | -175.6 | 0 | 0 | 0 | 0 | 112.8 | M186 Q192 K194 | M186-S190 WeakPolarHBondContact O-CB 3.38Å; M186-S190 PolarHBondContact O-N 3.32Å; S190-Q192 VanDerWaalsContact C-N 3.3Å; S190-Q192 PolarHBondContact O-N 3.44Å; S190-K194 PolarHBondContact O-N 3.46Å |
| 191 | G | 66.4 | Low | 63.5 | Low | 51 Ų | 51 | 112.9 Ų | 112.9 | 53% | 0.526 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.8 | -31.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V189 | V189-G191 VanDerWaalsContact C-N 3.29Å; V189-G191 PolarHBondContact O-N 2.92Å |
| 192 | Q | 60.2 | Low | 63.6 | Low | 145 Ų | 145 | 114.4 Ų | 114.4 | 68% | 0.678 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -88.5 | -36.1 | 179.7 | -63.1 | -174.1 | -1 | 0 | 0 | 112.4 | V189 S190 R195 | V189-Q192 PolarHBondContact O-N 2.9Å; V189-Q192 VanDerWaalsContact O-N 3.12Å; S190-Q192 VanDerWaalsContact C-N 3.3Å; S190-Q192 PolarHBondContact O-N 3.44Å; Q192-R195 PolarHBondContact O-N 2.99Å |
| 193 | N | 58 | Low | 64 | Low | 109 Ų | 109 | 112.5 Ų | 112.5 | 58% | 0.583 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -73.9 | -29.2 | -176.6 | -147.1 | 2.7 | 0 | 0 | 0 | 113.4 | V189 R195 L196 A197 | V189-N193 PolarHBondContact O-N 3.35Å; N193-R195 PolarHBondContact O-N 2.85Å; N193-L196 PolarHBondContact O-N 3.37Å; N193-A197 PolarHBondContact O-N 3.5Å |
| 194 | K | 58.1 | Low | 64.2 | Low | 158 Ų | 158 | 114.7 Ų | 114.7 | 69% | 0.687 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -19.6 | 173.8 | -89.7 | 179.7 | 175.5 | 173.4 | 0 | 114.7 | S190 | S190-K194 PolarHBondContact O-N 3.46Š|
| 195 | R | 60.3 | Low | 64.7 | Low | 218 Ų | 218 | 111.8 Ų | 111.8 | 82% | 0.823 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -15.9 | 178.3 | -82.7 | -176.6 | 177.6 | -177.7 | 0.2 | 114.4 | Q192 N193 | Q192-R195 PolarHBondContact O-N 2.99Å; N193-R195 PolarHBondContact O-N 2.85Å |
| 196 | L | 59 | Low | 65.5 | Low | 134 Ų | 134 | 113.2 Ų | 113.2 | 70% | 0.702 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | -17.2 | -171.6 | -68.2 | 169.3 | 0 | 0 | 0 | 114.4 | N193 | N193-L196 PolarHBondContact O-N 3.37Š|
| 197 | A | 61.3 | Low | 66.4 | Low | 49 Ų | 49 | 112.8 Ų | 112.8 | 41% | 0.405 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -75.7 | -38.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | N193 L200 Q201 | N193-A197 PolarHBondContact O-N 3.5Å; A197-L200 PolarHBondContact O-N 3.42Å; A197-Q201 PolarHBondContact O-N 3.18Å |
| 198 | D | 62.5 | Low | 67.1 | Low | 113 Ų | 113 | 111.8 Ų | 111.8 | 60% | 0.604 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.5 | -39.1 | -173.4 | -69.6 | -8.9 | 0 | 0 | 0 | 114.8 | L200 K202 | D198-L200 VanDerWaalsContact C-N 3.34Å; D198-K202 PolarHBondContact O-N 3.47Å |
| 199 | P | 68.3 | Low | 68.2 | Low | 84 Ų | 84 | 109.4 Ų | 109.4 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.1 | -32.9 | 175.8 | -19.9 | 32.9 | 0 | 0 | 0 | 113.1 | A203 | P199-A203 PolarHBondContact O-N 2.98Å |
| 200 | L | 65.9 | Low | 69.1 | Low | 107 Ų | 107 | 111.1 Ų | 111.1 | 56% | 0.56 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -73.6 | -36.9 | -177.4 | -167.4 | 77.3 | 0 | 0 | 0 | 111.8 | A197 D198 R204 | A197-L200 PolarHBondContact O-N 3.42Å; D198-L200 VanDerWaalsContact C-N 3.34Å; L200-R204 WeakPolarHBondContact O-CG 3.38Å; L200-R204 PolarHBondContact O-N 3.46Å |
| 201 | Q | 72.1 | Confident | 70.1 | Confident | 108 Ų | 108 | 114.2 Ų | 114.2 | 51% | 0.505 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66 | -45.5 | 176.6 | -174.4 | 68.1 | 21.2 | 0 | 0 | 111.3 | A197 A203 R204 E205 | A197-Q201 PolarHBondContact O-N 3.18Å; Q201-A203 PolarHBondContact O-N 2.9Å; Q201-R204 PolarHBondContact O-N 3.17Å; Q201-E205 PolarHBondContact NE2-OE1 3.12Å; Q201-E205 PolarHBondContact O-N 3.39Å; Q201-E205 VanDerWaalsContact O-N 3.08Å |
| 202 | K | 71.8 | Confident | 71 | Confident | 135 Ų | 135 | 117.5 Ų | 117.5 | 59% | 0.587 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.6 | -44.4 | 177.9 | -73 | -179.5 | 178.9 | 178.5 | 0 | 112.8 | D198 R204 E205 E206 | D198-K202 PolarHBondContact O-N 3.47Å; K202-R204 VanDerWaalsContact C-N 3.29Å; K202-R204 PolarHBondContact O-N 3.05Å; K202-E205 PolarHBondContact O-N 3.25Å; K202-E206 WeakPolarHBondContact O-CG 3.41Å; K202-E206 PolarHBondContact O-N 3.45Å |
| 203 | A | 72.4 | Confident | 72.2 | Confident | 54 Ų | 54 | 115.6 Ų | 115.6 | 45% | 0.446 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.6 | -33.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P199 Q201 M207 | P199-A203 PolarHBondContact O-N 2.98Å; Q201-A203 PolarHBondContact O-N 2.9Å; A203-M207 WeakPolarHBondContact O-CB 3.43Å; A203-M207 PolarHBondContact O-N 3.48Å |
| 204 | R | 72.9 | Confident | 73.7 | Confident | 173 Ų | 173 | 115.3 Ų | 115.3 | 65% | 0.653 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -71.2 | -39.3 | 175.7 | -77.3 | -178.9 | 176 | -166.1 | -0.1 | 112.5 | L200 Q201 K202 M207 S208 | L200-R204 WeakPolarHBondContact O-CG 3.38Å; L200-R204 PolarHBondContact O-N 3.46Å; Q201-R204 PolarHBondContact O-N 3.17Å; K202-R204 VanDerWaalsContact C-N 3.29Å; K202-R204 PolarHBondContact O-N 3.05Å; R204-M207 PolarHBondContact O-N 3.32Å; R204-S208 PolarHBondContact O-N 2.83Å; R204-S208 VanDerWaalsContact O-N 3.08Å |
| 205 | E | 77.2 | Confident | 75.1 | Confident | 108 Ų | 108 | 109.8 Ų | 109.8 | 51% | 0.505 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 176.3 | -72.8 | 169.6 | -170.6 | 0 | 0 | 111.1 | Q201 K202 M207 S208 E209 | Q201-E205 PolarHBondContact NE2-OE1 3.12Å; Q201-E205 PolarHBondContact O-N 3.39Å; Q201-E205 VanDerWaalsContact O-N 3.08Å; K202-E205 PolarHBondContact O-N 3.25Å; E205-M207 VanDerWaalsContact C-N 3.34Å; E205-M207 PolarHBondContact O-N 2.85Å; E205-S208 WeakPolarHBondContact O-CB 3.36Å; E205-S208 PolarHBondContact O-N 2.88Å; E205-E209 PolarHBondContact O-N 3.41Å |
| 206 | E | 79.7 | Confident | 76.5 | Confident | 130 Ų | 130 | 103 Ų | 103 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.2 | -40.6 | 174.9 | -72.2 | 173.6 | -173.8 | 0 | 0 | 112.2 | K202 S208 E209 M210 | K202-E206 WeakPolarHBondContact O-CG 3.41Å; K202-E206 PolarHBondContact O-N 3.45Å; E206-S208 PolarHBondContact O-N 3.38Å; E206-E209 PolarHBondContact O-N 3.27Å; E206-M210 WeakPolarHBondContact O-CB 3.29Å; E206-M210 VanDerWaalsContact O-CG 3.22Å; E206-M210 WeakPolarHBondContact O-CG 3.44Å; E206-M210 PolarHBondContact O-N 2.88Å |
| 207 | M | 78.2 | Confident | 78.1 | Confident | 124 Ų | 124 | 104.1 Ų | 104.1 | 61% | 0.611 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.9 | -37.9 | 177.3 | -168.1 | 165 | -166.5 | 0 | 0 | 112.4 | A203 R204 E205 Q211 | A203-M207 WeakPolarHBondContact O-CB 3.43Å; A203-M207 PolarHBondContact O-N 3.48Å; R204-M207 PolarHBondContact O-N 3.32Å; E205-M207 VanDerWaalsContact C-N 3.34Å; E205-M207 PolarHBondContact O-N 2.85Å; M207-Q211 WeakPolarHBondContact O-CG 3.18Å; M207-Q211 PolarHBondContact O-N 3.42Å |
| 208 | S | 80.8 | Confident | 79.4 | Confident | 52 Ų | 52 | 107.4 Ų | 107.4 | 36% | 0.364 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 174.3 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | R204 E205 E206 Q211 K212 | R204-S208 PolarHBondContact O-N 2.83Å; R204-S208 VanDerWaalsContact O-N 3.08Å; E205-S208 WeakPolarHBondContact O-CB 3.36Å; E205-S208 PolarHBondContact O-N 2.88Å; E206-S208 PolarHBondContact O-N 3.38Å; S208-Q211 PolarHBondContact O-N 3.31Å; S208-K212 WeakPolarHBondContact O-CG 3.43Å; S208-K212 PolarHBondContact O-N 2.87Å; S208-K212 VanDerWaalsContact O-N 3.09Å |
| 209 | E | 85.1 | Confident | 80.8 | Confident | 102 Ų | 102 | 108.5 Ų | 108.5 | 48% | 0.477 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 176.8 | -159.2 | 71.9 | -158.5 | 0 | 0 | 111.2 | E205 E206 Q211 K212 Q213 | E205-E209 PolarHBondContact O-N 3.41Å; E206-E209 PolarHBondContact O-N 3.27Å; E209-Q211 PolarHBondContact O-N 2.95Å; E209-K212 PolarHBondContact O-N 3.23Å; E209-Q213 WeakPolarHBondContact O-CG 3.46Å; E209-Q213 PolarHBondContact O-N 2.96Å |
| 210 | M | 82 | Confident | 81.9 | Confident | 124 Ų | 124 | 109.1 Ų | 109.1 | 61% | 0.611 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.2 | -37.3 | 178.7 | -69 | -67.4 | -99 | 0 | 0 | 112.3 | E206 Q213 L214 | E206-M210 WeakPolarHBondContact O-CB 3.29Å; E206-M210 VanDerWaalsContact O-CG 3.22Å; E206-M210 WeakPolarHBondContact O-CG 3.44Å; E206-M210 PolarHBondContact O-N 2.88Å; M210-Q213 PolarHBondContact O-N 3.48Å; M210-L214 WeakPolarHBondContact O-CB 3.45Å; M210-L214 PolarHBondContact O-N 3.44Å |
| 211 | Q | 80.1 | Confident | 83.2 | Confident | 121 Ų | 121 | 109.9 Ų | 109.9 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.2 | -40.3 | 173.9 | -78.1 | 179.1 | -12.1 | 0 | 0 | 112.2 | M207 S208 E209 L214 A215 | M207-Q211 WeakPolarHBondContact O-CG 3.18Å; M207-Q211 PolarHBondContact O-N 3.42Å; S208-Q211 PolarHBondContact O-N 3.31Å; E209-Q211 PolarHBondContact O-N 2.95Å; Q211-L214 PolarHBondContact O-N 2.97Å; Q211-A215 PolarHBondContact O-N 3.47Å; Q211-A215 VanDerWaalsContact O-N 3.08Å |
| 212 | K | 84.9 | Confident | 84.1 | Confident | 119 Ų | 119 | 110.5 Ų | 110.5 | 52% | 0.517 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 174.2 | -70.5 | 172.9 | -172.7 | 169.2 | 0 | 111.8 | S208 E209 A215 N216 | S208-K212 WeakPolarHBondContact O-CG 3.43Å; S208-K212 PolarHBondContact O-N 2.87Å; S208-K212 VanDerWaalsContact O-N 3.09Å; E209-K212 PolarHBondContact O-N 3.23Å; K212-A215 PolarHBondContact O-N 3.22Å; K212-N216 VanDerWaalsContact O-CG 3.26Å; K212-N216 PolarHBondContact O-N 3.04Å; K212-N216 PolarHBondContact O-ND2 3.02Å |
| 213 | Q | 86.5 | Confident | 85.1 | Confident | 106 Ų | 106 | 108.3 Ų | 108.3 | 50% | 0.495 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 177.9 | -71.6 | -179.9 | 8.2 | 0 | 0 | 111.9 | E209 M210 N216 Y217 | E209-Q213 WeakPolarHBondContact O-CG 3.46Å; E209-Q213 PolarHBondContact O-N 2.96Å; M210-Q213 PolarHBondContact O-N 3.48Å; Q213-N216 PolarHBondContact O-N 3.44Å; Q213-Y217 WeakPolarHBondContact O-CB 3.49Å; Q213-Y217 PolarHBondContact O-N 3.46Å |
| 214 | L | 88.2 | Confident | 86.1 | Confident | 103 Ų | 103 | 110.2 Ų | 110.2 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 176.4 | -170.5 | 71.4 | 0 | 0 | 0 | 111.8 | M210 Q211 N216 Y217 E218 | M210-L214 WeakPolarHBondContact O-CB 3.45Å; M210-L214 PolarHBondContact O-N 3.44Å; Q211-L214 PolarHBondContact O-N 2.97Å; L214-N216 VanDerWaalsContact C-N 3.29Å; L214-N216 PolarHBondContact O-N 2.88Å; L214-Y217 PolarHBondContact O-N 3.32Å; L214-E218 WeakPolarHBondContact O-CG 3.33Å; L214-E218 PolarHBondContact O-N 3.41Å |
| 215 | A | 87.9 | Confident | 87.1 | Confident | 42 Ų | 42 | 106.5 Ų | 106.5 | 35% | 0.347 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -36.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q211 K212 R219 | Q211-A215 PolarHBondContact O-N 3.47Å; Q211-A215 VanDerWaalsContact O-N 3.08Å; K212-A215 PolarHBondContact O-N 3.22Å; A215-R219 PolarHBondContact O-N 3.33Å; A215-R219 VanDerWaalsContact O-N 3.16Å |
| 216 | N | 90.7 | Very high | 87.8 | Confident | 76 Ų | 76 | 105.3 Ų | 105.3 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.9 | -45.5 | 173.6 | -70.4 | -17.2 | 0 | 0 | 0 | 111.5 | K212 Q213 L214 E218 R219 D220 | K212-N216 VanDerWaalsContact O-CG 3.26Å; K212-N216 PolarHBondContact O-N 3.04Å; K212-N216 PolarHBondContact O-ND2 3.02Å; Q213-N216 PolarHBondContact O-N 3.44Å; L214-N216 VanDerWaalsContact C-N 3.29Å; L214-N216 PolarHBondContact O-N 2.88Å; N216-E218 VanDerWaalsContact C-N 3.34Å; N216-E218 PolarHBondContact O-N 3.48Å; N216-R219 WeakPolarHBondContact O-CB 3.34Å; N216-R219 PolarHBondContact O-N 2.87Å; N216-R219 VanDerWaalsContact O-N 3.17Å; N216-R219 PolarHBondContact OD1-NH1 2.83Å; N216-D220 VanDerWaalsContact O-CG 3.28Å; N216-D220 PolarHBondContact O-N 3.16Å |
| 217 | Y | 91.4 | Very high | 88.4 | Confident | 156 Ų | 156 | 102.3 Ų | 102.3 | 61% | 0.612 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.2 | -41.5 | 177.2 | -179.1 | -97.4 | 0 | 0 | 0 | 112.6 | Q213 L214 D220 K221 | Q213-Y217 WeakPolarHBondContact O-CB 3.49Å; Q213-Y217 PolarHBondContact O-N 3.46Å; L214-Y217 PolarHBondContact O-N 3.32Å; Y217-D220 PolarHBondContact O-N 3.06Å; Y217-K221 WeakPolarHBondContact O-CB 3.48Å; Y217-K221 PolarHBondContact O-N 3.37Å |
| 218 | E | 89.8 | Confident | 89.2 | Confident | 118 Ų | 118 | 102.7 Ų | 102.7 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.2 | -41.1 | 175.3 | -73.6 | -179.7 | 168.9 | 0 | 0 | 112.2 | L214 N216 K221 Q222 | L214-E218 WeakPolarHBondContact O-CG 3.33Å; L214-E218 PolarHBondContact O-N 3.41Å; N216-E218 VanDerWaalsContact C-N 3.34Å; N216-E218 PolarHBondContact O-N 3.48Å; E218-K221 PolarHBondContact O-N 3.49Å; E218-Q222 WeakPolarHBondContact O-CG 3.45Å; E218-Q222 PolarHBondContact O-N 3.03Å; E218-Q222 VanDerWaalsContact O-N 3.16Å |
| 219 | R | 90.6 | Very high | 89.7 | Confident | 136 Ų | 136 | 103 Ų | 103 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 174.9 | -167.6 | -175.9 | -57.6 | 101.7 | 2.9 | 111.3 | A215 N216 K221 Q222 I223 | A215-R219 PolarHBondContact O-N 3.33Å; A215-R219 VanDerWaalsContact O-N 3.16Å; N216-R219 WeakPolarHBondContact O-CB 3.34Å; N216-R219 PolarHBondContact O-N 2.87Å; N216-R219 VanDerWaalsContact O-N 3.17Å; N216-R219 PolarHBondContact OD1-NH1 2.83Å; R219-K221 VanDerWaalsContact C-N 3.31Å; R219-K221 PolarHBondContact O-N 3.35Å; R219-Q222 PolarHBondContact O-N 3.41Å; R219-Q222 VanDerWaalsContact O-N 3.15Å; R219-I223 HydrophobicContact CG-CD1 4.13Å; R219-I223 WeakPolarHBondContact O-CG1 3.31Å; R219-I223 PolarHBondContact O-N 2.95Å |
| 220 | D | 91.9 | Very high | 90.1 | Very high | 97 Ų | 97 | 107 Ų | 107 | 52% | 0.519 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 179.7 | -69.6 | -15.5 | 0 | 0 | 0 | 111.5 | N216 Y217 Q222 I223 L224 | N216-D220 VanDerWaalsContact O-CG 3.28Å; N216-D220 PolarHBondContact O-N 3.16Å; Y217-D220 PolarHBondContact O-N 3.06Å; D220-Q222 VanDerWaalsContact C-N 3.33Å; D220-Q222 PolarHBondContact O-N 2.95Å; D220-I223 PolarHBondContact O-N 3.47Å; D220-L224 WeakPolarHBondContact O-CB 3.26Å; D220-L224 PolarHBondContact O-N 3.43Å |
| 221 | K | 93.4 | Very high | 90.7 | Very high | 123 Ų | 123 | 105.7 Ų | 105.7 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 173.9 | -173.7 | 178.9 | 178.7 | -178 | 0 | 111.9 | Y217 E218 R219 L224 L225 | Y217-K221 WeakPolarHBondContact O-CB 3.48Å; Y217-K221 PolarHBondContact O-N 3.37Å; E218-K221 PolarHBondContact O-N 3.49Å; R219-K221 VanDerWaalsContact C-N 3.31Å; R219-K221 PolarHBondContact O-N 3.35Å; K221-L224 PolarHBondContact O-N 3.13Å; K221-L225 WeakPolarHBondContact O-CG 3.25Å; K221-L225 PolarHBondContact O-N 3.4Å; K221-L225 VanDerWaalsContact O-N 3.08Å |
| 222 | Q | 91.5 | Very high | 91.5 | Very high | 121 Ų | 121 | 107.3 Ų | 107.3 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.9 | -42.4 | 176.1 | -68.9 | -64.5 | -0.1 | 0 | 0 | 112.2 | E218 R219 D220 L224 L225 C226 | E218-Q222 WeakPolarHBondContact O-CG 3.45Å; E218-Q222 PolarHBondContact O-N 3.03Å; E218-Q222 VanDerWaalsContact O-N 3.16Å; R219-Q222 PolarHBondContact O-N 3.41Å; R219-Q222 VanDerWaalsContact O-N 3.15Å; D220-Q222 VanDerWaalsContact C-N 3.33Å; D220-Q222 PolarHBondContact O-N 2.95Å; Q222-L224 VanDerWaalsContact C-N 3.29Å; Q222-L224 PolarHBondContact O-N 2.74Å; Q222-L225 PolarHBondContact O-N 3.36Å; Q222-C226 PolarHBondContact O-N 2.86Å; Q222-C226 PolarHBondContact O-SG 2.91Å |
| 223 | I | 92.5 | Very high | 92 | Very high | 90 Ų | 90 | 105.6 Ų | 105.6 | 46% | 0.462 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 174.7 | -66.2 | 167.4 | 0 | 0 | 0 | 110.4 | R219 D220 L225 C226 T227 | R219-I223 HydrophobicContact CG-CD1 4.13Å; R219-I223 WeakPolarHBondContact O-CG1 3.31Å; R219-I223 PolarHBondContact O-N 2.95Å; D220-I223 PolarHBondContact O-N 3.47Å; I223-L225 VanDerWaalsContact C-N 3.35Å; I223-L225 PolarHBondContact O-N 3.33Å; I223-C226 PolarHBondContact O-N 3.27Å; I223-T227 HydrophobicContact CG2-CG2 4.17Å; I223-T227 WeakPolarHBondContact O-CB 3.49Å; I223-T227 VanDerWaalsContact O-CG2 3.3Å; I223-T227 WeakPolarHBondContact O-CG2 3.43Å; I223-T227 PolarHBondContact O-N 3.4Å; I223-T227 PolarHBondContact O-OG1 3.47Å |
| 224 | L | 93.3 | Very high | 92.3 | Very high | 93 Ų | 93 | 108 Ų | 108 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 177.7 | -176.4 | 62.7 | 0 | 0 | 0 | 112.1 | D220 K221 Q222 T227 K228 | D220-L224 WeakPolarHBondContact O-CB 3.26Å; D220-L224 PolarHBondContact O-N 3.43Å; K221-L224 PolarHBondContact O-N 3.13Å; Q222-L224 VanDerWaalsContact C-N 3.29Å; Q222-L224 PolarHBondContact O-N 2.74Å; L224-T227 VanDerWaalsContact CA-OG1 3.27Å; L224-T227 WeakPolarHBondContact CA-OG1 3.41Å; L224-T227 PolarHBondContact O-OG1 2.83Å; L224-K228 HydrophobicContact CD1-CG 4.44Å; L224-K228 HydrophobicContact CG-CD 4.48Å; L224-K228 WeakPolarHBondContact O-CB 3.41Å; L224-K228 WeakPolarHBondContact O-CG 3.4Å; L224-K228 PolarHBondContact O-N 2.96Å |
| 225 | L | 93.4 | Very high | 92.7 | Very high | 96 Ų | 96 | 107.9 Ų | 107.9 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.9 | -48 | 175.3 | -73.4 | 170.4 | 0 | 0 | 0 | 111.4 | K221 Q222 I223 T227 K228 A229 | K221-L225 WeakPolarHBondContact O-CG 3.25Å; K221-L225 PolarHBondContact O-N 3.4Å; K221-L225 VanDerWaalsContact O-N 3.08Å; Q222-L225 PolarHBondContact O-N 3.36Å; I223-L225 VanDerWaalsContact C-N 3.35Å; I223-L225 PolarHBondContact O-N 3.33Å; L225-T227 PolarHBondContact O-N 2.83Å; L225-K228 PolarHBondContact O-N 3.2Å; L225-A229 PolarHBondContact O-N 3.15Å |
| 226 | C | 91.9 | Very high | 93 | Very high | 82 Ų | 82 | 112.4 Ų | 112.4 | 55% | 0.554 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.5 | -41.9 | 177.7 | -70.7 | 0 | 0 | 0 | 0 | 112.4 | Q222 I223 A229 R230 | Q222-C226 PolarHBondContact O-N 2.86Å; Q222-C226 PolarHBondContact O-SG 2.91Å; I223-C226 PolarHBondContact O-N 3.27Å; C226-A229 PolarHBondContact O-N 3Å; C226-R230 PolarHBondContact O-N 3.37Å |
| 227 | T | 92.3 | Very high | 93.2 | Very high | 68 Ų | 68 | 112.9 Ų | 112.9 | 42% | 0.417 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.3 | -40.3 | 178.5 | 50.4 | 0 | 0 | 0 | 0 | 112 | I223 L224 L225 A229 R230 L231 | I223-T227 HydrophobicContact CG2-CG2 4.17Å; I223-T227 WeakPolarHBondContact O-CB 3.49Å; I223-T227 VanDerWaalsContact O-CG2 3.3Å; I223-T227 WeakPolarHBondContact O-CG2 3.43Å; I223-T227 PolarHBondContact O-N 3.4Å; I223-T227 PolarHBondContact O-OG1 3.47Å; L224-T227 VanDerWaalsContact CA-OG1 3.27Å; L224-T227 WeakPolarHBondContact CA-OG1 3.41Å; L224-T227 PolarHBondContact O-OG1 2.83Å; L225-T227 PolarHBondContact O-N 2.83Å; T227-A229 PolarHBondContact O-N 3.47Å; T227-R230 PolarHBondContact O-N 3.42Å; T227-L231 WeakPolarHBondContact O-CB 3.5Å; T227-L231 PolarHBondContact O-N 3.42Å |
| 228 | K | 94.3 | Very high | 93.4 | Very high | 132 Ų | 132 | 110.2 Ų | 110.2 | 57% | 0.574 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.9 | -42.2 | 172.5 | -80.2 | -176.1 | 176.5 | -175.9 | 0 | 112.5 | L224 L225 L231 K232 | L224-K228 HydrophobicContact CD1-CG 4.44Å; L224-K228 HydrophobicContact CG-CD 4.48Å; L224-K228 WeakPolarHBondContact O-CB 3.41Å; L224-K228 WeakPolarHBondContact O-CG 3.4Å; L224-K228 PolarHBondContact O-N 2.96Å; L225-K228 PolarHBondContact O-N 3.2Å; K228-L231 PolarHBondContact O-N 2.97Å; K228-K232 PolarHBondContact O-N 3.2Å |
| 229 | A | 92.9 | Very high | 93.7 | Very high | 59 Ų | 59 | 111.3 Ų | 111.3 | 49% | 0.488 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L225 C226 T227 K232 V233 | L225-A229 PolarHBondContact O-N 3.15Å; C226-A229 PolarHBondContact O-N 3Å; T227-A229 PolarHBondContact O-N 3.47Å; A229-K232 PolarHBondContact O-N 3.37Å; A229-V233 WeakPolarHBondContact O-CG2 3.27Å; A229-V233 PolarHBondContact O-N 2.89Å |
| 230 | R | 93.2 | Very high | 93.9 | Very high | 184 Ų | 184 | 108.5 Ų | 108.5 | 69% | 0.694 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60 | -44.3 | 173.6 | -96.4 | 173.3 | 61.1 | 171.7 | -1.7 | 112.4 | C226 T227 K232 V233 R234 | C226-R230 PolarHBondContact O-N 3.37Å; T227-R230 PolarHBondContact O-N 3.42Å; R230-K232 VanDerWaalsContact C-N 3.35Å; R230-K232 PolarHBondContact O-N 3.21Å; R230-V233 PolarHBondContact O-N 3.47Å; R230-R234 WeakPolarHBondContact O-CG 3.4Å; R230-R234 PolarHBondContact O-N 3.18Å |
| 231 | L | 94.3 | Very high | 94 | Very high | 97 Ų | 97 | 109.2 Ų | 109.2 | 51% | 0.508 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 179.2 | -178.6 | 64 | 0 | 0 | 0 | 110.8 | T227 K228 V233 R234 E235 | T227-L231 WeakPolarHBondContact O-CB 3.5Å; T227-L231 PolarHBondContact O-N 3.42Å; K228-L231 PolarHBondContact O-N 2.97Å; L231-V233 VanDerWaalsContact C-N 3.3Å; L231-V233 PolarHBondContact O-N 2.93Å; L231-R234 PolarHBondContact O-N 3.11Å; L231-R234 VanDerWaalsContact O-N 3.12Å; L231-E235 HydrophobicContact CD1-CG 4.34Å; L231-E235 HydrophobicContact CG-CG 4.34Å; L231-E235 WeakPolarHBondContact O-CG 3.37Å; L231-E235 PolarHBondContact O-N 3.32Å |
| 232 | K | 96 | Very high | 94.1 | Very high | 156 Ų | 156 | 108.8 Ų | 108.8 | 68% | 0.678 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.9 | -39.3 | 178.1 | -173.1 | 177.5 | -179.3 | 179.7 | 0 | 112.9 | K228 A229 R230 K236 | K228-K232 PolarHBondContact O-N 3.2Å; A229-K232 PolarHBondContact O-N 3.37Å; R230-K232 VanDerWaalsContact C-N 3.35Å; R230-K232 PolarHBondContact O-N 3.21Å; K232-K236 PolarHBondContact O-N 2.94Å |
| 233 | V | 95.8 | Very high | 94.4 | Very high | 82 Ų | 82 | 111.5 Ų | 111.5 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.5 | -47.5 | 175.1 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | A229 R230 L231 E235 K236 E237 | A229-V233 WeakPolarHBondContact O-CG2 3.27Å; A229-V233 PolarHBondContact O-N 2.89Å; R230-V233 PolarHBondContact O-N 3.47Å; L231-V233 VanDerWaalsContact C-N 3.3Å; L231-V233 PolarHBondContact O-N 2.93Å; V233-E235 PolarHBondContact O-N 2.92Å; V233-K236 WeakPolarHBondContact O-CB 3.49Å; V233-K236 PolarHBondContact O-N 3.4Å; V233-K236 VanDerWaalsContact O-N 3.17Å; V233-E237 WeakPolarHBondContact O-CG 3.36Å; V233-E237 PolarHBondContact O-N 2.94Å |
| 234 | R | 93.7 | Very high | 94.5 | Very high | 158 Ų | 158 | 112.6 Ų | 112.6 | 60% | 0.596 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.7 | -37.3 | 178.5 | -66.2 | -51 | -173.8 | 175.6 | -1.9 | 113.2 | R230 L231 K236 E237 L238 | R230-R234 WeakPolarHBondContact O-CG 3.4Å; R230-R234 PolarHBondContact O-N 3.18Å; L231-R234 PolarHBondContact O-N 3.11Å; L231-R234 VanDerWaalsContact O-N 3.12Å; R234-K236 VanDerWaalsContact C-N 3.31Å; R234-K236 PolarHBondContact O-N 2.9Å; R234-E237 WeakPolarHBondContact CD-OE2 3.46Å; R234-E237 IonicContact CZ-OE2 3.69Å; R234-E237 IonicContact NE-OE2 3.99Å; R234-E237 IonicContact NH1-OE1 2.87Å; R234-E237 IonicContact NH1-OE2 3.83Å; R234-E237 PolarHBondContact NH1-OE2 2.86Å; R234-E237 PolarHBondContact O-N 3.24Å; R234-L238 WeakPolarHBondContact O-CB 3.48Å; R234-L238 PolarHBondContact O-N 3.47Å |
| 235 | E | 95.2 | Very high | 94.5 | Very high | 99 Ų | 99 | 113.4 Ų | 113.4 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.7 | -37.5 | 174.4 | -75.7 | 177 | 164 | 0 | 0 | 112.1 | L231 V233 K239 | L231-E235 HydrophobicContact CD1-CG 4.34Å; L231-E235 HydrophobicContact CG-CG 4.34Å; L231-E235 WeakPolarHBondContact O-CG 3.37Å; L231-E235 PolarHBondContact O-N 3.32Å; V233-E235 PolarHBondContact O-N 2.92Å; E235-K239 WeakPolarHBondContact O-CG 3.41Å; E235-K239 PolarHBondContact O-N 2.88Å; E235-K239 VanDerWaalsContact O-N 3.17Å |
| 236 | K | 95.8 | Very high | 94.7 | Very high | 138 Ų | 138 | 113.5 Ų | 113.5 | 60% | 0.6 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.4 | -50.2 | 174.3 | -173.5 | -173.9 | 172.3 | -171.8 | 0 | 110.7 | K232 V233 R234 L238 K239 D240 | K232-K236 PolarHBondContact O-N 2.94Å; V233-K236 WeakPolarHBondContact O-CB 3.49Å; V233-K236 PolarHBondContact O-N 3.4Å; V233-K236 VanDerWaalsContact O-N 3.17Å; R234-K236 VanDerWaalsContact C-N 3.31Å; R234-K236 PolarHBondContact O-N 2.9Å; K236-L238 VanDerWaalsContact C-N 3.26Å; K236-L238 PolarHBondContact O-N 2.85Å; K236-K239 PolarHBondContact O-N 3.15Å; K236-K239 VanDerWaalsContact O-N 3.11Å; K236-D240 VanDerWaalsContact O-CG 3.3Å; K236-D240 PolarHBondContact O-N 3.4Å |
| 237 | E | 94.9 | Very high | 94.9 | Very high | 86 Ų | 86 | 111.3 Ų | 111.3 | 40% | 0.402 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.3 | -41.3 | 177 | -70.3 | 171.5 | -179.7 | 0 | 0 | 111.8 | V233 R234 D240 L241 | V233-E237 WeakPolarHBondContact O-CG 3.36Å; V233-E237 PolarHBondContact O-N 2.94Å; R234-E237 WeakPolarHBondContact CD-OE2 3.46Å; R234-E237 IonicContact CZ-OE2 3.69Å; R234-E237 IonicContact NE-OE2 3.99Å; R234-E237 IonicContact NH1-OE1 2.87Å; R234-E237 IonicContact NH1-OE2 3.83Å; R234-E237 PolarHBondContact NH1-OE2 2.86Å; R234-E237 PolarHBondContact O-N 3.24Å; E237-D240 PolarHBondContact O-N 2.95Å; E237-L241 WeakPolarHBondContact O-CB 3.4Å; E237-L241 PolarHBondContact O-N 3.09Å |
| 238 | L | 94.8 | Very high | 95 | Very high | 100 Ų | 100 | 113.5 Ų | 113.5 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 177.1 | -178.1 | 66.8 | 0 | 0 | 0 | 111.9 | R234 K236 L241 Q242 | R234-L238 WeakPolarHBondContact O-CB 3.48Å; R234-L238 PolarHBondContact O-N 3.47Å; K236-L238 VanDerWaalsContact C-N 3.26Å; K236-L238 PolarHBondContact O-N 2.85Å; L238-L241 PolarHBondContact O-N 3.43Å; L238-Q242 WeakPolarHBondContact O-CB 3.29Å; L238-Q242 VanDerWaalsContact O-CG 3.24Å; L238-Q242 WeakPolarHBondContact O-CG 3.49Å; L238-Q242 PolarHBondContact O-N 3.1Å |
| 239 | K | 96.2 | Very high | 95.1 | Very high | 140 Ų | 140 | 111.8 Ų | 111.8 | 61% | 0.609 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.6 | -42.3 | 177.6 | -72.6 | 178.7 | -173.9 | -176.9 | 0 | 111.9 | E235 K236 L241 Q242 W243 | E235-K239 WeakPolarHBondContact O-CG 3.41Å; E235-K239 PolarHBondContact O-N 2.88Å; E235-K239 VanDerWaalsContact O-N 3.17Å; K236-K239 PolarHBondContact O-N 3.15Å; K236-K239 VanDerWaalsContact O-N 3.11Å; K239-L241 VanDerWaalsContact C-N 3.34Å; K239-Q242 PolarHBondContact O-N 3.06Å; K239-W243 PolarHBondContact O-N 3.08Å |
| 240 | D | 94.7 | Very high | 95.2 | Very high | 78 Ų | 78 | 114.7 Ų | 114.7 | 42% | 0.417 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 177.1 | -65.2 | -17.5 | 0 | 0 | 0 | 109.7 | K236 E237 Q242 W243 E244 | K236-D240 VanDerWaalsContact O-CG 3.3Å; K236-D240 PolarHBondContact O-N 3.4Å; E237-D240 PolarHBondContact O-N 2.95Å; D240-Q242 PolarHBondContact O-N 3.36Å; D240-W243 PolarHBondContact O-N 3.4Å; D240-E244 WeakPolarHBondContact O-CG 3.43Å; D240-E244 PolarHBondContact O-N 2.91Å |
| 241 | L | 94.9 | Very high | 95.3 | Very high | 111 Ų | 111 | 114 Ų | 114 | 58% | 0.581 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.9 | -37 | 178.7 | -149.6 | 75.3 | 0 | 0 | 0 | 113.1 | E237 L238 K239 W243 E244 H245 | E237-L241 WeakPolarHBondContact O-CB 3.4Å; E237-L241 PolarHBondContact O-N 3.09Å; L238-L241 PolarHBondContact O-N 3.43Å; K239-L241 VanDerWaalsContact C-N 3.34Å; L241-W243 VanDerWaalsContact C-N 3.33Å; L241-E244 PolarHBondContact O-N 3.46Å; L241-H245 WeakPolarHBondContact O-CB 3.39Å; L241-H245 PolarHBondContact O-N 3.28Å |
| 242 | Q | 95 | Very high | 95.3 | Very high | 115 Ų | 115 | 115.8 Ų | 115.8 | 54% | 0.537 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 173.8 | -79.6 | 174.2 | -18.7 | 0 | 0 | 111.6 | L238 K239 D240 H245 E246 | L238-Q242 WeakPolarHBondContact O-CB 3.29Å; L238-Q242 VanDerWaalsContact O-CG 3.24Å; L238-Q242 WeakPolarHBondContact O-CG 3.49Å; L238-Q242 PolarHBondContact O-N 3.1Å; K239-Q242 PolarHBondContact O-N 3.06Å; D240-Q242 PolarHBondContact O-N 3.36Å; Q242-H245 PolarHBondContact O-N 3.18Å; Q242-E246 PolarHBondContact O-N 3.46Å; Q242-E246 VanDerWaalsContact O-N 3.1Å |
| 243 | W | 96.8 | Very high | 95.4 | Very high | 177 Ų | 177 | 111.6 Ų | 111.6 | 67% | 0.67 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.5 | -44.4 | 176.6 | -177.4 | 83.8 | 0 | 0 | 0 | 111.8 | K239 D240 L241 H245 E246 V247 | K239-W243 PolarHBondContact O-N 3.08Å; D240-W243 PolarHBondContact O-N 3.4Å; L241-W243 VanDerWaalsContact C-N 3.33Å; W243-H245 VanDerWaalsContact C-N 3.29Å; W243-H245 PolarHBondContact O-N 2.87Å; W243-E246 PolarHBondContact O-N 3.43Å; W243-V247 HydrophobicContact CD2-CG2 4.11Å; W243-V247 HydrophobicContact CE3-CG2 4.28Å; W243-V247 HydrophobicContact CH2-CG2 4.01Å; W243-V247 HydrophobicContact CZ2-CG2 3.8Å; W243-V247 HydrophobicContact CZ3-CG2 4.23Å; W243-V247 WeakPolarHBondContact O-CG2 3.39Å; W243-V247 PolarHBondContact O-N 2.77Å; W243-V247 VanDerWaalsContact O-N 3.08Å |
| 244 | E | 94.9 | Very high | 95.4 | Very high | 113 Ų | 113 | 113.9 Ų | 113.9 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 175.2 | -73 | -179.4 | -177.9 | 0 | 0 | 111.9 | D240 L241 V247 L248 | D240-E244 WeakPolarHBondContact O-CG 3.43Å; D240-E244 PolarHBondContact O-N 2.91Å; L241-E244 PolarHBondContact O-N 3.46Å; E244-V247 PolarHBondContact O-N 2.97Å; E244-L248 WeakPolarHBondContact O-CB 3.39Å; E244-L248 PolarHBondContact O-N 3.49Å |
| 245 | H | 94.3 | Very high | 95.5 | Very high | 110 Ų | 110 | 110.6 Ų | 110.6 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -49.9 | 177.6 | -179.6 | 58.6 | 0 | 0 | 0 | 112 | L241 Q242 W243 V247 L248 E249 | L241-H245 WeakPolarHBondContact O-CB 3.39Å; L241-H245 PolarHBondContact O-N 3.28Å; Q242-H245 PolarHBondContact O-N 3.18Å; W243-H245 VanDerWaalsContact C-N 3.29Å; W243-H245 PolarHBondContact O-N 2.87Å; H245-V247 VanDerWaalsContact C-N 3.32Å; H245-V247 PolarHBondContact O-N 3.5Å; H245-L248 WeakPolarHBondContact O-CB 3.38Å; H245-L248 PolarHBondContact O-N 3.25Å; H245-L248 VanDerWaalsContact O-N 3.07Å; H245-E249 IonicContact CE1-OE1 3.49Å; H245-E249 PolarHBondContact CE1-OE1 2.88Å; H245-E249 IonicContact NE2-OE1 2.78Å; H245-E249 PolarHBondContact NE2-OE1 2.94Å; H245-E249 PolarHBondContact O-N 2.93Å |
| 246 | E | 96.7 | Very high | 95.5 | Very high | 98 Ų | 98 | 109.5 Ų | 109.5 | 46% | 0.458 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.9 | -44 | 177.6 | -178.8 | 65.1 | -144 | 0 | 0 | 111.7 | Q242 W243 L248 E249 Q250 | Q242-E246 PolarHBondContact O-N 3.46Å; Q242-E246 VanDerWaalsContact O-N 3.1Å; W243-E246 PolarHBondContact O-N 3.43Å; E246-L248 VanDerWaalsContact C-N 3.31Å; E246-L248 PolarHBondContact O-N 2.9Å; E246-E249 PolarHBondContact O-N 3.31Å; E246-Q250 WeakPolarHBondContact O-CG 3.4Å; E246-Q250 PolarHBondContact O-N 3.5Å; E246-Q250 VanDerWaalsContact O-N 3.09Å; E246-Q250 PolarHBondContact OE1-NE2 3.49Å |
| 247 | V | 96.2 | Very high | 95.5 | Very high | 36 Ų | 36 | 108.9 Ų | 108.9 | 22% | 0.218 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 176.1 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | W243 E244 H245 R251 | W243-V247 HydrophobicContact CD2-CG2 4.11Å; W243-V247 HydrophobicContact CE3-CG2 4.28Å; W243-V247 HydrophobicContact CH2-CG2 4.01Å; W243-V247 HydrophobicContact CZ2-CG2 3.8Å; W243-V247 HydrophobicContact CZ3-CG2 4.23Å; W243-V247 WeakPolarHBondContact O-CG2 3.39Å; W243-V247 PolarHBondContact O-N 2.77Å; W243-V247 VanDerWaalsContact O-N 3.08Å; E244-V247 PolarHBondContact O-N 2.97Å; H245-V247 VanDerWaalsContact C-N 3.32Å; H245-V247 PolarHBondContact O-N 3.5Å; V247-R251 WeakPolarHBondContact O-CG 3.28Å; V247-R251 PolarHBondContact O-N 2.92Å; V247-R251 VanDerWaalsContact O-N 3.11Å |
| 248 | L | 94.9 | Very high | 95.6 | Very high | 115 Ų | 115 | 109.5 Ų | 109.5 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.3 | -41 | 179 | -131.1 | 73.2 | 0 | 0 | 0 | 112 | E244 H245 E246 R251 F252 | E244-L248 WeakPolarHBondContact O-CB 3.39Å; E244-L248 PolarHBondContact O-N 3.49Å; H245-L248 WeakPolarHBondContact O-CB 3.38Å; H245-L248 PolarHBondContact O-N 3.25Å; H245-L248 VanDerWaalsContact O-N 3.07Å; E246-L248 VanDerWaalsContact C-N 3.31Å; E246-L248 PolarHBondContact O-N 2.9Å; L248-R251 PolarHBondContact O-N 3.42Å; L248-F252 WeakPolarHBondContact O-CB 3.27Å; L248-F252 PolarHBondContact O-N 3.14Å |
| 249 | E | 96.3 | Very high | 95.6 | Very high | 95 Ų | 95 | 111.6 Ų | 111.6 | 44% | 0.444 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 177 | -75 | -160.3 | 149.1 | 0 | 0 | 112 | H245 E246 F252 T253 | H245-E249 IonicContact CE1-OE1 3.49Å; H245-E249 PolarHBondContact CE1-OE1 2.88Å; H245-E249 IonicContact NE2-OE1 2.78Å; H245-E249 PolarHBondContact NE2-OE1 2.94Å; H245-E249 PolarHBondContact O-N 2.93Å; E246-E249 PolarHBondContact O-N 3.31Å; E249-F252 PolarHBondContact O-N 2.9Å; E249-T253 WeakPolarHBondContact O-CB 3.33Å; E249-T253 PolarHBondContact O-N 3.17Å; E249-T253 PolarHBondContact O-OG1 3.38Å |
| 250 | Q | 95.5 | Very high | 95.6 | Very high | 120 Ų | 120 | 107.4 Ų | 107.4 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.9 | -43.8 | 175.5 | -69.4 | 177.3 | 17.2 | 0 | 0 | 111.6 | E246 T253 K254 | E246-Q250 WeakPolarHBondContact O-CG 3.4Å; E246-Q250 PolarHBondContact O-N 3.5Å; E246-Q250 VanDerWaalsContact O-N 3.09Å; E246-Q250 PolarHBondContact OE1-NE2 3.49Å; Q250-T253 PolarHBondContact O-N 3.01Å; Q250-K254 PolarHBondContact O-N 3.25Å; Q250-K254 VanDerWaalsContact O-N 3.13Å |
| 251 | R | 94.9 | Very high | 95.7 | Very high | 170 Ų | 170 | 108.4 Ų | 108.4 | 64% | 0.642 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.3 | -43.6 | 175 | -75.1 | 178.9 | 179.8 | -157.9 | 1.3 | 111.9 | V247 L248 T253 K254 V255 | V247-R251 WeakPolarHBondContact O-CG 3.28Å; V247-R251 PolarHBondContact O-N 2.92Å; V247-R251 VanDerWaalsContact O-N 3.11Å; L248-R251 PolarHBondContact O-N 3.42Å; R251-T253 VanDerWaalsContact C-N 3.35Å; R251-T253 PolarHBondContact O-N 2.91Å; R251-K254 PolarHBondContact O-N 2.99Å; R251-V255 WeakPolarHBondContact O-CG2 3.39Å; R251-V255 PolarHBondContact O-N 3.31Å |
| 252 | F | 94.5 | Very high | 95.7 | Very high | 134 Ų | 134 | 109 Ų | 109 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61 | -45.5 | 179 | 178.4 | -97.8 | 0 | 0 | 0 | 111.3 | L248 E249 K254 V255 Q256 | L248-F252 WeakPolarHBondContact O-CB 3.27Å; L248-F252 PolarHBondContact O-N 3.14Å; E249-F252 PolarHBondContact O-N 2.9Å; F252-K254 VanDerWaalsContact C-N 3.31Å; F252-K254 PolarHBondContact O-N 3.45Å; F252-V255 PolarHBondContact O-N 2.88Å; F252-Q256 VanDerWaalsContact CE1-OE1 3.23Å; F252-Q256 WeakPolarHBondContact O-CB 3.42Å; F252-Q256 PolarHBondContact O-N 3.37Å |
| 253 | T | 96.9 | Very high | 95.7 | Very high | 69 Ų | 69 | 111.4 Ų | 111.4 | 42% | 0.423 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 178.3 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | E249 Q250 R251 Q256 Q257 | E249-T253 WeakPolarHBondContact O-CB 3.33Å; E249-T253 PolarHBondContact O-N 3.17Å; E249-T253 PolarHBondContact O-OG1 3.38Å; Q250-T253 PolarHBondContact O-N 3.01Å; R251-T253 VanDerWaalsContact C-N 3.35Å; R251-T253 PolarHBondContact O-N 2.91Å; T253-Q256 PolarHBondContact O-N 3.08Å; T253-Q257 WeakPolarHBondContact O-CG 3.39Å; T253-Q257 PolarHBondContact O-N 3.17Å |
| 254 | K | 95.8 | Very high | 95.7 | Very high | 129 Ų | 129 | 111.7 Ų | 111.7 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.7 | -47.7 | 176 | -172.3 | 177.6 | 179 | -177.1 | 0 | 112.2 | Q250 R251 F252 Q256 Q257 E258 | Q250-K254 PolarHBondContact O-N 3.25Å; Q250-K254 VanDerWaalsContact O-N 3.13Å; R251-K254 PolarHBondContact O-N 2.99Å; F252-K254 VanDerWaalsContact C-N 3.31Å; F252-K254 PolarHBondContact O-N 3.45Å; K254-Q256 VanDerWaalsContact C-N 3.28Å; K254-Q256 PolarHBondContact O-N 2.88Å; K254-Q257 WeakPolarHBondContact O-CB 3.32Å; K254-Q257 PolarHBondContact O-N 3.47Å; K254-E258 VanDerWaalsContact CE-OE1 3.26Å; K254-E258 WeakPolarHBondContact CE-OE1 3.35Å; K254-E258 WeakPolarHBondContact O-CG 3.48Å; K254-E258 PolarHBondContact O-N 2.98Å |
| 255 | V | 96.1 | Very high | 95.7 | Very high | 89 Ų | 89 | 112 Ų | 112 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 178.2 | 172 | 0 | 0 | 0 | 0 | 111.3 | R251 F252 E258 R259 | R251-V255 WeakPolarHBondContact O-CG2 3.39Å; R251-V255 PolarHBondContact O-N 3.31Å; F252-V255 PolarHBondContact O-N 2.88Å; V255-E258 PolarHBondContact O-N 3.48Å; V255-R259 WeakPolarHBondContact O-CB 3.35Å; V255-R259 PolarHBondContact O-N 3.37Å |
| 256 | Q | 95.6 | Very high | 95.6 | Very high | 77 Ų | 77 | 112.8 Ų | 112.8 | 36% | 0.36 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 176.1 | -171.8 | 174.2 | -15 | 0 | 0 | 111.8 | F252 T253 K254 R259 D260 | F252-Q256 VanDerWaalsContact CE1-OE1 3.23Å; F252-Q256 WeakPolarHBondContact O-CB 3.42Å; F252-Q256 PolarHBondContact O-N 3.37Å; T253-Q256 PolarHBondContact O-N 3.08Å; K254-Q256 VanDerWaalsContact C-N 3.28Å; K254-Q256 PolarHBondContact O-N 2.88Å; Q256-R259 PolarHBondContact O-N 2.97Å; Q256-D260 WeakPolarHBondContact O-CB 3.44Å; Q256-D260 PolarHBondContact O-N 2.89Å |
| 257 | Q | 96.6 | Very high | 95.5 | Very high | 124 Ų | 124 | 110.5 Ų | 110.5 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.8 | -45 | 174.6 | -70.9 | 171.9 | 1.7 | 0 | 0 | 112 | T253 K254 R259 D260 E261 | T253-Q257 WeakPolarHBondContact O-CG 3.39Å; T253-Q257 PolarHBondContact O-N 3.17Å; K254-Q257 WeakPolarHBondContact O-CB 3.32Å; K254-Q257 PolarHBondContact O-N 3.47Å; Q257-R259 VanDerWaalsContact C-N 3.35Å; Q257-R259 PolarHBondContact O-N 3.49Å; Q257-D260 PolarHBondContact O-N 3.48Å; Q257-E261 WeakPolarHBondContact O-CB 3.39Å; Q257-E261 PolarHBondContact O-N 3.39Å |
| 258 | E | 95.4 | Very high | 95.5 | Very high | 100 Ų | 100 | 111.4 Ų | 111.4 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 177.5 | -72.2 | 173.4 | -174.3 | 0 | 0 | 111.7 | K254 V255 E261 L262 | K254-E258 VanDerWaalsContact CE-OE1 3.26Å; K254-E258 WeakPolarHBondContact CE-OE1 3.35Å; K254-E258 WeakPolarHBondContact O-CG 3.48Å; K254-E258 PolarHBondContact O-N 2.98Å; V255-E258 PolarHBondContact O-N 3.48Å; E258-E261 PolarHBondContact O-N 3.34Å; E258-L262 WeakPolarHBondContact O-CB 3.36Å; E258-L262 PolarHBondContact O-N 2.93Å |
| 259 | R | 96.1 | Very high | 95.4 | Very high | 143 Ų | 143 | 108.2 Ų | 108.2 | 54% | 0.54 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -49 | 173.9 | 179.5 | -154.6 | 67.3 | -169.6 | -2 | 111.4 | V255 Q256 Q257 E261 L262 Y263 | V255-R259 WeakPolarHBondContact O-CB 3.35Å; V255-R259 PolarHBondContact O-N 3.37Å; Q256-R259 PolarHBondContact O-N 2.97Å; Q257-R259 VanDerWaalsContact C-N 3.35Å; Q257-R259 PolarHBondContact O-N 3.49Å; R259-E261 VanDerWaalsContact C-N 3.32Å; R259-E261 PolarHBondContact O-N 3.45Å; R259-L262 PolarHBondContact O-N 2.89Å; R259-Y263 WeakPolarHBondContact O-CB 3.26Å; R259-Y263 PolarHBondContact O-N 3.3Å |
| 260 | D | 95.9 | Very high | 95.3 | Very high | 53 Ų | 53 | 106.8 Ų | 106.8 | 28% | 0.283 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | -176.9 | -70 | -11.8 | 0 | 0 | 0 | 111.5 | Q256 Q257 Y263 R264 | Q256-D260 WeakPolarHBondContact O-CB 3.44Å; Q256-D260 PolarHBondContact O-N 2.89Å; Q257-D260 PolarHBondContact O-N 3.48Å; D260-Y263 PolarHBondContact O-N 3Å; D260-R264 WeakPolarHBondContact O-CG 3.41Å; D260-R264 PolarHBondContact O-N 3.14Å; D260-R264 VanDerWaalsContact O-N 3.07Å |
| 261 | E | 96.3 | Very high | 95.3 | Very high | 98 Ų | 98 | 106.9 Ų | 106.9 | 46% | 0.458 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 173.6 | -170.3 | -179.4 | 168.5 | 0 | 0 | 111.8 | Q257 E258 R259 Y263 R264 K265 | Q257-E261 WeakPolarHBondContact O-CB 3.39Å; Q257-E261 PolarHBondContact O-N 3.39Å; E258-E261 PolarHBondContact O-N 3.34Å; R259-E261 VanDerWaalsContact C-N 3.32Å; R259-E261 PolarHBondContact O-N 3.45Å; E261-Y263 VanDerWaalsContact C-N 3.34Å; E261-Y263 PolarHBondContact O-N 2.9Å; E261-R264 PolarHBondContact O-N 3.37Å; E261-K265 HydrophobicContact CG-CD 4.39Å; E261-K265 WeakPolarHBondContact O-CG 3.45Å; E261-K265 PolarHBondContact O-N 2.92Å; E261-K265 WeakPolarHBondContact OE1-CE 3.45Å; E261-K265 IonicContact OE1-NZ 2.65Å; E261-K265 PolarHBondContact OE1-NZ 3.21Å |
| 262 | L | 95.4 | Very high | 95.3 | Very high | 123 Ų | 123 | 103.3 Ų | 103.3 | 64% | 0.644 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.8 | -41.6 | 178.1 | -172.4 | 64.1 | 0 | 0 | 0 | 111.5 | E258 R259 K265 F266 | E258-L262 WeakPolarHBondContact O-CB 3.36Å; E258-L262 PolarHBondContact O-N 2.93Å; R259-L262 PolarHBondContact O-N 2.89Å; L262-K265 PolarHBondContact O-N 3.48Å; L262-F266 WeakPolarHBondContact O-CB 3.35Å; L262-F266 PolarHBondContact O-N 2.97Å |
| 263 | Y | 94.4 | Very high | 95.3 | Very high | 166 Ų | 166 | 101.2 Ų | 101.2 | 65% | 0.651 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.5 | -41.9 | 177.2 | -164.6 | -92.9 | 0 | 0 | 0 | 112.1 | R259 D260 E261 F266 T267 | R259-Y263 WeakPolarHBondContact O-CB 3.26Å; R259-Y263 PolarHBondContact O-N 3.3Å; D260-Y263 PolarHBondContact O-N 3Å; E261-Y263 VanDerWaalsContact C-N 3.34Å; E261-Y263 PolarHBondContact O-N 2.9Å; Y263-F266 PolarHBondContact O-N 2.83Å; Y263-T267 WeakPolarHBondContact O-CB 3.44Å; Y263-T267 PolarHBondContact O-N 3.25Å; Y263-T267 PolarHBondContact O-OG1 3.41Å |
| 264 | R | 96.1 | Very high | 95 | Very high | 184 Ų | 184 | 103.9 Ų | 103.9 | 69% | 0.694 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.7 | -47.9 | 172.9 | -73.8 | 178.7 | -171.9 | 138.6 | 3 | 111.6 | D260 E261 F266 T267 A268 | D260-R264 WeakPolarHBondContact O-CG 3.41Å; D260-R264 PolarHBondContact O-N 3.14Å; D260-R264 VanDerWaalsContact O-N 3.07Å; E261-R264 PolarHBondContact O-N 3.37Å; R264-F266 PolarHBondContact O-N 3.49Å; R264-T267 PolarHBondContact O-N 3.05Å; R264-A268 WeakPolarHBondContact O-CB 3.39Å; R264-A268 PolarHBondContact O-N 3.5Å |
| 265 | K | 95.8 | Very high | 94.9 | Very high | 120 Ų | 120 | 104.8 Ų | 104.8 | 52% | 0.522 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 178.2 | -74.8 | 177.4 | -177.3 | 167.1 | 0 | 112.2 | E261 L262 A268 A269 | E261-K265 HydrophobicContact CG-CD 4.39Å; E261-K265 WeakPolarHBondContact O-CG 3.45Å; E261-K265 PolarHBondContact O-N 2.92Å; E261-K265 WeakPolarHBondContact OE1-CE 3.45Å; E261-K265 IonicContact OE1-NZ 2.65Å; E261-K265 PolarHBondContact OE1-NZ 3.21Å; L262-K265 PolarHBondContact O-N 3.48Å; K265-A268 PolarHBondContact O-N 3.4Å; K265-A269 WeakPolarHBondContact O-CB 3.3Å; K265-A269 PolarHBondContact O-N 2.91Å |
| 266 | F | 92.8 | Very high | 94.8 | Very high | 126 Ų | 126 | 106.8 Ų | 106.8 | 55% | 0.553 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.9 | -46.6 | 177 | 176.8 | -104.4 | 0 | 0 | 0 | 111.8 | L262 Y263 R264 A268 A269 I270 | L262-F266 WeakPolarHBondContact O-CB 3.35Å; L262-F266 PolarHBondContact O-N 2.97Å; Y263-F266 PolarHBondContact O-N 2.83Å; R264-F266 PolarHBondContact O-N 3.49Å; F266-A268 PolarHBondContact O-N 2.83Å; F266-A269 PolarHBondContact O-N 3.33Å; F266-I270 HydrophobicContact CD1-CD1 3.85Å; F266-I270 HydrophobicContact CE1-CD1 3.26Å; F266-I270 HydrophobicContact CE1-CG1 4.38Å; F266-I270 HydrophobicContact CE2-CD1 4.01Å; F266-I270 HydrophobicContact CE2-CG1 4.47Å; F266-I270 HydrophobicContact CG-CD1 4.45Å; F266-I270 HydrophobicContact CZ-CD1 3.38Å; F266-I270 HydrophobicContact CZ-CG1 4.29Å; F266-I270 WeakPolarHBondContact O-CG1 3.45Å; F266-I270 PolarHBondContact O-N 3.48Å |
| 267 | T | 94.9 | Very high | 94.6 | Very high | 50 Ų | 50 | 106.4 Ų | 106.4 | 31% | 0.307 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 178.6 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | Y263 R264 I270 Q271 | Y263-T267 WeakPolarHBondContact O-CB 3.44Å; Y263-T267 PolarHBondContact O-N 3.25Å; Y263-T267 PolarHBondContact O-OG1 3.41Å; R264-T267 PolarHBondContact O-N 3.05Å; T267-I270 PolarHBondContact O-N 2.94Å; T267-Q271 WeakPolarHBondContact O-CG 3.25Å; T267-Q271 PolarHBondContact O-N 3.44Å |
| 268 | A | 94.8 | Very high | 94.5 | Very high | 54 Ų | 54 | 102.3 Ų | 102.3 | 45% | 0.446 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R264 K265 F266 I270 Q271 E272 | R264-A268 WeakPolarHBondContact O-CB 3.39Å; R264-A268 PolarHBondContact O-N 3.5Å; K265-A268 PolarHBondContact O-N 3.4Å; F266-A268 PolarHBondContact O-N 2.83Å; A268-I270 PolarHBondContact O-N 2.93Å; A268-Q271 PolarHBondContact O-N 2.97Å; A268-E272 WeakPolarHBondContact O-CB 3.47Å; A268-E272 PolarHBondContact O-N 3.38Å |
| 269 | A | 94.4 | Very high | 94.4 | Very high | 49 Ų | 49 | 104.2 Ų | 104.2 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K265 F266 E272 V273 | K265-A269 WeakPolarHBondContact O-CB 3.3Å; K265-A269 PolarHBondContact O-N 2.91Å; F266-A269 PolarHBondContact O-N 3.33Å; A269-E272 PolarHBondContact O-N 3.39Å; A269-V273 WeakPolarHBondContact O-CG2 3.25Å; A269-V273 PolarHBondContact O-N 2.88Å |
| 270 | I | 93.3 | Very high | 94.2 | Very high | 65 Ų | 65 | 103.5 Ų | 103.5 | 33% | 0.333 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 174 | -73.1 | 175.3 | 0 | 0 | 0 | 110.6 | F266 T267 A268 E272 V273 Q274 | F266-I270 HydrophobicContact CD1-CD1 3.85Å; F266-I270 HydrophobicContact CE1-CD1 3.26Å; F266-I270 HydrophobicContact CE1-CG1 4.38Å; F266-I270 HydrophobicContact CE2-CD1 4.01Å; F266-I270 HydrophobicContact CE2-CG1 4.47Å; F266-I270 HydrophobicContact CG-CD1 4.45Å; F266-I270 HydrophobicContact CZ-CD1 3.38Å; F266-I270 HydrophobicContact CZ-CG1 4.29Å; F266-I270 WeakPolarHBondContact O-CG1 3.45Å; F266-I270 PolarHBondContact O-N 3.48Å; T267-I270 PolarHBondContact O-N 2.94Å; A268-I270 PolarHBondContact O-N 2.93Å; I270-E272 VanDerWaalsContact C-N 3.29Å; I270-E272 PolarHBondContact O-N 3.43Å; I270-V273 PolarHBondContact O-N 3.16Å; I270-Q274 HydrophobicContact CG2-CG 4.27Å; I270-Q274 WeakPolarHBondContact O-CB 3.4Å; I270-Q274 WeakPolarHBondContact O-CG 3.31Å; I270-Q274 PolarHBondContact O-N 2.92Å |
| 271 | Q | 94.6 | Very high | 94.1 | Very high | 121 Ų | 121 | 105.8 Ų | 105.8 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.5 | -40.9 | 179.8 | -72 | 174.7 | -8.1 | 0 | 0 | 111.3 | T267 A268 Q274 Q275 | T267-Q271 WeakPolarHBondContact O-CG 3.25Å; T267-Q271 PolarHBondContact O-N 3.44Å; A268-Q271 PolarHBondContact O-N 2.97Å; Q271-Q274 PolarHBondContact O-N 2.93Å; Q271-Q275 VanDerWaalsContact O-CB 3.31Å; Q271-Q275 WeakPolarHBondContact O-CB 3.47Å; Q271-Q275 PolarHBondContact O-N 3.26Å |
| 272 | E | 95.1 | Very high | 94 | Very high | 96 Ų | 96 | 104.9 Ų | 104.9 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 176.2 | -169.3 | -173 | 165.8 | 0 | 0 | 112 | A268 A269 I270 Q275 K276 | A268-E272 WeakPolarHBondContact O-CB 3.47Å; A268-E272 PolarHBondContact O-N 3.38Å; A269-E272 PolarHBondContact O-N 3.39Å; I270-E272 VanDerWaalsContact C-N 3.29Å; I270-E272 PolarHBondContact O-N 3.43Å; E272-Q275 PolarHBondContact O-N 3.11Å; E272-K276 HydrophobicContact CG-CD 4.48Å; E272-K276 WeakPolarHBondContact O-CB 3.39Å; E272-K276 WeakPolarHBondContact O-CG 3.25Å; E272-K276 PolarHBondContact O-N 2.99Å; E272-K276 WeakPolarHBondContact OE1-CE 3.42Å; E272-K276 IonicContact OE1-NZ 3.06Å; E272-K276 PolarHBondContact OE1-NZ 2.91Å |
| 273 | V | 94.8 | Very high | 93.9 | Very high | 90 Ų | 90 | 102.5 Ų | 102.5 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 177.2 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | A269 I270 Q275 K276 T277 | A269-V273 WeakPolarHBondContact O-CG2 3.25Å; A269-V273 PolarHBondContact O-N 2.88Å; I270-V273 PolarHBondContact O-N 3.16Å; V273-Q275 VanDerWaalsContact C-N 3.35Å; V273-K276 PolarHBondContact O-N 3.01Å; V273-T277 WeakPolarHBondContact O-CB 3.31Å; V273-T277 PolarHBondContact O-N 3.35Å; V273-T277 PolarHBondContact O-OG1 3.43Å |
| 274 | Q | 91.3 | Very high | 93.9 | Very high | 124 Ų | 124 | 99 Ų | 99 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.7 | -41.5 | 175.4 | -76 | 179.9 | -15.1 | 0 | 0 | 111.4 | I270 Q271 T277 G278 | I270-Q274 HydrophobicContact CG2-CG 4.27Å; I270-Q274 WeakPolarHBondContact O-CB 3.4Å; I270-Q274 WeakPolarHBondContact O-CG 3.31Å; I270-Q274 PolarHBondContact O-N 2.92Å; Q271-Q274 PolarHBondContact O-N 2.93Å; Q274-T277 WeakPolarHBondContact CA-OG1 3.45Å; Q274-T277 PolarHBondContact O-OG1 3.29Å; Q274-G278 WeakPolarHBondContact O-CA 3.38Å; Q274-G278 PolarHBondContact O-N 2.92Å |
| 275 | Q | 93.9 | Very high | 93.7 | Very high | 149 Ų | 149 | 95.5 Ų | 95.5 | 70% | 0.696 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.9 | -44.6 | 176.6 | -170.4 | -178 | 18 | 0 | 0 | 111.5 | Q271 E272 V273 G278 F279 | Q271-Q275 VanDerWaalsContact O-CB 3.31Å; Q271-Q275 WeakPolarHBondContact O-CB 3.47Å; Q271-Q275 PolarHBondContact O-N 3.26Å; E272-Q275 PolarHBondContact O-N 3.11Å; V273-Q275 VanDerWaalsContact C-N 3.35Å; Q275-G278 PolarHBondContact O-N 2.84Å; Q275-F279 WeakPolarHBondContact O-CB 3.12Å; Q275-F279 PolarHBondContact O-N 3.43Å |
| 276 | K | 93.5 | Very high | 93.6 | Very high | 130 Ų | 130 | 97.8 Ų | 97.8 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.7 | -45.2 | 178.1 | -75.5 | -179.8 | -175.5 | 168.9 | 0 | 112.4 | E272 V273 F279 K280 | E272-K276 HydrophobicContact CG-CD 4.48Å; E272-K276 WeakPolarHBondContact O-CB 3.39Å; E272-K276 WeakPolarHBondContact O-CG 3.25Å; E272-K276 PolarHBondContact O-N 2.99Å; E272-K276 WeakPolarHBondContact OE1-CE 3.42Å; E272-K276 IonicContact OE1-NZ 3.06Å; E272-K276 PolarHBondContact OE1-NZ 2.91Å; V273-K276 PolarHBondContact O-N 3.01Å; K276-F279 PolarHBondContact O-N 2.9Å; K276-K280 PolarHBondContact O-N 3.28Å |
| 277 | T | 91.8 | Very high | 93.7 | Very high | 69 Ų | 69 | 98.2 Ų | 98.2 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 176.3 | 43.1 | 0 | 0 | 0 | 0 | 111.5 | V273 Q274 F279 K280 N281 | V273-T277 WeakPolarHBondContact O-CB 3.31Å; V273-T277 PolarHBondContact O-N 3.35Å; V273-T277 PolarHBondContact O-OG1 3.43Å; Q274-T277 WeakPolarHBondContact CA-OG1 3.45Å; Q274-T277 PolarHBondContact O-OG1 3.29Å; T277-F279 VanDerWaalsContact C-N 3.35Å; T277-F279 PolarHBondContact O-N 3.37Å; T277-K280 PolarHBondContact O-N 3.22Å; T277-N281 WeakPolarHBondContact O-CB 3.32Å; T277-N281 VanDerWaalsContact O-CG 3.26Å; T277-N281 PolarHBondContact O-N 3.23Å |
| 278 | G | 93 | Very high | 93.6 | Very high | 38 Ų | 38 | 101.6 Ų | 101.6 | 39% | 0.392 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.9 | -45.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q274 Q275 N281 L282 | Q274-G278 WeakPolarHBondContact O-CA 3.38Å; Q274-G278 PolarHBondContact O-N 2.92Å; Q275-G278 PolarHBondContact O-N 2.84Å; G278-N281 PolarHBondContact O-N 3.43Å; G278-L282 WeakPolarHBondContact O-CB 3.33Å; G278-L282 PolarHBondContact O-N 2.78Å |
| 279 | F | 93.6 | Very high | 93.6 | Very high | 141 Ų | 141 | 104.4 Ų | 104.4 | 62% | 0.618 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.5 | -43.7 | 175 | -172.3 | -97 | 0 | 0 | 0 | 112.3 | Q275 K276 T277 N281 L282 V283 | Q275-F279 WeakPolarHBondContact O-CB 3.12Å; Q275-F279 PolarHBondContact O-N 3.43Å; K276-F279 PolarHBondContact O-N 2.9Å; T277-F279 VanDerWaalsContact C-N 3.35Å; T277-F279 PolarHBondContact O-N 3.37Å; F279-N281 VanDerWaalsContact C-N 3.33Å; F279-N281 PolarHBondContact O-N 2.88Å; F279-L282 PolarHBondContact O-N 2.95Å; F279-V283 HydrophobicContact CD1-CG2 4.1Å; F279-V283 HydrophobicContact CE1-CG2 3.75Å; F279-V283 HydrophobicContact CZ-CG2 4.06Å; F279-V283 WeakPolarHBondContact O-CG2 3.25Å; F279-V283 PolarHBondContact O-N 3.36Å |
| 280 | K | 93.4 | Very high | 93.6 | Very high | 127 Ų | 127 | 105.1 Ų | 105.1 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.7 | -43.8 | 176 | -171.6 | 178.2 | -179.7 | -177.5 | 0 | 111.4 | K276 T277 V283 L284 | K276-K280 PolarHBondContact O-N 3.28Å; T277-K280 PolarHBondContact O-N 3.22Å; K280-V283 PolarHBondContact O-N 2.94Å; K280-L284 HydrophobicContact CG-CD1 4.32Å; K280-L284 WeakPolarHBondContact O-CG 3.47Å; K280-L284 PolarHBondContact O-N 3.42Å |
| 281 | N | 92.4 | Very high | 93.6 | Very high | 102 Ų | 102 | 106.9 Ų | 106.9 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 177.1 | -72 | -9.8 | 0 | 0 | 0 | 111.4 | T277 G278 F279 V283 L284 E285 | T277-N281 WeakPolarHBondContact O-CB 3.32Å; T277-N281 VanDerWaalsContact O-CG 3.26Å; T277-N281 PolarHBondContact O-N 3.23Å; G278-N281 PolarHBondContact O-N 3.43Å; F279-N281 VanDerWaalsContact C-N 3.33Å; F279-N281 PolarHBondContact O-N 2.88Å; N281-V283 VanDerWaalsContact C-N 3.31Å; N281-V283 PolarHBondContact O-N 3.27Å; N281-L284 PolarHBondContact O-N 3.49Å; N281-E285 WeakPolarHBondContact O-CB 3.39Å; N281-E285 PolarHBondContact O-N 2.93Å |
| 282 | L | 94.7 | Very high | 93.6 | Very high | 78 Ų | 78 | 103.7 Ų | 103.7 | 41% | 0.408 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60 | -40.8 | 176.7 | -175.9 | 67.3 | 0 | 0 | 0 | 112.1 | G278 F279 R286 | G278-L282 WeakPolarHBondContact O-CB 3.33Å; G278-L282 PolarHBondContact O-N 2.78Å; F279-L282 PolarHBondContact O-N 2.95Å; L282-R286 WeakPolarHBondContact O-CG 3.42Å; L282-R286 PolarHBondContact O-N 3.4Å |
| 283 | V | 94.3 | Very high | 93.5 | Very high | 74 Ų | 74 | 101.7 Ų | 101.7 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 175.8 | 172 | 0 | 0 | 0 | 0 | 111.3 | F279 K280 N281 R286 K287 | F279-V283 HydrophobicContact CD1-CG2 4.1Å; F279-V283 HydrophobicContact CE1-CG2 3.75Å; F279-V283 HydrophobicContact CZ-CG2 4.06Å; F279-V283 WeakPolarHBondContact O-CG2 3.25Å; F279-V283 PolarHBondContact O-N 3.36Å; K280-V283 PolarHBondContact O-N 2.94Å; N281-V283 VanDerWaalsContact C-N 3.31Å; N281-V283 PolarHBondContact O-N 3.27Å; V283-R286 PolarHBondContact O-N 3.02Å; V283-K287 WeakPolarHBondContact O-CB 3.45Å; V283-K287 PolarHBondContact O-N 3.07Å |
| 284 | L | 92.9 | Very high | 93.5 | Very high | 92 Ų | 92 | 99.9 Ų | 99.9 | 48% | 0.482 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 176.8 | -73.4 | 172.2 | 0 | 0 | 0 | 111.8 | K280 N281 K287 L288 | K280-L284 HydrophobicContact CG-CD1 4.32Å; K280-L284 WeakPolarHBondContact O-CG 3.47Å; K280-L284 PolarHBondContact O-N 3.42Å; N281-L284 PolarHBondContact O-N 3.49Å; L284-K287 PolarHBondContact O-N 3.39Å; L284-L288 WeakPolarHBondContact O-CB 3.47Å; L284-L288 PolarHBondContact O-N 3.25Å |
| 285 | E | 93.1 | Very high | 93.6 | Very high | 111 Ų | 111 | 97.7 Ų | 97.7 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 176.9 | -171 | 176.2 | -169.6 | 0 | 0 | 111 | N281 K287 L288 Q289 | N281-E285 WeakPolarHBondContact O-CB 3.39Å; N281-E285 PolarHBondContact O-N 2.93Å; E285-K287 VanDerWaalsContact C-N 3.35Å; E285-K287 PolarHBondContact O-N 2.91Å; E285-L288 PolarHBondContact O-N 2.89Å; E285-Q289 WeakPolarHBondContact O-CB 3.42Å; E285-Q289 WeakPolarHBondContact O-CG 3.32Å; E285-Q289 PolarHBondContact O-N 3.42Å |
| 286 | R | 94 | Very high | 93.5 | Very high | 167 Ų | 167 | 96 Ų | 96 | 63% | 0.63 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -40.4 | 172.9 | -76.2 | -173.6 | 176.3 | 173.4 | 0.6 | 112.7 | L282 V283 L288 A290 | L282-R286 WeakPolarHBondContact O-CG 3.42Å; L282-R286 PolarHBondContact O-N 3.4Å; V283-R286 PolarHBondContact O-N 3.02Å; R286-L288 VanDerWaalsContact C-N 3.34Å; R286-A290 WeakPolarHBondContact O-CB 3.36Å; R286-A290 PolarHBondContact O-N 3.33Å |
| 287 | K | 94.4 | Very high | 93.5 | Very high | 135 Ų | 135 | 96.2 Ų | 96.2 | 59% | 0.587 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 176.4 | -172.5 | 177.4 | 180 | -178.2 | 0 | 111.2 | V283 L284 E285 A290 L291 | V283-K287 WeakPolarHBondContact O-CB 3.45Å; V283-K287 PolarHBondContact O-N 3.07Å; L284-K287 PolarHBondContact O-N 3.39Å; E285-K287 VanDerWaalsContact C-N 3.35Å; E285-K287 PolarHBondContact O-N 2.91Å; K287-A290 PolarHBondContact O-N 3.35Å; K287-L291 HydrophobicContact CG-CD1 4.21Å; K287-L291 WeakPolarHBondContact O-CB 3.37Å; K287-L291 VanDerWaalsContact O-CG 3.31Å; K287-L291 WeakPolarHBondContact O-CG 3.44Å; K287-L291 PolarHBondContact O-N 3.38Å |
| 288 | L | 92.8 | Very high | 93.5 | Very high | 122 Ų | 122 | 99.5 Ų | 99.5 | 64% | 0.639 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.5 | -44.7 | 177.9 | -168 | 147.7 | 0 | 0 | 0 | 111 | L284 E285 R286 A290 L291 S292 | L284-L288 WeakPolarHBondContact O-CB 3.47Å; L284-L288 PolarHBondContact O-N 3.25Å; E285-L288 PolarHBondContact O-N 2.89Å; R286-L288 VanDerWaalsContact C-N 3.34Å; L288-A290 PolarHBondContact O-N 2.97Å; L288-L291 PolarHBondContact O-N 2.92Å; L288-S292 WeakPolarHBondContact O-CB 3.42Å; L288-S292 PolarHBondContact O-N 2.86Å |
| 289 | Q | 93.7 | Very high | 93.3 | Very high | 113 Ų | 113 | 103 Ų | 103 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 173 | -74 | 173.6 | -1 | 0 | 0 | 111.7 | E285 L291 S292 A293 | E285-Q289 WeakPolarHBondContact O-CB 3.42Å; E285-Q289 WeakPolarHBondContact O-CG 3.32Å; E285-Q289 PolarHBondContact O-N 3.42Å; Q289-L291 PolarHBondContact O-N 2.78Å; Q289-S292 PolarHBondContact O-N 3.42Å; Q289-A293 WeakPolarHBondContact O-CB 3.3Å; Q289-A293 PolarHBondContact O-N 2.87Å |
| 290 | A | 95 | Very high | 93.2 | Very high | 63 Ų | 63 | 100.2 Ų | 100.2 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R286 K287 L288 A294 | R286-A290 WeakPolarHBondContact O-CB 3.36Å; R286-A290 PolarHBondContact O-N 3.33Å; K287-A290 PolarHBondContact O-N 3.35Å; L288-A290 PolarHBondContact O-N 2.97Å; A290-A294 WeakPolarHBondContact O-CB 3.48Å; A290-A294 PolarHBondContact O-N 2.93Å |
| 291 | L | 93.9 | Very high | 93 | Very high | 102 Ų | 102 | 97.8 Ų | 97.8 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 175.4 | -74 | 172.5 | 0 | 0 | 0 | 111.8 | K287 L288 Q289 A294 V295 | K287-L291 HydrophobicContact CG-CD1 4.21Å; K287-L291 WeakPolarHBondContact O-CB 3.37Å; K287-L291 VanDerWaalsContact O-CG 3.31Å; K287-L291 WeakPolarHBondContact O-CG 3.44Å; K287-L291 PolarHBondContact O-N 3.38Å; L288-L291 PolarHBondContact O-N 2.92Å; Q289-L291 PolarHBondContact O-N 2.78Å; L291-A294 WeakPolarHBondContact O-CB 3.31Å; L291-A294 PolarHBondContact O-N 3.28Å; L291-V295 WeakPolarHBondContact O-CG2 3.37Å; L291-V295 PolarHBondContact O-N 3.32Å |
| 292 | S | 93 | Very high | 92.6 | Very high | 54 Ų | 54 | 98.1 Ų | 98.1 | 38% | 0.378 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 175.6 | -163.9 | 0 | 0 | 0 | 0 | 110.9 | L288 Q289 A294 V295 E296 | L288-S292 WeakPolarHBondContact O-CB 3.42Å; L288-S292 PolarHBondContact O-N 2.86Å; Q289-S292 PolarHBondContact O-N 3.42Å; S292-A294 VanDerWaalsContact C-N 3.25Å; S292-A294 PolarHBondContact O-N 3.31Å; S292-V295 PolarHBondContact O-N 3.46Å; S292-V295 VanDerWaalsContact O-N 3.11Å; S292-E296 WeakPolarHBondContact O-CG 3.35Å; S292-E296 PolarHBondContact O-N 2.89Å; S292-E296 PolarHBondContact OG-OE1 2.97Å |
| 293 | A | 94.2 | Very high | 92.1 | Very high | 55 Ų | 55 | 98.9 Ų | 98.9 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -35.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q289 K297 | Q289-A293 WeakPolarHBondContact O-CB 3.3Å; Q289-A293 PolarHBondContact O-N 2.87Å; A293-K297 WeakPolarHBondContact O-CB 3.5Å; A293-K297 PolarHBondContact O-N 3.25Å |
| 294 | A | 94.9 | Very high | 91.7 | Very high | 51 Ų | 51 | 101.4 Ų | 101.4 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.4 | -40.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A290 L291 S292 K298 | A290-A294 WeakPolarHBondContact O-CB 3.48Å; A290-A294 PolarHBondContact O-N 2.93Å; L291-A294 WeakPolarHBondContact O-CB 3.31Å; L291-A294 PolarHBondContact O-N 3.28Å; S292-A294 VanDerWaalsContact C-N 3.25Å; S292-A294 PolarHBondContact O-N 3.31Å; A294-K298 WeakPolarHBondContact O-CB 3.4Å; A294-K298 VanDerWaalsContact O-CG 3.29Å; A294-K298 WeakPolarHBondContact O-CG 3.39Å; A294-K298 PolarHBondContact O-N 2.95Å |
| 295 | V | 92.6 | Very high | 91.3 | Very high | 79 Ų | 79 | 101.3 Ų | 101.3 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -51.4 | 174.7 | 169.8 | 0 | 0 | 0 | 0 | 110.3 | L291 S292 K297 K298 E299 | L291-V295 WeakPolarHBondContact O-CG2 3.37Å; L291-V295 PolarHBondContact O-N 3.32Å; S292-V295 PolarHBondContact O-N 3.46Å; S292-V295 VanDerWaalsContact O-N 3.11Å; V295-K297 VanDerWaalsContact C-N 3.28Å; V295-K297 PolarHBondContact O-N 3.31Å; V295-K298 CarbonylContact O-C 3.6Å; V295-K298 WeakPolarHBondContact O-CA 3.41Å; V295-K298 WeakPolarHBondContact O-CB 3.37Å; V295-K298 PolarHBondContact O-N 3.48Å; V295-E299 HydrophobicContact CG1-CG 4.33Å; V295-E299 PolarHBondContact O-N 2.79Å |
| 296 | E | 92.5 | Very high | 90.6 | Very high | 112 Ų | 112 | 98.1 Ų | 98.1 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -54.6 | -45.4 | 177.2 | -74.1 | 169.2 | -158.1 | 0 | 0 | 111.3 | S292 K298 E299 V300 | S292-E296 WeakPolarHBondContact O-CG 3.35Å; S292-E296 PolarHBondContact O-N 2.89Å; S292-E296 PolarHBondContact OG-OE1 2.97Å; E296-K298 VanDerWaalsContact C-N 3.32Å; E296-K298 PolarHBondContact O-N 2.94Å; E296-E299 PolarHBondContact O-N 2.99Å; E296-V300 WeakPolarHBondContact O-CG2 3.35Å; E296-V300 PolarHBondContact O-N 2.95Å |
| 297 | K | 93.4 | Very high | 90 | Very high | 135 Ų | 135 | 93.5 Ų | 93.5 | 59% | 0.587 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.2 | -40.6 | 175.4 | -175.7 | 176.7 | -179.5 | 176.7 | 0 | 112.1 | A293 V295 Q301 | A293-K297 WeakPolarHBondContact O-CB 3.5Å; A293-K297 PolarHBondContact O-N 3.25Å; V295-K297 VanDerWaalsContact C-N 3.28Å; V295-K297 PolarHBondContact O-N 3.31Å; K297-Q301 WeakPolarHBondContact O-CB 3.44Å; K297-Q301 VanDerWaalsContact O-CG 3.28Å; K297-Q301 WeakPolarHBondContact O-CG 3.38Å; K297-Q301 PolarHBondContact O-N 3.37Å |
| 298 | K | 92.5 | Very high | 89.4 | Confident | 139 Ų | 139 | 91 Ų | 91 | 60% | 0.604 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.8 | -37.6 | 178.5 | -75.5 | -69.9 | 175.3 | -164.5 | 0 | 112.3 | A294 V295 E296 Q301 F302 | A294-K298 WeakPolarHBondContact O-CB 3.4Å; A294-K298 VanDerWaalsContact O-CG 3.29Å; A294-K298 WeakPolarHBondContact O-CG 3.39Å; A294-K298 PolarHBondContact O-N 2.95Å; V295-K298 CarbonylContact O-C 3.6Å; V295-K298 WeakPolarHBondContact O-CA 3.41Å; V295-K298 WeakPolarHBondContact O-CB 3.37Å; V295-K298 PolarHBondContact O-N 3.48Å; E296-K298 VanDerWaalsContact C-N 3.32Å; E296-K298 PolarHBondContact O-N 2.94Å; K298-Q301 PolarHBondContact O-N 3.33Å; K298-F302 VanDerWaalsContact O-CB 3.24Å; K298-F302 WeakPolarHBondContact O-CB 3.5Å; K298-F302 PolarHBondContact O-N 2.91Å |
| 299 | E | 87.9 | Confident | 88.7 | Confident | 112 Ų | 112 | 88 Ų | 88 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 173.6 | -74.7 | -178.2 | 171.6 | 0 | 0 | 111.5 | V295 E296 F302 N303 | V295-E299 HydrophobicContact CG1-CG 4.33Å; V295-E299 PolarHBondContact O-N 2.79Å; E296-E299 PolarHBondContact O-N 2.99Å; E299-F302 PolarHBondContact O-N 3.34Å; E299-N303 WeakPolarHBondContact O-CB 3.42Å; E299-N303 VanDerWaalsContact O-CG 3.22Å; E299-N303 PolarHBondContact O-N 2.66Å; E299-N303 PolarHBondContact O-ND2 3.45Å; E299-N303 VanDerWaalsContact O-ND2 3.15Å |
| 300 | V | 90.6 | Very high | 87.7 | Confident | 82 Ų | 82 | 89.8 Ų | 89.8 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.6 | -50.1 | 175.1 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | E296 F302 N303 E304 | E296-V300 WeakPolarHBondContact O-CG2 3.35Å; E296-V300 PolarHBondContact O-N 2.95Å; V300-F302 VanDerWaalsContact C-N 3.3Å; V300-F302 PolarHBondContact O-N 2.86Å; V300-N303 PolarHBondContact O-N 3.39Å; V300-E304 WeakPolarHBondContact O-CG 3.42Å; V300-E304 PolarHBondContact O-N 3.18Å |
| 301 | Q | 89.9 | Confident | 86.7 | Confident | 76 Ų | 76 | 91.2 Ų | 91.2 | 36% | 0.355 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 177.1 | -74.3 | -178.3 | -19.8 | 0 | 0 | 112.5 | K297 K298 V305 | K297-Q301 WeakPolarHBondContact O-CB 3.44Å; K297-Q301 VanDerWaalsContact O-CG 3.28Å; K297-Q301 WeakPolarHBondContact O-CG 3.38Å; K297-Q301 PolarHBondContact O-N 3.37Å; K298-Q301 PolarHBondContact O-N 3.33Å; Q301-V305 WeakPolarHBondContact O-CG2 3.43Å; Q301-V305 PolarHBondContact O-N 3.46Å; Q301-V305 VanDerWaalsContact O-N 3.16Å |
| 302 | F | 84.9 | Confident | 86 | Confident | 108 Ų | 108 | 91.1 Ų | 91.1 | 47% | 0.474 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -47.4 | 178.2 | -178.7 | -106 | 0 | 0 | 0 | 111.2 | K298 E299 V300 E304 V305 L306 | K298-F302 VanDerWaalsContact O-CB 3.24Å; K298-F302 WeakPolarHBondContact O-CB 3.5Å; K298-F302 PolarHBondContact O-N 2.91Å; E299-F302 PolarHBondContact O-N 3.34Å; V300-F302 VanDerWaalsContact C-N 3.3Å; V300-F302 PolarHBondContact O-N 2.86Å; F302-E304 VanDerWaalsContact C-N 3.33Å; F302-E304 PolarHBondContact O-N 2.88Å; F302-V305 PolarHBondContact O-N 2.91Å; F302-L306 HydrophobicContact CD1-CD1 3.79Å; F302-L306 HydrophobicContact CD1-CG 4.2Å; F302-L306 HydrophobicContact CE1-CD1 3.31Å; F302-L306 HydrophobicContact CE1-CD2 4.45Å; F302-L306 HydrophobicContact CE1-CG 3.93Å; F302-L306 HydrophobicContact CE2-CD2 4.37Å; F302-L306 HydrophobicContact CE2-CG 4.44Å; F302-L306 HydrophobicContact CZ-CD1 3.78Å; F302-L306 HydrophobicContact CZ-CD2 4.08Å; F302-L306 HydrophobicContact CZ-CG 4.05Å; F302-L306 WeakPolarHBondContact O-CG 3.29Å; F302-L306 PolarHBondContact O-N 2.88Å |
| 303 | N | 83.7 | Confident | 85.3 | Confident | 95 Ų | 95 | 93 Ų | 93 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 178.4 | -72.6 | -30.7 | 0 | 0 | 0 | 112.4 | E299 V300 L306 A307 | E299-N303 WeakPolarHBondContact O-CB 3.42Å; E299-N303 VanDerWaalsContact O-CG 3.22Å; E299-N303 PolarHBondContact O-N 2.66Å; E299-N303 PolarHBondContact O-ND2 3.45Å; E299-N303 VanDerWaalsContact O-ND2 3.15Å; V300-N303 PolarHBondContact O-N 3.39Å; N303-L306 PolarHBondContact O-N 3.42Å; N303-A307 WeakPolarHBondContact O-CB 3.36Å; N303-A307 PolarHBondContact O-N 3.46Å |
| 304 | E | 85.4 | Confident | 84.6 | Confident | 126 Ų | 126 | 93.5 Ų | 93.5 | 59% | 0.589 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.1 | -46.8 | 173.7 | -74.5 | 174.4 | 173.5 | 0 | 0 | 112.1 | V300 F302 L306 A307 A308 | V300-E304 WeakPolarHBondContact O-CG 3.42Å; V300-E304 PolarHBondContact O-N 3.18Å; F302-E304 VanDerWaalsContact C-N 3.33Å; F302-E304 PolarHBondContact O-N 2.88Å; E304-L306 PolarHBondContact O-N 3.5Å; E304-A307 PolarHBondContact O-N 2.99Å; E304-A308 WeakPolarHBondContact O-CB 3.36Å; E304-A308 PolarHBondContact O-N 3.33Å |
| 305 | V | 84.8 | Confident | 83.9 | Confident | 90 Ų | 90 | 93.3 Ų | 93.3 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 177.7 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | Q301 F302 A308 S309 | Q301-V305 WeakPolarHBondContact O-CG2 3.43Å; Q301-V305 PolarHBondContact O-N 3.46Å; Q301-V305 VanDerWaalsContact O-N 3.16Å; F302-V305 PolarHBondContact O-N 2.91Å; V305-A308 PolarHBondContact O-N 3.42Å; V305-S309 WeakPolarHBondContact O-CB 3.29Å; V305-S309 PolarHBondContact O-N 2.87Å; V305-S309 PolarHBondContact O-OG 3.35Å |
| 306 | L | 79.3 | Confident | 83.3 | Confident | 44 Ų | 44 | 91.7 Ų | 91.7 | 23% | 0.23 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 176.2 | -73 | -171.8 | 0 | 0 | 0 | 111.8 | F302 N303 E304 A308 S309 L316 | F302-L306 HydrophobicContact CD1-CD1 3.79Å; F302-L306 HydrophobicContact CD1-CG 4.2Å; F302-L306 HydrophobicContact CE1-CD1 3.31Å; F302-L306 HydrophobicContact CE1-CD2 4.45Å; F302-L306 HydrophobicContact CE1-CG 3.93Å; F302-L306 HydrophobicContact CE2-CD2 4.37Å; F302-L306 HydrophobicContact CE2-CG 4.44Å; F302-L306 HydrophobicContact CZ-CD1 3.78Å; F302-L306 HydrophobicContact CZ-CD2 4.08Å; F302-L306 HydrophobicContact CZ-CG 4.05Å; F302-L306 WeakPolarHBondContact O-CG 3.29Å; F302-L306 PolarHBondContact O-N 2.88Å; N303-L306 PolarHBondContact O-N 3.42Å; E304-L306 PolarHBondContact O-N 3.5Å; L306-A308 VanDerWaalsContact C-N 3.34Å; L306-A308 PolarHBondContact O-N 3.3Å; L306-S309 PolarHBondContact O-N 3.01Å; L306-L316 HydrophobicContact CD1-CD2 3.75Å; L306-L316 HydrophobicContact CD2-CD1 3.75Å; L306-L316 HydrophobicContact CD2-CD2 3.38Å; L306-L316 HydrophobicContact CD2-CG 4.17Å; L306-L316 HydrophobicContact CG-CD2 4.1Å |
| 307 | A | 80.9 | Confident | 82.8 | Confident | 71 Ų | 71 | 90.8 Ų | 90.8 | 59% | 0.587 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -40.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N303 E304 S309 | N303-A307 WeakPolarHBondContact O-CB 3.36Å; N303-A307 PolarHBondContact O-N 3.46Å; E304-A307 PolarHBondContact O-N 2.99Å; A307-S309 VanDerWaalsContact C-N 3.34Å; A307-S309 PolarHBondContact O-N 3.48Å |
| 308 | A | 82.3 | Confident | 82.4 | Confident | 83 Ų | 83 | 89 Ų | 89 | 69% | 0.686 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.1 | -29 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | E304 V305 L306 N310 | E304-A308 WeakPolarHBondContact O-CB 3.36Å; E304-A308 PolarHBondContact O-N 3.33Å; V305-A308 PolarHBondContact O-N 3.42Å; L306-A308 VanDerWaalsContact C-N 3.34Å; L306-A308 PolarHBondContact O-N 3.3Å; A308-N310 VanDerWaalsContact C-N 3.35Å; A308-N310 PolarHBondContact O-N 2.9Å |
| 309 | S | 76.9 | Confident | 82 | Confident | 59 Ų | 59 | 86.9 Ų | 86.9 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -82.8 | -9 | -172.8 | -56.6 | 0 | 0 | 0 | 0 | 113.9 | V305 L306 A307 L311 | V305-S309 WeakPolarHBondContact O-CB 3.29Å; V305-S309 PolarHBondContact O-N 2.87Å; V305-S309 PolarHBondContact O-OG 3.35Å; L306-S309 PolarHBondContact O-N 3.01Å; A307-S309 VanDerWaalsContact C-N 3.34Å; A307-S309 PolarHBondContact O-N 3.48Å; S309-L311 PolarHBondContact O-N 3.36Å |
| 310 | N | 72.9 | Confident | 81.7 | Confident | 150 Ų | 150 | 83.8 Ų | 83.8 | 80% | 0.802 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.1 | 38.5 | -179.5 | -76.4 | -28.5 | 0 | 0 | 0 | 113.5 | A308 | A308-N310 VanDerWaalsContact C-N 3.35Å; A308-N310 PolarHBondContact O-N 2.9Å |
| 311 | L | 74.8 | Confident | 81.6 | Confident | 93 Ų | 93 | 87.8 Ų | 87.8 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | trans | -74.7 | 145.4 | -179.8 | -62.5 | 170.7 | 0 | 0 | 0 | 109.5 | S309 P313 L316 | S309-L311 PolarHBondContact O-N 3.36Å; L311-P313 VanDerWaalsContact O-CD 3.31Å; L311-P313 WeakPolarHBondContact O-CD 3.36Å; L311-L316 HydrophobicContact CD1-CD1 4.05Å | ||
| 312 | D | 78.6 | Confident | 81.5 | Confident | 99 Ų | 99 | 90.2 Ų | 90.2 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | trans | -57.6 | 118.9 | 172.3 | 169.5 | 28.3 | 0 | 0 | 0 | 109.9 | A314 A315 L316 | D312-A314 PolarHBondContact O-N 2.81Å; D312-A314 PolarHBondContact OD1-N 3.47Å; D312-A315 HydrophobicContact CB-CB 4.13Å; D312-A315 PolarHBondContact O-N 3.16Å; D312-A315 PolarHBondContact OD2-N 3.31Å; D312-L316 PolarHBondContact O-N 2.87Å | ||
| 313 | P | 78.7 | Confident | 81.6 | Confident | 93 Ų | 93 | 90 Ų | 90 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -56.3 | -33.5 | -177.7 | -26.5 | 34.9 | 0 | 0 | 0 | 113.5 | L311 T317 | L311-P313 VanDerWaalsContact O-CD 3.31Å; L311-P313 WeakPolarHBondContact O-CD 3.36Å; P313-T317 WeakPolarHBondContact O-CB 3.39Å; P313-T317 PolarHBondContact O-N 3.31Å; P313-T317 PolarHBondContact O-OG1 2.87Å |
| 314 | A | 80 | Confident | 81.8 | Confident | 66 Ų | 66 | 91.5 Ų | 91.5 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.1 | -47.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D312 L318 | D312-A314 PolarHBondContact O-N 2.81Å; D312-A314 PolarHBondContact OD1-N 3.47Å; A314-L318 WeakPolarHBondContact O-CB 3.28Å; A314-L318 PolarHBondContact O-N 3.49Å; A314-L318 VanDerWaalsContact O-N 3.1Å |
| 315 | A | 79.1 | Confident | 82 | Confident | 47 Ų | 47 | 89.7 Ų | 89.7 | 39% | 0.388 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D312 L318 V319 | D312-A315 HydrophobicContact CB-CB 4.13Å; D312-A315 PolarHBondContact O-N 3.16Å; D312-A315 PolarHBondContact OD2-N 3.31Å; A315-L318 PolarHBondContact O-N 3.11Å; A315-V319 WeakPolarHBondContact O-CG2 3.45Å; A315-V319 PolarHBondContact O-N 2.72Å |
| 316 | L | 80.8 | Confident | 82.4 | Confident | 45 Ų | 45 | 88.9 Ų | 88.9 | 24% | 0.236 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -63.9 | -47.6 | 178.1 | -178.8 | 73.9 | 0 | 0 | 0 | 111.9 | L306 L311 D312 L318 V319 S320 | L306-L316 HydrophobicContact CD1-CD2 3.75Å; L306-L316 HydrophobicContact CD2-CD1 3.75Å; L306-L316 HydrophobicContact CD2-CD2 3.38Å; L306-L316 HydrophobicContact CD2-CG 4.17Å; L306-L316 HydrophobicContact CG-CD2 4.1Å; L311-L316 HydrophobicContact CD1-CD1 4.05Å; D312-L316 PolarHBondContact O-N 2.87Å; L316-L318 PolarHBondContact O-N 3.06Å; L316-V319 PolarHBondContact O-N 3.38Å; L316-V319 VanDerWaalsContact O-N 3.15Å; L316-S320 WeakPolarHBondContact O-CB 3.38Å; L316-S320 PolarHBondContact O-N 2.84Å; L316-S320 PolarHBondContact O-OG 3.07Å |
| 317 | T | 81.7 | Confident | 82.9 | Confident | 93 Ų | 93 | 91 Ų | 91 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.2 | -40.5 | 177.6 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | P313 R321 | P313-T317 WeakPolarHBondContact O-CB 3.39Å; P313-T317 PolarHBondContact O-N 3.31Å; P313-T317 PolarHBondContact O-OG1 2.87Å; T317-R321 WeakPolarHBondContact O-CB 3.4Å; T317-R321 PolarHBondContact O-N 3.32Å |
| 318 | L | 84.9 | Confident | 83.4 | Confident | 98 Ų | 98 | 94 Ų | 94 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 176.1 | -177.9 | 67 | 0 | 0 | 0 | 112.3 | A314 A315 L316 K322 | A314-L318 WeakPolarHBondContact O-CB 3.28Å; A314-L318 PolarHBondContact O-N 3.49Å; A314-L318 VanDerWaalsContact O-N 3.1Å; A315-L318 PolarHBondContact O-N 3.11Å; L316-L318 PolarHBondContact O-N 3.06Å; L318-K322 WeakPolarHBondContact O-CB 3.38Å; L318-K322 WeakPolarHBondContact O-CG 3.48Å; L318-K322 PolarHBondContact O-N 3.11Å |
| 319 | V | 84.2 | Confident | 83.9 | Confident | 94 Ų | 94 | 93.4 Ų | 93.4 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.4 | -45.4 | 178.4 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | A315 L316 R321 K322 L323 | A315-V319 WeakPolarHBondContact O-CG2 3.45Å; A315-V319 PolarHBondContact O-N 2.72Å; L316-V319 PolarHBondContact O-N 3.38Å; L316-V319 VanDerWaalsContact O-N 3.15Å; V319-R321 VanDerWaalsContact C-N 3.34Å; V319-R321 PolarHBondContact O-N 2.88Å; V319-K322 PolarHBondContact O-N 3.35Å; V319-L323 WeakPolarHBondContact O-CB 3.48Å; V319-L323 PolarHBondContact O-N 2.96Å |
| 320 | S | 82.5 | Confident | 84.6 | Confident | 48 Ų | 48 | 96.7 Ų | 96.7 | 34% | 0.336 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59 | -46 | 175.7 | -68 | 0 | 0 | 0 | 0 | 111.2 | L316 L323 E324 | L316-S320 WeakPolarHBondContact O-CB 3.38Å; L316-S320 PolarHBondContact O-N 2.84Å; L316-S320 PolarHBondContact O-OG 3.07Å; S320-L323 PolarHBondContact O-N 3.41Å; S320-E324 WeakPolarHBondContact O-CB 3.38Å; S320-E324 PolarHBondContact O-N 2.89Å |
| 321 | R | 86.6 | Confident | 85.5 | Confident | 165 Ų | 165 | 93.7 Ų | 93.7 | 62% | 0.623 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.7 | -44.5 | 176.3 | -173 | 174.9 | -178.5 | 157.6 | 2.7 | 112 | T317 V319 L323 E324 D325 | T317-R321 WeakPolarHBondContact O-CB 3.4Å; T317-R321 PolarHBondContact O-N 3.32Å; V319-R321 VanDerWaalsContact C-N 3.34Å; V319-R321 PolarHBondContact O-N 2.88Å; R321-L323 VanDerWaalsContact C-N 3.29Å; R321-L323 PolarHBondContact O-N 3.35Å; R321-E324 PolarHBondContact O-N 3.1Å; R321-D325 WeakPolarHBondContact O-CB 3.36Å; R321-D325 PolarHBondContact O-N 3.43Å |
| 322 | K | 87.9 | Confident | 86.2 | Confident | 127 Ų | 127 | 91.9 Ų | 91.9 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.9 | -38.6 | 174.2 | -79.8 | -178.2 | 178.1 | -177.3 | 0 | 112.2 | L318 V319 V326 | L318-K322 WeakPolarHBondContact O-CB 3.38Å; L318-K322 WeakPolarHBondContact O-CG 3.48Å; L318-K322 PolarHBondContact O-N 3.11Å; V319-K322 PolarHBondContact O-N 3.35Å; K322-V326 WeakPolarHBondContact O-CB 3.46Å; K322-V326 WeakPolarHBondContact O-CG2 3.33Å; K322-V326 PolarHBondContact O-N 3.05Å |
| 323 | L | 87.6 | Confident | 86.9 | Confident | 103 Ų | 103 | 90.3 Ų | 90.3 | 54% | 0.539 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69 | -40.8 | 177.6 | -173.5 | 65.4 | 0 | 0 | 0 | 111 | V319 S320 R321 V326 L327 | V319-L323 WeakPolarHBondContact O-CB 3.48Å; V319-L323 PolarHBondContact O-N 2.96Å; S320-L323 PolarHBondContact O-N 3.41Å; R321-L323 VanDerWaalsContact C-N 3.29Å; R321-L323 PolarHBondContact O-N 3.35Å; L323-V326 PolarHBondContact O-N 3.39Å; L323-L327 HydrophobicContact CG-CD1 4.21Å; L323-L327 WeakPolarHBondContact O-CB 3.46Å; L323-L327 VanDerWaalsContact O-CG 3.26Å; L323-L327 WeakPolarHBondContact O-CG 3.48Å; L323-L327 PolarHBondContact O-N 3.42Å |
| 324 | E | 87.7 | Confident | 87.3 | Confident | 128 Ų | 128 | 89.8 Ų | 89.8 | 60% | 0.598 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.5 | -47.4 | 174.3 | -168.3 | 165.5 | -149.4 | 0 | 0 | 111 | S320 R321 V326 L327 E328 | S320-E324 WeakPolarHBondContact O-CB 3.38Å; S320-E324 PolarHBondContact O-N 2.89Å; R321-E324 PolarHBondContact O-N 3.1Å; E324-V326 VanDerWaalsContact C-N 3.29Å; E324-V326 PolarHBondContact O-N 2.87Å; E324-L327 PolarHBondContact O-N 3.05Å; E324-L327 VanDerWaalsContact O-N 3.16Å; E324-E328 VanDerWaalsContact O-CB 3.31Å; E324-E328 WeakPolarHBondContact O-CB 3.41Å; E324-E328 PolarHBondContact O-N 3.16Å |
| 325 | D | 89.9 | Confident | 87.6 | Confident | 87 Ų | 87 | 93.4 Ų | 93.4 | 47% | 0.465 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.5 | -40.9 | 173.7 | -67.1 | -24.2 | 0 | 0 | 0 | 111.4 | R321 S329 | R321-D325 WeakPolarHBondContact O-CB 3.36Å; R321-D325 PolarHBondContact O-N 3.43Å; D325-S329 WeakPolarHBondContact O-CB 3.5Å; D325-S329 PolarHBondContact O-N 2.86Å |
| 326 | V | 92.4 | Very high | 87.9 | Confident | 73 Ų | 73 | 95.1 Ų | 95.1 | 44% | 0.442 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.8 | -41.5 | 176.9 | 168.3 | 0 | 0 | 0 | 0 | 111.6 | K322 L323 E324 K330 | K322-V326 WeakPolarHBondContact O-CB 3.46Å; K322-V326 WeakPolarHBondContact O-CG2 3.33Å; K322-V326 PolarHBondContact O-N 3.05Å; L323-V326 PolarHBondContact O-N 3.39Å; E324-V326 VanDerWaalsContact C-N 3.29Å; E324-V326 PolarHBondContact O-N 2.87Å; V326-K330 HydrophobicContact CG1-CD 4.15Å; V326-K330 WeakPolarHBondContact O-CB 3.45Å; V326-K330 VanDerWaalsContact O-CG 3.3Å; V326-K330 WeakPolarHBondContact O-CG 3.43Å; V326-K330 PolarHBondContact O-N 3.43Å |
| 327 | L | 90.7 | Very high | 88.3 | Confident | 90 Ų | 90 | 97.8 Ų | 97.8 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 177.2 | -75.1 | 171.9 | 0 | 0 | 0 | 110.9 | L323 E324 K330 N331 | L323-L327 HydrophobicContact CG-CD1 4.21Å; L323-L327 WeakPolarHBondContact O-CB 3.46Å; L323-L327 VanDerWaalsContact O-CG 3.26Å; L323-L327 WeakPolarHBondContact O-CG 3.48Å; L323-L327 PolarHBondContact O-N 3.42Å; E324-L327 PolarHBondContact O-N 3.05Å; E324-L327 VanDerWaalsContact O-N 3.16Å; L327-K330 PolarHBondContact O-N 3.23Å; L327-N331 VanDerWaalsContact O-CB 3.24Å; L327-N331 WeakPolarHBondContact O-CB 3.45Å; L327-N331 PolarHBondContact O-N 3.3Å; L327-N331 PolarHBondContact O-ND2 2.94Å |
| 328 | E | 91.1 | Very high | 88.4 | Confident | 133 Ų | 133 | 98 Ų | 98 | 62% | 0.621 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66 | -44.8 | 176.3 | -175.1 | 144.7 | -135.3 | 0 | 0 | 111 | E324 K330 N331 S332 | E324-E328 VanDerWaalsContact O-CB 3.31Å; E324-E328 WeakPolarHBondContact O-CB 3.41Å; E324-E328 PolarHBondContact O-N 3.16Å; E328-K330 PolarHBondContact O-N 2.86Å; E328-N331 PolarHBondContact O-N 3.42Å; E328-S332 WeakPolarHBondContact O-CB 3.26Å; E328-S332 PolarHBondContact O-N 3.23Å |
| 329 | S | 92.3 | Very high | 88.3 | Confident | 71 Ų | 71 | 99.1 Ų | 99.1 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 173 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | D325 S332 T333 | D325-S329 WeakPolarHBondContact O-CB 3.5Å; D325-S329 PolarHBondContact O-N 2.86Å; S329-S332 PolarHBondContact O-N 3.47Å; S329-T333 WeakPolarHBondContact O-CB 3.4Å; S329-T333 PolarHBondContact O-N 3.44Å; S329-T333 PolarHBondContact O-OG1 2.92Å |
| 330 | K | 92.8 | Very high | 88.4 | Confident | 127 Ų | 127 | 99.8 Ų | 99.8 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.5 | -42.5 | 175.7 | -78.5 | 178.1 | 178.5 | -73.7 | 0 | 111.9 | V326 L327 E328 T333 I334 | V326-K330 HydrophobicContact CG1-CD 4.15Å; V326-K330 WeakPolarHBondContact O-CB 3.45Å; V326-K330 VanDerWaalsContact O-CG 3.3Å; V326-K330 WeakPolarHBondContact O-CG 3.43Å; V326-K330 PolarHBondContact O-N 3.43Å; L327-K330 PolarHBondContact O-N 3.23Å; E328-K330 PolarHBondContact O-N 2.86Å; K330-T333 PolarHBondContact O-N 2.85Å; K330-I334 WeakPolarHBondContact O-CB 3.37Å; K330-I334 VanDerWaalsContact O-CG1 3.23Å; K330-I334 WeakPolarHBondContact O-CG1 3.34Å; K330-I334 PolarHBondContact O-N 3.01Å |
| 331 | N | 90.5 | Very high | 88.4 | Confident | 87 Ų | 87 | 102.1 Ų | 102.1 | 47% | 0.465 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 178.1 | -76.5 | -25.7 | 0 | 0 | 0 | 111.6 | L327 E328 I334 K335 | L327-N331 VanDerWaalsContact O-CB 3.24Å; L327-N331 WeakPolarHBondContact O-CB 3.45Å; L327-N331 PolarHBondContact O-N 3.3Å; L327-N331 PolarHBondContact O-ND2 2.94Å; E328-N331 PolarHBondContact O-N 3.42Å; N331-I334 PolarHBondContact O-N 2.9Å; N331-K335 VanDerWaalsContact O-CG 3.32Å; N331-K335 WeakPolarHBondContact O-CG 3.42Å; N331-K335 PolarHBondContact O-N 3.33Å |
| 332 | S | 90.8 | Very high | 88.2 | Confident | 55 Ų | 55 | 94.4 Ų | 94.4 | 39% | 0.385 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.3 | -50.6 | 171.4 | -166.7 | 0 | 0 | 0 | 0 | 109.9 | E328 S329 I334 K335 D336 | E328-S332 WeakPolarHBondContact O-CB 3.26Å; E328-S332 PolarHBondContact O-N 3.23Å; S329-S332 PolarHBondContact O-N 3.47Å; S332-I334 VanDerWaalsContact C-N 3.26Å; S332-I334 PolarHBondContact O-N 3.1Å; S332-K335 CarbonylContact O-C 3.55Å; S332-K335 WeakPolarHBondContact O-CA 3.43Å; S332-K335 WeakPolarHBondContact O-CB 3.49Å; S332-K335 PolarHBondContact O-N 3.15Å; S332-D336 WeakPolarHBondContact O-CB 3.27Å; S332-D336 PolarHBondContact O-N 2.89Å; S332-D336 VanDerWaalsContact O-OD2 3.08Å; S332-D336 PolarHBondContact OG-OD2 3.45Å |
| 333 | T | 91.9 | Very high | 87.9 | Confident | 66 Ų | 66 | 92.5 Ų | 92.5 | 41% | 0.405 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -57.1 | -40 | 177.8 | -51.4 | 0 | 0 | 0 | 0 | 111.7 | S329 K330 D336 L337 | S329-T333 WeakPolarHBondContact O-CB 3.4Å; S329-T333 PolarHBondContact O-N 3.44Å; S329-T333 PolarHBondContact O-OG1 2.92Å; K330-T333 PolarHBondContact O-N 2.85Å; T333-D336 PolarHBondContact O-N 2.92Å; T333-L337 HydrophobicContact CG2-CD1 3.89Å; T333-L337 HydrophobicContact CG2-CG 4.21Å; T333-L337 VanDerWaalsContact O-CB 3.28Å; T333-L337 WeakPolarHBondContact O-CB 3.36Å; T333-L337 WeakPolarHBondContact O-CG 3.34Å; T333-L337 PolarHBondContact O-N 2.81Å |
| 334 | I | 88.1 | Confident | 87.8 | Confident | 83 Ų | 83 | 92.2 Ų | 92.2 | 43% | 0.426 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 175.3 | -72.2 | 164 | 0 | 0 | 0 | 110.5 | K330 N331 S332 Q338 | K330-I334 WeakPolarHBondContact O-CB 3.37Å; K330-I334 VanDerWaalsContact O-CG1 3.23Å; K330-I334 WeakPolarHBondContact O-CG1 3.34Å; K330-I334 PolarHBondContact O-N 3.01Å; N331-I334 PolarHBondContact O-N 2.9Å; S332-I334 VanDerWaalsContact C-N 3.26Å; S332-I334 PolarHBondContact O-N 3.1Å; I334-Q338 HydrophobicContact CG2-CG 4.45Å; I334-Q338 VanDerWaalsContact O-CB 3.29Å; I334-Q338 WeakPolarHBondContact O-CB 3.41Å; I334-Q338 WeakPolarHBondContact O-CG 3.37Å; I334-Q338 PolarHBondContact O-N 3.29Å |
| 335 | K | 85.7 | Confident | 87.6 | Confident | 142 Ų | 142 | 86.8 Ų | 86.8 | 62% | 0.617 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 176.9 | -71.8 | 171.5 | -178.1 | 176.7 | 0 | 111.5 | N331 S332 Q338 Y339 | N331-K335 VanDerWaalsContact O-CG 3.32Å; N331-K335 WeakPolarHBondContact O-CG 3.42Å; N331-K335 PolarHBondContact O-N 3.33Å; S332-K335 CarbonylContact O-C 3.55Å; S332-K335 WeakPolarHBondContact O-CA 3.43Å; S332-K335 WeakPolarHBondContact O-CB 3.49Å; S332-K335 PolarHBondContact O-N 3.15Å; K335-Q338 PolarHBondContact O-N 3.43Å; K335-Y339 WeakPolarHBondContact O-CB 3.44Å; K335-Y339 PolarHBondContact O-N 3.31Å |
| 336 | D | 86.8 | Confident | 87.2 | Confident | 83 Ų | 83 | 83.1 Ų | 83.1 | 44% | 0.444 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.5 | -46.9 | -179.7 | -63.3 | -30.4 | 0 | 0 | 0 | 110.4 | S332 T333 Q338 Y339 E340 | S332-D336 WeakPolarHBondContact O-CB 3.27Å; S332-D336 PolarHBondContact O-N 2.89Å; S332-D336 VanDerWaalsContact O-OD2 3.08Å; S332-D336 PolarHBondContact OG-OD2 3.45Å; T333-D336 PolarHBondContact O-N 2.92Å; D336-Q338 PolarHBondContact O-N 3.04Å; D336-Y339 CarbonylContact O-C 3.59Å; D336-Y339 WeakPolarHBondContact O-CB 3.41Å; D336-Y339 PolarHBondContact O-N 3.36Å; D336-E340 WeakPolarHBondContact O-CB 3.43Å; D336-E340 WeakPolarHBondContact O-CG 3.47Å; D336-E340 PolarHBondContact O-N 3.45Å |
| 337 | L | 89.1 | Confident | 86.7 | Confident | 101 Ų | 101 | 82.4 Ų | 82.4 | 53% | 0.529 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 175.7 | -71.6 | 174 | 0 | 0 | 0 | 112.6 | T333 Y339 L341 | T333-L337 HydrophobicContact CG2-CD1 3.89Å; T333-L337 HydrophobicContact CG2-CG 4.21Å; T333-L337 VanDerWaalsContact O-CB 3.28Å; T333-L337 WeakPolarHBondContact O-CB 3.36Å; T333-L337 WeakPolarHBondContact O-CG 3.34Å; T333-L337 PolarHBondContact O-N 2.81Å; L337-Y339 VanDerWaalsContact C-N 3.32Å; L337-L341 VanDerWaalsContact O-CB 3.23Å; L337-L341 WeakPolarHBondContact O-CB 3.29Å; L337-L341 PolarHBondContact O-N 2.86Å |
| 338 | Q | 84.1 | Confident | 86.5 | Confident | 98 Ų | 98 | 81.7 Ų | 81.7 | 46% | 0.458 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 173.2 | -78 | 174.7 | -8.5 | 0 | 0 | 111.2 | I334 K335 D336 A342 | I334-Q338 HydrophobicContact CG2-CG 4.45Å; I334-Q338 VanDerWaalsContact O-CB 3.29Å; I334-Q338 WeakPolarHBondContact O-CB 3.41Å; I334-Q338 WeakPolarHBondContact O-CG 3.37Å; I334-Q338 PolarHBondContact O-N 3.29Å; K335-Q338 PolarHBondContact O-N 3.43Å; D336-Q338 PolarHBondContact O-N 3.04Å; Q338-A342 WeakPolarHBondContact O-CB 3.28Å; Q338-A342 PolarHBondContact O-N 3.33Å |
| 339 | Y | 82.5 | Confident | 86.1 | Confident | 121 Ų | 121 | 76 Ų | 76 | 48% | 0.475 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67 | -45.6 | 176 | -179 | -96.7 | 0 | 0 | 0 | 111.8 | K335 D336 L337 L341 A342 Q343 | K335-Y339 WeakPolarHBondContact O-CB 3.44Å; K335-Y339 PolarHBondContact O-N 3.31Å; D336-Y339 CarbonylContact O-C 3.59Å; D336-Y339 WeakPolarHBondContact O-CB 3.41Å; D336-Y339 PolarHBondContact O-N 3.36Å; L337-Y339 VanDerWaalsContact C-N 3.32Å; Y339-L341 VanDerWaalsContact C-N 3.35Å; Y339-L341 PolarHBondContact O-N 2.97Å; Y339-A342 CarbonylContact O-C 3.55Å; Y339-A342 WeakPolarHBondContact O-CB 3.37Å; Y339-A342 PolarHBondContact O-N 2.84Å; Y339-Q343 WeakPolarHBondContact O-CB 3.46Å; Y339-Q343 PolarHBondContact O-N 2.92Å |
| 340 | E | 84.8 | Confident | 85.7 | Confident | 108 Ų | 108 | 74.6 Ų | 74.6 | 51% | 0.505 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 175.5 | -76.2 | -173.9 | 177.9 | 0 | 0 | 111.4 | D336 A342 Q343 V344 | D336-E340 WeakPolarHBondContact O-CB 3.43Å; D336-E340 WeakPolarHBondContact O-CG 3.47Å; D336-E340 PolarHBondContact O-N 3.45Å; E340-A342 VanDerWaalsContact C-N 3.33Å; E340-A342 PolarHBondContact O-N 2.78Å; E340-Q343 WeakPolarHBondContact O-CB 3.49Å; E340-Q343 PolarHBondContact O-N 3.5Å; E340-Q343 VanDerWaalsContact O-N 3.15Å; E340-V344 WeakPolarHBondContact O-CG2 3.35Å; E340-V344 PolarHBondContact O-N 3.1Å |
| 341 | L | 84.3 | Confident | 85.3 | Confident | 96 Ų | 96 | 73 Ų | 73 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 174.7 | -178.2 | 64.1 | 0 | 0 | 0 | 110.8 | L337 Y339 Q343 V344 C345 | L337-L341 VanDerWaalsContact O-CB 3.23Å; L337-L341 WeakPolarHBondContact O-CB 3.29Å; L337-L341 PolarHBondContact O-N 2.86Å; Y339-L341 VanDerWaalsContact C-N 3.35Å; Y339-L341 PolarHBondContact O-N 2.97Å; L341-Q343 VanDerWaalsContact C-N 3.3Å; L341-Q343 PolarHBondContact O-N 2.82Å; L341-V344 PolarHBondContact O-N 3.45Å; L341-C345 WeakPolarHBondContact O-CB 3.33Å; L341-C345 PolarHBondContact O-N 3.21Å; L341-C345 PolarHBondContact O-SG 3.23Å |
| 342 | A | 81.4 | Confident | 85.1 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 3% | 0.025 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q338 Y339 E340 K346 V378 L383 | Q338-A342 WeakPolarHBondContact O-CB 3.28Å; Q338-A342 PolarHBondContact O-N 3.33Å; Y339-A342 CarbonylContact O-C 3.55Å; Y339-A342 WeakPolarHBondContact O-CB 3.37Å; Y339-A342 PolarHBondContact O-N 2.84Å; E340-A342 VanDerWaalsContact C-N 3.33Å; E340-A342 PolarHBondContact O-N 2.78Å; A342-K346 VanDerWaalsContact O-CB 3.28Å; A342-K346 WeakPolarHBondContact O-CB 3.46Å; A342-K346 PolarHBondContact O-N 2.89Å; A342-V378 HydrophobicContact CB-CG2 4.38Å; A342-L383 HydrophobicContact CB-CD2 3.97Å |
| 343 | Q | 81.2 | Confident | 84.8 | Confident | 88 Ų | 88 | 71 Ų | 71 | 41% | 0.411 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 175.2 | -174.7 | 171.8 | 15.5 | 0 | 0 | 112.9 | Y339 E340 L341 K346 A347 L390 | Y339-Q343 WeakPolarHBondContact O-CB 3.46Å; Y339-Q343 PolarHBondContact O-N 2.92Å; E340-Q343 WeakPolarHBondContact O-CB 3.49Å; E340-Q343 PolarHBondContact O-N 3.5Å; E340-Q343 VanDerWaalsContact O-N 3.15Å; L341-Q343 VanDerWaalsContact C-N 3.3Å; L341-Q343 PolarHBondContact O-N 2.82Å; Q343-K346 PolarHBondContact O-N 2.98Å; Q343-A347 WeakPolarHBondContact O-CB 3.45Å; Q343-A347 PolarHBondContact O-N 2.91Å; Q343-L390 HydrophobicContact CB-CD1 4.28Å; Q343-L390 HydrophobicContact CB-CD2 3.92Å; Q343-L390 HydrophobicContact CG-CD1 3.86Å; Q343-L390 HydrophobicContact CG-CD2 4.35Å |
| 344 | V | 85.2 | Confident | 84.5 | Confident | 97 Ų | 97 | 71.8 Ų | 71.8 | 59% | 0.588 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67.9 | -45.3 | 179.3 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | E340 L341 K346 A347 H348 | E340-V344 WeakPolarHBondContact O-CG2 3.35Å; E340-V344 PolarHBondContact O-N 3.1Å; L341-V344 PolarHBondContact O-N 3.45Å; V344-K346 VanDerWaalsContact C-N 3.25Å; V344-K346 PolarHBondContact O-N 2.89Å; V344-A347 PolarHBondContact O-N 3.23Å; V344-H348 WeakPolarHBondContact O-CB 3.38Å; V344-H348 PolarHBondContact O-N 3.48Å |
| 345 | C | 84.2 | Confident | 84.3 | Confident | 13 Ų | 13 | 75 Ų | 75 | 9% | 0.088 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.8 | -38.2 | 176.4 | -71 | 0 | 0 | 0 | 0 | 111.8 | L341 N349 T376 V378 L383 | L341-C345 WeakPolarHBondContact O-CB 3.33Å; L341-C345 PolarHBondContact O-N 3.21Å; L341-C345 PolarHBondContact O-SG 3.23Å; C345-N349 PolarHBondContact O-N 3.44Å; C345-N349 PolarHBondContact O-ND2 2.88Å; C345-T376 WeakPolarHBondContact CA-OG1 3.49Å; C345-T376 PolarHBondContact O-OG1 3.2Å; C345-V378 HydrophobicContact CB-CG2 3.96Å; C345-L383 HydrophobicContact CB-CD1 3.74Å |
| 346 | K | 81.2 | Confident | 84.3 | Confident | 10 Ų | 10 | 71.4 Ų | 71.4 | 4% | 0.043 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.1 | -47.8 | 175.4 | -164.7 | -168.3 | 177.5 | -118.2 | 0 | 112 | A342 Q343 V344 H348 N349 D350 L383 G384 G386 P387 G389 L390 | A342-K346 VanDerWaalsContact O-CB 3.28Å; A342-K346 WeakPolarHBondContact O-CB 3.46Å; A342-K346 PolarHBondContact O-N 2.89Å; Q343-K346 PolarHBondContact O-N 2.98Å; V344-K346 VanDerWaalsContact C-N 3.25Å; V344-K346 PolarHBondContact O-N 2.89Å; K346-H348 PolarHBondContact O-N 2.9Å; K346-N349 PolarHBondContact O-N 3.44Å; K346-N349 VanDerWaalsContact O-N 3.13Å; K346-D350 WeakPolarHBondContact CE-OD2 3.47Å; K346-D350 IonicContact NZ-OD2 2.88Å; K346-D350 PolarHBondContact NZ-OD2 3.35Å; K346-D350 WeakPolarHBondContact O-CB 3.3Å; K346-D350 PolarHBondContact O-N 2.66Å; K346-L383 HydrophobicContact CB-CD2 4.32Å; K346-G384 WeakPolarHBondContact CE-O 3.4Å; K346-G386 VanDerWaalsContact CE-O 3.29Å; K346-G386 WeakPolarHBondContact CE-O 3.41Å; K346-G386 PolarHBondContact NZ-O 3.43Å; K346-P387 PolarHBondContact NZ-O 3.37Å; K346-P387 VanDerWaalsContact NZ-O 3.07Å; K346-G389 VanDerWaalsContact CE-C 3.41Å; K346-G389 WeakPolarHBondContact CE-O 3.42Å; K346-L390 HydrophobicContact CB-CD2 4.06Å; K346-L390 HydrophobicContact CD-CD2 3.84Å; K346-L390 HydrophobicContact CD-CG 3.67Å |
| 347 | A | 83 | Confident | 84.3 | Confident | 59 Ų | 59 | 70.2 Ų | 70.2 | 49% | 0.488 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58 | -39.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q343 V344 L351 | Q343-A347 WeakPolarHBondContact O-CB 3.45Å; Q343-A347 PolarHBondContact O-N 2.91Å; V344-A347 PolarHBondContact O-N 3.23Å; A347-L351 WeakPolarHBondContact O-CB 3.49Å; A347-L351 PolarHBondContact O-N 3.17Å |
| 348 | H | 85.2 | Confident | 84.3 | Confident | 75 Ų | 75 | 71.4 Ų | 71.4 | 35% | 0.347 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.2 | -52.5 | 172.4 | 178.3 | 77.2 | 0 | 0 | 0 | 111.8 | V344 K346 D350 L351 L352 L374 T376 | V344-H348 WeakPolarHBondContact O-CB 3.38Å; V344-H348 PolarHBondContact O-N 3.48Å; K346-H348 PolarHBondContact O-N 2.9Å; H348-D350 PolarHBondContact O-N 3.25Å; H348-L351 PolarHBondContact O-N 3.26Å; H348-L352 WeakPolarHBondContact NE2-CD1 3.46Å; H348-L352 WeakPolarHBondContact O-CG 3.26Å; H348-L352 PolarHBondContact O-N 3.26Å; H348-L374 PolarHBondContact NE2-O 2.94Å; H348-L374 VanDerWaalsContact NE2-O 3.15Å; H348-T376 PolarHBondContact CD2-OG1 3.44Å; H348-T376 VanDerWaalsContact CD2-OG1 3.3Å |
| 349 | N | 83.9 | Confident | 84.4 | Confident | 14 Ų | 14 | 69 Ų | 69 | 8% | 0.075 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.5 | -38.9 | -179.4 | -66.6 | -16.4 | 0 | 0 | 0 | 112.7 | C345 K346 L352 R353 T376 | C345-N349 PolarHBondContact O-N 3.44Å; C345-N349 PolarHBondContact O-ND2 2.88Å; K346-N349 PolarHBondContact O-N 3.44Å; K346-N349 VanDerWaalsContact O-N 3.13Å; N349-L352 PolarHBondContact O-N 3.37Å; N349-R353 WeakPolarHBondContact O-CG 3.34Å; N349-R353 PolarHBondContact O-N 2.99Å; N349-R353 VanDerWaalsContact O-N 3.08Å; N349-T376 PolarHBondContact ND2-O 3.46Å; N349-T376 PolarHBondContact OD1-N 2.92Å; N349-T376 VanDerWaalsContact OD1-N 3.09Å; N349-T376 PolarHBondContact OD1-OG1 3.07Å |
| 350 | D | 83.2 | Confident | 84.6 | Confident | 41 Ų | 41 | 68 Ų | 68 | 22% | 0.219 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 176.6 | -74.5 | -13.9 | 0 | 0 | 0 | 110.6 | K346 H348 R353 T354 | K346-D350 WeakPolarHBondContact CE-OD2 3.47Å; K346-D350 IonicContact NZ-OD2 2.88Å; K346-D350 PolarHBondContact NZ-OD2 3.35Å; K346-D350 WeakPolarHBondContact O-CB 3.3Å; K346-D350 PolarHBondContact O-N 2.66Å; H348-D350 PolarHBondContact O-N 3.25Å; D350-R353 PolarHBondContact O-N 2.87Å; D350-T354 WeakPolarHBondContact O-CB 3.4Å; D350-T354 PolarHBondContact O-N 2.98Å; D350-T354 PolarHBondContact O-OG1 3.44Å |
| 351 | L | 84.9 | Confident | 84.8 | Confident | 92 Ų | 92 | 66.7 Ų | 66.7 | 48% | 0.482 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 175.3 | -178.2 | 64.1 | 0 | 0 | 0 | 111.4 | A347 H348 R353 T354 Y355 | A347-L351 WeakPolarHBondContact O-CB 3.49Å; A347-L351 PolarHBondContact O-N 3.17Å; H348-L351 PolarHBondContact O-N 3.26Å; L351-R353 PolarHBondContact O-N 3.28Å; L351-T354 PolarHBondContact O-N 3.44Å; L351-Y355 HydrophobicContact CD1-CD2 3.87Å; L351-Y355 HydrophobicContact CD1-CE2 3.51Å; L351-Y355 HydrophobicContact CD2-CE2 4.06Å; L351-Y355 HydrophobicContact CG-CD2 3.78Å; L351-Y355 HydrophobicContact CG-CE2 3.63Å; L351-Y355 WeakPolarHBondContact O-CD2 3.47Å; L351-Y355 PolarHBondContact O-N 3.44Å |
| 352 | L | 85.1 | Confident | 85 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 16% | 0.157 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -55.8 | -50.8 | 174.9 | -74.4 | 177.4 | 0 | 0 | 0 | 111.3 | H348 N349 T354 Y355 E356 P373 | H348-L352 WeakPolarHBondContact NE2-CD1 3.46Å; H348-L352 WeakPolarHBondContact O-CG 3.26Å; H348-L352 PolarHBondContact O-N 3.26Å; N349-L352 PolarHBondContact O-N 3.37Å; L352-T354 VanDerWaalsContact C-N 3.28Å; L352-T354 PolarHBondContact O-N 3.47Å; L352-Y355 PolarHBondContact O-N 3.34Å; L352-E356 WeakPolarHBondContact O-CG 3.45Å; L352-E356 PolarHBondContact O-N 2.95Å; L352-P373 HydrophobicContact CD1-CB 3.66Å; L352-P373 HydrophobicContact CD2-CB 3.42Å; L352-P373 VanDerWaalsContact CD2-CB 3.42Å; L352-P373 HydrophobicContact CD2-CG 3.72Å; L352-P373 HydrophobicContact CG-CB 4.15Å |
| 353 | R | 84.9 | Confident | 85.1 | Confident | 72 Ų | 72 | 72.6 Ų | 72.6 | 27% | 0.272 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 176.6 | -71 | 177.5 | -177.1 | 154.3 | 8 | 112.9 | N349 D350 L351 E356 A357 Q385 | N349-R353 WeakPolarHBondContact O-CG 3.34Å; N349-R353 PolarHBondContact O-N 2.99Å; N349-R353 VanDerWaalsContact O-N 3.08Å; D350-R353 PolarHBondContact O-N 2.87Å; L351-R353 PolarHBondContact O-N 3.28Å; R353-E356 PolarHBondContact O-N 3.15Å; R353-A357 VanDerWaalsContact O-CB 3.32Å; R353-A357 WeakPolarHBondContact O-CB 3.37Å; R353-A357 PolarHBondContact O-N 3.37Å; R353-Q385 PolarHBondContact NH1-O 2.7Å |
| 354 | T | 86.3 | Confident | 85.3 | Confident | 82 Ų | 82 | 71.8 Ų | 71.8 | 50% | 0.503 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 178.5 | -48.3 | 0 | 0 | 0 | 0 | 111 | D350 L351 L352 A357 K358 | D350-T354 WeakPolarHBondContact O-CB 3.4Å; D350-T354 PolarHBondContact O-N 2.98Å; D350-T354 PolarHBondContact O-OG1 3.44Å; L351-T354 PolarHBondContact O-N 3.44Å; L352-T354 VanDerWaalsContact C-N 3.28Å; L352-T354 PolarHBondContact O-N 3.47Å; T354-A357 PolarHBondContact O-N 2.93Å; T354-K358 WeakPolarHBondContact O-CB 3.48Å; T354-K358 WeakPolarHBondContact O-CG 3.48Å; T354-K358 PolarHBondContact O-N 3.36Å |
| 355 | Y | 84.4 | Confident | 85.2 | Confident | 149 Ų | 149 | 70 Ų | 70 | 58% | 0.584 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.1 | -46.1 | 173.5 | -86 | -62.4 | 0 | 0 | 0 | 111.8 | L351 L352 A357 K358 L359 | L351-Y355 HydrophobicContact CD1-CD2 3.87Å; L351-Y355 HydrophobicContact CD1-CE2 3.51Å; L351-Y355 HydrophobicContact CD2-CE2 4.06Å; L351-Y355 HydrophobicContact CG-CD2 3.78Å; L351-Y355 HydrophobicContact CG-CE2 3.63Å; L351-Y355 WeakPolarHBondContact O-CD2 3.47Å; L351-Y355 PolarHBondContact O-N 3.44Å; L352-Y355 PolarHBondContact O-N 3.34Å; Y355-A357 VanDerWaalsContact C-N 3.33Å; Y355-A357 PolarHBondContact O-N 3.43Å; Y355-K358 PolarHBondContact O-N 2.92Å; Y355-K358 VanDerWaalsContact O-N 3.14Å; Y355-L359 WeakPolarHBondContact O-CG 3.43Å; Y355-L359 PolarHBondContact O-N 3.24Å |
| 356 | E | 85.4 | Confident | 84.7 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 31% | 0.313 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 176.3 | -71.8 | 175.5 | 167.1 | 0 | 0 | 111.4 | L352 R353 K358 L359 L360 L366 | L352-E356 WeakPolarHBondContact O-CG 3.45Å; L352-E356 PolarHBondContact O-N 2.95Å; R353-E356 PolarHBondContact O-N 3.15Å; E356-K358 VanDerWaalsContact C-N 3.33Å; E356-K358 PolarHBondContact O-N 3.41Å; E356-L359 PolarHBondContact O-N 3.03Å; E356-L360 WeakPolarHBondContact O-CG 3.31Å; E356-L360 PolarHBondContact O-N 3.42Å; E356-L366 HydrophobicContact CB-CD1 4.1Å; E356-L366 HydrophobicContact CB-CD2 3.86Å; E356-L366 HydrophobicContact CG-CD1 4.2Å; E356-L366 HydrophobicContact CG-CD2 3.94Å |
| 357 | A | 85.9 | Confident | 84.6 | Confident | 58 Ų | 58 | 78.9 Ų | 78.9 | 48% | 0.479 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R353 T354 Y355 A361 | R353-A357 VanDerWaalsContact O-CB 3.32Å; R353-A357 WeakPolarHBondContact O-CB 3.37Å; R353-A357 PolarHBondContact O-N 3.37Å; T354-A357 PolarHBondContact O-N 2.93Å; Y355-A357 VanDerWaalsContact C-N 3.33Å; Y355-A357 PolarHBondContact O-N 3.43Å; A357-A361 WeakPolarHBondContact O-CB 3.21Å; A357-A361 PolarHBondContact O-N 3.39Å |
| 358 | K | 88.5 | Confident | 83.9 | Confident | 126 Ų | 126 | 81.9 Ų | 81.9 | 55% | 0.548 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.1 | -41.9 | 176.9 | -78 | -66.5 | -173.7 | -176.3 | 0 | 112.7 | T354 Y355 E356 L360 A361 F362 | T354-K358 WeakPolarHBondContact O-CB 3.48Å; T354-K358 WeakPolarHBondContact O-CG 3.48Å; T354-K358 PolarHBondContact O-N 3.36Å; Y355-K358 PolarHBondContact O-N 2.92Å; Y355-K358 VanDerWaalsContact O-N 3.14Å; E356-K358 VanDerWaalsContact C-N 3.33Å; E356-K358 PolarHBondContact O-N 3.41Å; K358-L360 VanDerWaalsContact C-N 3.34Å; K358-A361 WeakPolarHBondContact O-CB 3.42Å; K358-A361 PolarHBondContact O-N 2.91Å; K358-F362 WeakPolarHBondContact O-CD2 3.26Å; K358-F362 PolarHBondContact O-N 2.91Å |
| 359 | L | 86.7 | Confident | 83.3 | Confident | 48 Ų | 48 | 80.5 Ų | 80.5 | 25% | 0.251 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 175.9 | -72.1 | 171.4 | 0 | 0 | 0 | 110.6 | Y355 E356 A361 F362 G363 I364 L366 V369 | Y355-L359 WeakPolarHBondContact O-CG 3.43Å; Y355-L359 PolarHBondContact O-N 3.24Å; E356-L359 PolarHBondContact O-N 3.03Å; L359-A361 VanDerWaalsContact C-N 3.32Å; L359-A361 PolarHBondContact O-N 3.3Å; L359-F362 PolarHBondContact O-N 2.89Å; L359-G363 PolarHBondContact O-N 3.47Å; L359-I364 CarbonylContact C-O 3.36Å; L359-I364 HydrophobicContact CB-CB 4.36Å; L359-I364 HydrophobicContact CD2-CB 4.33Å; L359-I364 HydrophobicContact CD2-CD1 3.94Å; L359-I364 HydrophobicContact CD2-CG2 4.31Å; L359-I364 WeakPolarHBondContact O-CB 3.32Å; L359-I364 PolarHBondContact O-N 3.22Å; L359-L366 HydrophobicContact CB-CD2 4.05Å; L359-L366 HydrophobicContact CD1-CD2 4.14Å; L359-V369 HydrophobicContact CD1-CG2 3.83Å |
| 360 | L | 87.4 | Confident | 82.8 | Confident | 100 Ų | 100 | 83.7 Ų | 83.7 | 52% | 0.524 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.2 | -41.9 | 174 | -71.8 | 172.9 | 0 | 0 | 0 | 112.1 | E356 K358 F362 G363 L366 | E356-L360 WeakPolarHBondContact O-CG 3.31Å; E356-L360 PolarHBondContact O-N 3.42Å; K358-L360 VanDerWaalsContact C-N 3.34Å; L360-F362 VanDerWaalsContact C-N 3.29Å; L360-F362 PolarHBondContact O-N 3.25Å; L360-G363 PolarHBondContact O-N 2.8Å; L360-L366 HydrophobicContact CD1-CD1 4.07Å; L360-L366 HydrophobicContact CD1-CG 4.41Å; L360-L366 HydrophobicContact CD2-CD1 4.46Å; L360-L366 HydrophobicContact CD2-CG 4.05Å; L360-L366 HydrophobicContact CG-CD1 4.25Å; L360-L366 HydrophobicContact CG-CD2 4.26Å; L360-L366 HydrophobicContact CG-CG 4.04Å |
| 361 | A | 88.4 | Confident | 82.5 | Confident | 81 Ų | 81 | 88.4 Ų | 88.4 | 67% | 0.669 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.8 | -31 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A357 K358 L359 G363 | A357-A361 WeakPolarHBondContact O-CB 3.21Å; A357-A361 PolarHBondContact O-N 3.39Å; K358-A361 WeakPolarHBondContact O-CB 3.42Å; K358-A361 PolarHBondContact O-N 2.91Å; L359-A361 VanDerWaalsContact C-N 3.32Å; L359-A361 PolarHBondContact O-N 3.3Å; A361-G363 PolarHBondContact O-N 3.49Å |
| 362 | F | 89.1 | Confident | 82.2 | Confident | 161 Ų | 161 | 93.6 Ų | 93.6 | 71% | 0.706 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 5.7 | 172.7 | -73 | -66.4 | 0 | 0 | 0 | 113.4 | K358 L359 L360 I364 | K358-F362 WeakPolarHBondContact O-CD2 3.26Å; K358-F362 PolarHBondContact O-N 2.91Å; L359-F362 PolarHBondContact O-N 2.89Å; L360-F362 VanDerWaalsContact C-N 3.29Å; L360-F362 PolarHBondContact O-N 3.25Å; F362-I364 VanDerWaalsContact C-N 3.29Å; F362-I364 HydrophobicContact CB-CD1 4.36Å; F362-I364 HydrophobicContact CB-CG1 4.38Å; F362-I364 PolarHBondContact O-N 2.91Å |
| 363 | G | 83.9 | Confident | 81.8 | Confident | 62 Ų | 62 | 94.7 Ų | 94.7 | 64% | 0.639 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 19.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L359 L360 A361 P365 | L359-G363 PolarHBondContact O-N 3.47Å; L360-G363 PolarHBondContact O-N 2.8Å; A361-G363 PolarHBondContact O-N 3.49Å; G363-P365 VanDerWaalsContact O-CD 3.31Å; G363-P365 WeakPolarHBondContact O-CD 3.4Å |
| 364 | I | 84.9 | Confident | 81.5 | Confident | 71 Ų | 71 | 98.1 Ų | 98.1 | 36% | 0.364 | 54% | 0.544 | S | S | . | . | trans | -91.7 | 109.7 | 174.7 | -55.4 | 172.3 | 0 | 0 | 0 | 107.7 | L359 F362 | L359-I364 CarbonylContact C-O 3.36Å; L359-I364 HydrophobicContact CB-CB 4.36Å; L359-I364 HydrophobicContact CD2-CB 4.33Å; L359-I364 HydrophobicContact CD2-CD1 3.94Å; L359-I364 HydrophobicContact CD2-CG2 4.31Å; L359-I364 WeakPolarHBondContact O-CB 3.32Å; L359-I364 PolarHBondContact O-N 3.22Å; F362-I364 VanDerWaalsContact C-N 3.29Å; F362-I364 HydrophobicContact CB-CD1 4.36Å; F362-I364 HydrophobicContact CB-CG1 4.38Å; F362-I364 PolarHBondContact O-N 2.91Å | ||
| 365 | P | 82.2 | Confident | 80.9 | Confident | 58 Ų | 58 | 99.7 Ų | 99.7 | 38% | 0.377 | 55% | 0.546 | S | S | . | . | trans | -60.9 | 138.6 | 174.5 | -19.6 | 32.1 | 0 | 0 | 0 | 110.7 | G363 D367 N368 | G363-P365 VanDerWaalsContact O-CD 3.31Å; G363-P365 WeakPolarHBondContact O-CD 3.4Å; P365-D367 PolarHBondContact O-N 2.79Å; P365-D367 VanDerWaalsContact O-N 3.14Å; P365-N368 WeakPolarHBondContact CD-ND2 3.34Å; P365-N368 WeakPolarHBondContact O-CB 3.31Å; P365-N368 PolarHBondContact O-N 3.33Å | ||
| 366 | L | 75.5 | Confident | 80.4 | Confident | 62 Ų | 62 | 94.9 Ų | 94.9 | 33% | 0.325 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -61.7 | -23.1 | -179.8 | -61.1 | 177.3 | 0 | 0 | 0 | 112.9 | E356 L359 L360 N368 V369 | E356-L366 HydrophobicContact CB-CD1 4.1Å; E356-L366 HydrophobicContact CB-CD2 3.86Å; E356-L366 HydrophobicContact CG-CD1 4.2Å; E356-L366 HydrophobicContact CG-CD2 3.94Å; L359-L366 HydrophobicContact CB-CD2 4.05Å; L359-L366 HydrophobicContact CD1-CD2 4.14Å; L360-L366 HydrophobicContact CD1-CD1 4.07Å; L360-L366 HydrophobicContact CD1-CG 4.41Å; L360-L366 HydrophobicContact CD2-CD1 4.46Å; L360-L366 HydrophobicContact CD2-CG 4.05Å; L360-L366 HydrophobicContact CG-CD1 4.25Å; L360-L366 HydrophobicContact CG-CD2 4.26Å; L360-L366 HydrophobicContact CG-CG 4.04Å; L366-N368 PolarHBondContact O-N 2.86Å; L366-V369 WeakPolarHBondContact O-CG2 3.34Å; L366-V369 PolarHBondContact O-N 3.09Å |
| 367 | D | 77.2 | Confident | 79.5 | Confident | 149 Ų | 149 | 96 Ų | 96 | 80% | 0.797 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -68 | -20.1 | 175.1 | -59.5 | -36 | 0 | 0 | 0 | 112.9 | P365 V369 | P365-D367 PolarHBondContact O-N 2.79Å; P365-D367 VanDerWaalsContact O-N 3.14Å; D367-V369 VanDerWaalsContact C-N 3.32Å; D367-V369 PolarHBondContact O-N 2.9Å |
| 368 | N | 69.6 | Low | 78.5 | Confident | 121 Ų | 121 | 94.2 Ų | 94.2 | 65% | 0.647 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -83.6 | -4.5 | -178.1 | -68.3 | 2.2 | 0 | 0 | 0 | 113.5 | P365 L366 G370 | P365-N368 WeakPolarHBondContact CD-ND2 3.34Å; P365-N368 WeakPolarHBondContact O-CB 3.31Å; P365-N368 PolarHBondContact O-N 3.33Å; L366-N368 PolarHBondContact O-N 2.86Å; N368-G370 VanDerWaalsContact C-N 3.33Å |
| 369 | V | 72.3 | Confident | 77.2 | Confident | 47 Ų | 47 | 96.5 Ų | 96.5 | 29% | 0.285 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -83.8 | -10 | -172.5 | -164.5 | 0 | 0 | 0 | 0 | 112 | L359 L366 D367 F371 | L359-V369 HydrophobicContact CD1-CG2 3.83Å; L366-V369 WeakPolarHBondContact O-CG2 3.34Å; L366-V369 PolarHBondContact O-N 3.09Å; D367-V369 VanDerWaalsContact C-N 3.32Å; D367-V369 PolarHBondContact O-N 2.9Å; V369-F371 HydrophobicContact CG1-CD1 4.13Å; V369-F371 HydrophobicContact CG1-CE1 3.57Å; V369-F371 HydrophobicContact CG1-CZ 3.82Å; V369-F371 WeakPolarHBondContact O-CD1 3.4Å; V369-F371 WeakPolarHBondContact O-CE1 3.3Å; V369-F371 PolarHBondContact O-N 3.28Å |
| 370 | G | 73.8 | Confident | 76.1 | Confident | 80 Ų | 80 | 97.2 Ų | 97.2 | 83% | 0.825 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 71.4 | -6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | N368 | N368-G370 VanDerWaalsContact C-N 3.33Š|
| 371 | F | 77.4 | Confident | 74.8 | Confident | 141 Ų | 141 | 95.5 Ų | 95.5 | 62% | 0.618 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -141.2 | 154.5 | 173.6 | 64.6 | -89.7 | 0 | 0 | 0 | 111.1 | V369 P373 | V369-F371 HydrophobicContact CG1-CD1 4.13Å; V369-F371 HydrophobicContact CG1-CE1 3.57Å; V369-F371 HydrophobicContact CG1-CZ 3.82Å; V369-F371 WeakPolarHBondContact O-CD1 3.4Å; V369-F371 WeakPolarHBondContact O-CE1 3.3Å; V369-F371 PolarHBondContact O-N 3.28Å; F371-P373 HydrophobicContact CD2-CG 4.39Å; F371-P373 HydrophobicContact CE2-CG 4.14Å |
| 372 | K | 77.3 | Confident | 73.4 | Confident | 200 Ų | 200 | 96.3 Ų | 96.3 | 87% | 0.87 | 56% | 0.557 | S | S | * | * | trans | -106.2 | 118.2 | 171.1 | -73.1 | -173.2 | 178.9 | -176.7 | 0 | 109.5 | ||||
| 373 | P | 77.6 | Confident | 72.1 | Confident | 53 Ų | 53 | 90.5 Ų | 90.5 | 34% | 0.344 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 140.8 | 173.5 | -19.3 | 30.3 | 0 | 0 | 0 | 111.5 | L352 F371 | L352-P373 HydrophobicContact CD1-CB 3.66Å; L352-P373 HydrophobicContact CD2-CB 3.42Å; L352-P373 VanDerWaalsContact CD2-CB 3.42Å; L352-P373 HydrophobicContact CD2-CG 3.72Å; L352-P373 HydrophobicContact CG-CB 4.15Å; F371-P373 HydrophobicContact CD2-CG 4.39Å; F371-P373 HydrophobicContact CE2-CG 4.14Å |
| 374 | L | 78.8 | Confident | 71.1 | Confident | 145 Ų | 145 | 88.9 Ų | 88.9 | 76% | 0.759 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 118.2 | 170.8 | -174.9 | 69.7 | 0 | 0 | 0 | 108.8 | H348 T376 | H348-L374 PolarHBondContact NE2-O 2.94Å; H348-L374 VanDerWaalsContact NE2-O 3.15Å; L374-T376 PolarHBondContact O-N 3.47Å |
| 375 | E | 73.1 | Confident | 69.8 | Low | 114 Ų | 114 | 92.9 Ų | 92.9 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 126.9 | 169.1 | -67.9 | -169 | 160.6 | 0 | 0 | 109.4 | ||
| 376 | T | 74.1 | Confident | 68.7 | Low | 48 Ų | 48 | 91.7 Ų | 91.7 | 29% | 0.294 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 123 | 176 | 34.9 | 0 | 0 | 0 | 0 | 110.3 | C345 H348 N349 L374 | C345-T376 WeakPolarHBondContact CA-OG1 3.49Å; C345-T376 PolarHBondContact O-OG1 3.2Å; H348-T376 PolarHBondContact CD2-OG1 3.44Å; H348-T376 VanDerWaalsContact CD2-OG1 3.3Å; N349-T376 PolarHBondContact ND2-O 3.46Å; N349-T376 PolarHBondContact OD1-N 2.92Å; N349-T376 VanDerWaalsContact OD1-N 3.09Å; N349-T376 PolarHBondContact OD1-OG1 3.07Å; L374-T376 PolarHBondContact O-N 3.47Å |
| 377 | A | 66.1 | Low | 67.6 | Low | 91 Ų | 91 | 95.2 Ų | 95.2 | 75% | 0.752 | 56% | 0.559 | S | S | * | * | trans | -109.6 | 127.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 378 | V | 65.5 | Low | 66.5 | Low | 21 Ų | 21 | 92.5 Ų | 92.5 | 13% | 0.127 | 56% | 0.557 | C | S | . | * | trans | -81.4 | 119.4 | 172.7 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | A342 C345 G380 Q381 L383 | A342-V378 HydrophobicContact CB-CG2 4.38Å; C345-V378 HydrophobicContact CB-CG2 3.96Å; V378-G380 PolarHBondContact O-N 2.82Å; V378-G380 VanDerWaalsContact O-N 3.15Å; V378-Q381 HydrophobicContact CB-CB 4.29Å; V378-Q381 HydrophobicContact CG1-CB 4.18Å; V378-Q381 HydrophobicContact CG1-CG 4.43Å; V378-Q381 PolarHBondContact O-N 2.74Å; V378-Q381 VanDerWaalsContact O-N 3.13Å; V378-Q381 VanDerWaalsContact O-O 3.06Å; V378-L383 HydrophobicContact CG2-CD1 4.21Å | ||
| 379 | I | 61.3 | Low | 65.9 | Low | 174 Ų | 174 | 87.4 Ų | 87.4 | 89% | 0.892 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 120 | -179 | -60.1 | 173.5 | 0 | 0 | 0 | 109 | ||
| 380 | G | 61.8 | Low | 64.9 | Low | 63 Ų | 63 | 87.1 Ų | 87.1 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | 2.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | V378 | V378-G380 PolarHBondContact O-N 2.82Å; V378-G380 VanDerWaalsContact O-N 3.15Å |
| 381 | Q | 60.5 | Low | 63.6 | Low | 63 Ų | 63 | 89.1 Ų | 89.1 | 29% | 0.294 | 53% | 0.526 | S | S | . | . | trans | -132.6 | 132.3 | 174.7 | -66.1 | -177.5 | -1.7 | 0 | 0 | 111.3 | V378 | V378-Q381 HydrophobicContact CB-CB 4.29Å; V378-Q381 HydrophobicContact CG1-CB 4.18Å; V378-Q381 HydrophobicContact CG1-CG 4.43Å; V378-Q381 PolarHBondContact O-N 2.74Å; V378-Q381 VanDerWaalsContact O-N 3.13Å; V378-Q381 VanDerWaalsContact O-O 3.06Å | ||
| 382 | T | 58.6 | Low | 62 | Low | 99 Ų | 99 | 83.3 Ų | 83.3 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | trans | -89.1 | 115.6 | 170.4 | 38.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 383 | L | 63 | Low | 60 | Low | 39 Ų | 39 | 78.4 Ų | 78.4 | 20% | 0.204 | 49% | 0.493 | C | S | . | . | trans | -78.5 | 130.9 | 177 | -68.5 | 169.6 | 0 | 0 | 0 | 110.5 | A342 C345 K346 V378 | A342-L383 HydrophobicContact CB-CD2 3.97Å; C345-L383 HydrophobicContact CB-CD1 3.74Å; K346-L383 HydrophobicContact CB-CD2 4.32Å; V378-L383 HydrophobicContact CG2-CD1 4.21Å | ||
| 384 | G | 61.8 | Low | 58 | Low | 28 Ų | 28 | 81.2 Ų | 81.2 | 29% | 0.289 | 51% | 0.511 | S | S | . | . | trans | -73.6 | 142.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K346 G386 G389 | K346-G384 WeakPolarHBondContact CE-O 3.4Å; G384-G386 PolarHBondContact O-N 2.9Å; G384-G389 PolarHBondContact N-O 2.81Å | ||
| 385 | Q | 58.8 | Low | 56 | Low | 154 Ų | 154 | 82.7 Ų | 82.7 | 72% | 0.72 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -82.1 | -5 | -173.9 | -62.6 | -172.5 | -23 | 0 | 0 | 115.5 | R353 | R353-Q385 PolarHBondContact NH1-O 2.7Š|
| 386 | G | 58 | Low | 55.1 | Low | 33 Ų | 33 | 81.2 Ų | 81.2 | 34% | 0.34 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -96.7 | 165.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K346 G384 A388 G389 | K346-G386 VanDerWaalsContact CE-O 3.29Å; K346-G386 WeakPolarHBondContact CE-O 3.41Å; K346-G386 PolarHBondContact NZ-O 3.43Å; G384-G386 PolarHBondContact O-N 2.9Å; G386-A388 PolarHBondContact O-N 3.5Å; G386-G389 PolarHBondContact O-N 3.09Å |
| 387 | P | 52.9 | Low | 54.1 | Low | 137 Ų | 137 | 82.9 Ų | 82.9 | 89% | 0.89 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -31.5 | -177 | -24.3 | 32.9 | 0 | 0 | 0 | 114.1 | K346 | K346-P387 PolarHBondContact NZ-O 3.37Å; K346-P387 VanDerWaalsContact NZ-O 3.07Å |
| 388 | A | 53.9 | Low | 53.5 | Low | 91 Ų | 91 | 82.4 Ų | 82.4 | 75% | 0.752 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 8.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G386 L390 | G386-A388 PolarHBondContact O-N 3.5Å; A388-L390 PolarHBondContact O-N 3.26Å |
| 389 | G | 57.1 | Low | 52.8 | Low | 15 Ų | 15 | 86.1 Ų | 86.1 | 16% | 0.155 | 55% | 0.55 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 36.1 | -170 | 0 | 0 | 0 | 0 | 0 | 117.3 | K346 G384 G386 | K346-G389 VanDerWaalsContact CE-C 3.41Å; K346-G389 WeakPolarHBondContact CE-O 3.42Å; G384-G389 PolarHBondContact N-O 2.81Å; G386-G389 PolarHBondContact O-N 3.09Å |
| 390 | L | 52 | Low | 52.2 | Low | 40 Ų | 40 | 80.6 Ų | 80.6 | 21% | 0.209 | 53% | 0.529 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -4.1 | 172.8 | -89 | 165.7 | 0 | 0 | 0 | 114.2 | Q343 K346 A388 G392 | Q343-L390 HydrophobicContact CB-CD1 4.28Å; Q343-L390 HydrophobicContact CB-CD2 3.92Å; Q343-L390 HydrophobicContact CG-CD1 3.86Å; Q343-L390 HydrophobicContact CG-CD2 4.35Å; K346-L390 HydrophobicContact CB-CD2 4.06Å; K346-L390 HydrophobicContact CD-CD2 3.84Å; K346-L390 HydrophobicContact CD-CG 3.67Å; A388-L390 PolarHBondContact O-N 3.26Å; L390-G392 PolarHBondContact O-N 3.42Å; L390-G392 VanDerWaalsContact O-N 3.16Å |
| 391 | V | 46.8 | Very low | 51.6 | Low | 122 Ų | 122 | 81.7 Ų | 81.7 | 74% | 0.739 | 52% | 0.521 | S | S | * | . | trans | -90.1 | 81.7 | 178.6 | -168.9 | 0 | 0 | 0 | 0 | 108.5 | T393 | V391-T393 PolarHBondContact O-N 2.96Š| ||
| 392 | G | 44.1 | Very low | 51 | Low | 20 Ų | 20 | 83.1 Ų | 83.1 | 21% | 0.206 | 54% | 0.537 | C | S | . | . | trans | -70.4 | 105.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | L390 P394 | L390-G392 PolarHBondContact O-N 3.42Å; L390-G392 VanDerWaalsContact O-N 3.16Å; G392-P394 WeakPolarHBondContact O-CD 3.43Å | ||
| 393 | T | 34 | Very low | 50.4 | Low | 97 Ų | 97 | 81.8 Ų | 81.8 | 60% | 0.595 | 53% | 0.531 | S | S | * | . | trans | -62.1 | 124.7 | 161.2 | 46.4 | 0 | 0 | 0 | 0 | 107.6 | V391 T395 | V391-T393 PolarHBondContact O-N 2.96Å; T393-T395 PolarHBondContact O-N 3.34Å | ||
| 394 | P | 35.7 | Very low | 49.3 | Very low | 112 Ų | 112 | 85.4 Ų | 85.4 | 73% | 0.727 | 56% | 0.558 | S | S | * | * | trans | -63 | 128.6 | 167.7 | 21.8 | -22 | 0 | 0 | 0 | 107.7 | G392 | G392-P394 WeakPolarHBondContact O-CD 3.43Š| ||
| 395 | T | 37.2 | Very low | 48.2 | Very low | 176 Ų | 176 | 90.6 Ų | 90.6 | 100% | 1.08 | 58% | 0.583 | S | S | * | * | trans | -65.5 | 0 | 171.8 | 42.8 | 0 | 0 | 0 | 0 | 112.7 | T393 | T393-T395 PolarHBondContact O-N 3.34Š|
Retrieved 395 of 395 residues in 726.8 ms
(Link to these results)