| 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 | 52.7 | Low | 62.1 | Low | 206 Ų | 206 | 104 Ų | 104 | 100% | 1.015 | 56% | 0.563 | S | S | * | * | 0 | -5 | 0 | -65.1 | -62.1 | -98.4 | 0 | 0 | 114.8 | |||||
| 2 | G | 56.8 | Low | 63.1 | Low | 55 Ų | 55 | 104.2 Ų | 104.2 | 57% | 0.567 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -80.8 | -26.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L4 M5 S6 | G2-L4 PolarHBondContact O-N 3.13Å; G2-M5 PolarHBondContact O-N 3.1Å; G2-S6 PolarHBondContact O-N 3.17Å |
| 3 | F | 58.2 | Low | 64.4 | Low | 149 Ų | 149 | 102.5 Ų | 102.5 | 65% | 0.654 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -73.1 | -25.4 | -177.2 | -170.7 | -102.3 | 0 | 0 | 0 | 114 | S6 K7 | F3-S6 PolarHBondContact O-OG 3.29Å; F3-K7 HydrophobicContact CE1-CD 4.32Å; F3-K7 PolarHBondContact O-N 2.99Å |
| 4 | L | 58.5 | Low | 65.5 | Low | 123 Ų | 123 | 103.9 Ų | 103.9 | 64% | 0.644 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -77.8 | -32.6 | 175.6 | -66.3 | 172.8 | 0 | 0 | 0 | 111.6 | G2 S8 | G2-L4 PolarHBondContact O-N 3.13Å; L4-S8 PolarHBondContact O-N 3.03Å; L4-S8 PolarHBondContact O-OG 2.94Å |
| 5 | M | 60.3 | Low | 66.5 | Low | 129 Ų | 129 | 104.8 Ų | 104.8 | 64% | 0.635 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -72.3 | -38.5 | 176.5 | -91.6 | -66.4 | -160.7 | 0 | 0 | 113 | G2 S8 M9 | G2-M5 PolarHBondContact O-N 3.1Å; M5-S8 WeakPolarHBondContact CA-OG 3.42Å; M5-S8 PolarHBondContact O-N 2.93Å; M5-S8 PolarHBondContact O-OG 3.45Å; M5-M9 PolarHBondContact O-N 3.22Å |
| 6 | S | 60.3 | Low | 67.4 | Low | 51 Ų | 51 | 105.3 Ų | 105.3 | 36% | 0.357 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 176.1 | 68.2 | 0 | 0 | 0 | 0 | 111.5 | G2 F3 S8 M9 D10 | G2-S6 PolarHBondContact O-N 3.17Å; F3-S6 PolarHBondContact O-OG 3.29Å; S6-S8 VanDerWaalsContact C-N 3.34Å; S6-S8 PolarHBondContact O-N 3.08Å; S6-M9 PolarHBondContact O-N 3.17Å; S6-D10 PolarHBondContact O-N 3.35Å |
| 7 | K | 62.2 | Low | 68.1 | Low | 132 Ų | 132 | 105.7 Ų | 105.7 | 57% | 0.574 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.4 | -38.6 | 174 | -94 | -170.3 | 173 | -171 | 0 | 113.3 | F3 A11 | F3-K7 HydrophobicContact CE1-CD 4.32Å; F3-K7 PolarHBondContact O-N 2.99Å; K7-A11 VanDerWaalsContact O-CB 3.27Å; K7-A11 WeakPolarHBondContact O-CB 3.29Å; K7-A11 PolarHBondContact O-N 3.18Å |
| 8 | S | 65 | Low | 68.9 | Low | 50 Ų | 50 | 106.9 Ų | 106.9 | 35% | 0.35 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73.3 | -32.5 | 176.6 | 57.3 | 0 | 0 | 0 | 0 | 113 | L4 M5 S6 N12 | L4-S8 PolarHBondContact O-N 3.03Å; L4-S8 PolarHBondContact O-OG 2.94Å; M5-S8 WeakPolarHBondContact CA-OG 3.42Å; M5-S8 PolarHBondContact O-N 2.93Å; M5-S8 PolarHBondContact O-OG 3.45Å; S6-S8 VanDerWaalsContact C-N 3.34Å; S6-S8 PolarHBondContact O-N 3.08Å; S8-N12 WeakPolarHBondContact O-CB 3.24Å; S8-N12 PolarHBondContact O-N 3.28Å |
| 9 | M | 66.8 | Low | 69.7 | Low | 120 Ų | 120 | 109.3 Ų | 109.3 | 59% | 0.591 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.8 | -44.6 | 172.9 | -82 | -180 | 72.6 | 0 | 0 | 111.7 | M5 S6 N12 L13 | M5-M9 PolarHBondContact O-N 3.22Å; S6-M9 PolarHBondContact O-N 3.17Å; M9-N12 PolarHBondContact O-N 2.91Å; M9-L13 WeakPolarHBondContact O-CG 3.35Å; M9-L13 PolarHBondContact O-N 3.29Å |
| 10 | D | 69.6 | Low | 70.4 | Confident | 89 Ų | 89 | 109.6 Ų | 109.6 | 48% | 0.476 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.3 | -41.3 | 177 | -70.3 | -29.9 | 0 | 0 | 0 | 111.6 | S6 N12 L13 Q14 | S6-D10 PolarHBondContact O-N 3.35Å; D10-N12 VanDerWaalsContact C-N 3.32Å; D10-N12 PolarHBondContact O-N 2.99Å; D10-L13 PolarHBondContact O-N 3.4Å; D10-Q14 WeakPolarHBondContact O-CB 3.34Å; D10-Q14 WeakPolarHBondContact O-CG 3.13Å; D10-Q14 PolarHBondContact O-N 3.48Å |
| 11 | A | 72.6 | Confident | 71 | Confident | 40 Ų | 40 | 109.7 Ų | 109.7 | 33% | 0.331 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.7 | -34.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K7 K15 | K7-A11 VanDerWaalsContact O-CB 3.27Å; K7-A11 WeakPolarHBondContact O-CB 3.29Å; K7-A11 PolarHBondContact O-N 3.18Å; A11-K15 WeakPolarHBondContact O-CB 3.19Å; A11-K15 WeakPolarHBondContact O-CG 3.39Å; A11-K15 PolarHBondContact O-N 3.4Å |
| 12 | N | 74.3 | Confident | 72.5 | Confident | 106 Ų | 106 | 105.2 Ų | 105.2 | 57% | 0.567 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -73.6 | -36.9 | 174.5 | -84.3 | -15.9 | 0 | 0 | 0 | 112.5 | S8 M9 D10 Q16 | S8-N12 WeakPolarHBondContact O-CB 3.24Å; S8-N12 PolarHBondContact O-N 3.28Å; M9-N12 PolarHBondContact O-N 2.91Å; D10-N12 VanDerWaalsContact C-N 3.32Å; D10-N12 PolarHBondContact O-N 2.99Å; N12-Q16 VanDerWaalsContact O-CB 3.28Å; N12-Q16 WeakPolarHBondContact O-CB 3.39Å; N12-Q16 PolarHBondContact O-N 3.4Å |
| 13 | L | 80.5 | Confident | 73.9 | Confident | 82 Ų | 82 | 106.7 Ų | 106.7 | 43% | 0.429 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | 174 | -76.1 | 169.1 | 0 | 0 | 0 | 111.6 | M9 D10 Q16 Q17 | M9-L13 WeakPolarHBondContact O-CG 3.35Å; M9-L13 PolarHBondContact O-N 3.29Å; D10-L13 PolarHBondContact O-N 3.4Å; L13-Q16 PolarHBondContact O-N 3.28Å; L13-Q17 WeakPolarHBondContact O-CB 3.38Å; L13-Q17 WeakPolarHBondContact O-CG 3.4Å; L13-Q17 PolarHBondContact O-N 2.81Å |
| 14 | Q | 79.4 | Confident | 75.1 | Confident | 122 Ų | 122 | 102.3 Ų | 102.3 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.6 | -48.1 | 173.2 | -77.6 | 178.7 | -11.1 | 0 | 0 | 111.2 | D10 Q16 Q17 E18 | D10-Q14 WeakPolarHBondContact O-CB 3.34Å; D10-Q14 WeakPolarHBondContact O-CG 3.13Å; D10-Q14 PolarHBondContact O-N 3.48Å; Q14-Q16 VanDerWaalsContact C-N 3.3Å; Q14-Q16 PolarHBondContact O-N 2.91Å; Q14-Q17 PolarHBondContact O-N 3.4Å; Q14-E18 WeakPolarHBondContact O-CG 3.47Å; Q14-E18 PolarHBondContact O-N 3.17Å |
| 15 | K | 80.5 | Confident | 76.2 | Confident | 118 Ų | 118 | 104.2 Ų | 104.2 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 173.2 | -79.1 | 179.1 | 179.5 | -179.8 | 0 | 111.9 | A11 Q17 E18 F19 | A11-K15 WeakPolarHBondContact O-CB 3.19Å; A11-K15 WeakPolarHBondContact O-CG 3.39Å; A11-K15 PolarHBondContact O-N 3.4Å; K15-Q17 PolarHBondContact O-N 2.94Å; K15-E18 PolarHBondContact O-N 3.35Å; K15-F19 HydrophobicContact CB-CD2 4.49Å; K15-F19 WeakPolarHBondContact O-CB 3.27Å; K15-F19 WeakPolarHBondContact O-CD2 3.32Å; K15-F19 PolarHBondContact O-N 2.9Å |
| 16 | Q | 80.2 | Confident | 77.5 | Confident | 112 Ų | 112 | 101 Ų | 101 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 177.5 | -170.4 | 179.4 | 20.5 | 0 | 0 | 111.7 | N12 L13 Q14 F19 M20 | N12-Q16 VanDerWaalsContact O-CB 3.28Å; N12-Q16 WeakPolarHBondContact O-CB 3.39Å; N12-Q16 PolarHBondContact O-N 3.4Å; L13-Q16 PolarHBondContact O-N 3.28Å; Q14-Q16 VanDerWaalsContact C-N 3.3Å; Q14-Q16 PolarHBondContact O-N 2.91Å; Q16-F19 PolarHBondContact O-N 2.85Å; Q16-M20 WeakPolarHBondContact O-CB 3.35Å; Q16-M20 VanDerWaalsContact O-CG 3.28Å; Q16-M20 WeakPolarHBondContact O-CG 3.2Å; Q16-M20 PolarHBondContact O-N 3.04Å |
| 17 | Q | 80.4 | Confident | 78.7 | Confident | 113 Ų | 113 | 103.7 Ų | 103.7 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 173.8 | -73.7 | 176.6 | 6.1 | 0 | 0 | 111.8 | L13 Q14 K15 M20 L21 | L13-Q17 WeakPolarHBondContact O-CB 3.38Å; L13-Q17 WeakPolarHBondContact O-CG 3.4Å; L13-Q17 PolarHBondContact O-N 2.81Å; Q14-Q17 PolarHBondContact O-N 3.4Å; K15-Q17 PolarHBondContact O-N 2.94Å; Q17-M20 HydrophobicContact CG-CE 4.17Å; Q17-M20 PolarHBondContact O-N 3.32Å; Q17-L21 WeakPolarHBondContact O-CB 3.19Å; Q17-L21 VanDerWaalsContact O-CG 3.3Å; Q17-L21 WeakPolarHBondContact O-CG 3.2Å; Q17-L21 PolarHBondContact O-N 2.65Å |
| 18 | E | 82.7 | Confident | 79.7 | Confident | 128 Ų | 128 | 102.1 Ų | 102.1 | 60% | 0.598 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.6 | -42.3 | 174.7 | -73.1 | 177.4 | 174 | 0 | 0 | 111.8 | Q14 K15 L21 H22 | Q14-E18 WeakPolarHBondContact O-CG 3.47Å; Q14-E18 PolarHBondContact O-N 3.17Å; K15-E18 PolarHBondContact O-N 3.35Å; E18-L21 PolarHBondContact O-N 3.33Å; E18-H22 VanDerWaalsContact O-CB 3.27Å; E18-H22 WeakPolarHBondContact O-CB 3.48Å; E18-H22 PolarHBondContact O-N 2.78Å |
| 19 | F | 84.2 | Confident | 80.7 | Confident | 152 Ų | 152 | 104.8 Ų | 104.8 | 67% | 0.667 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -40.6 | 173.5 | -87.2 | -69.4 | 0 | 0 | 0 | 112 | K15 Q16 H22 N23 | K15-F19 HydrophobicContact CB-CD2 4.49Å; K15-F19 WeakPolarHBondContact O-CB 3.27Å; K15-F19 WeakPolarHBondContact O-CD2 3.32Å; K15-F19 PolarHBondContact O-N 2.9Å; Q16-F19 PolarHBondContact O-N 2.85Å; F19-H22 PolarHBondContact O-N 3.45Å; F19-N23 VanDerWaalsContact O-CB 3.25Å; F19-N23 WeakPolarHBondContact O-CB 3.28Å; F19-N23 PolarHBondContact O-N 3.49Å |
| 20 | M | 82.1 | Confident | 81.7 | Confident | 115 Ų | 115 | 107.4 Ų | 107.4 | 57% | 0.567 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.7 | -44.2 | 175.4 | -75.8 | -166.8 | -60.4 | 0 | 0 | 111.7 | Q16 Q17 N23 S24 | Q16-M20 WeakPolarHBondContact O-CB 3.35Å; Q16-M20 VanDerWaalsContact O-CG 3.28Å; Q16-M20 WeakPolarHBondContact O-CG 3.2Å; Q16-M20 PolarHBondContact O-N 3.04Å; Q17-M20 HydrophobicContact CG-CE 4.17Å; Q17-M20 PolarHBondContact O-N 3.32Å; M20-N23 PolarHBondContact O-N 3.15Å; M20-S24 WeakPolarHBondContact O-CB 3.15Å; M20-S24 PolarHBondContact O-N 3.45Å |
| 21 | L | 83.7 | Confident | 82.4 | Confident | 112 Ų | 112 | 108.9 Ų | 108.9 | 59% | 0.586 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.9 | -43.2 | 175.9 | -74.1 | 170.6 | 0 | 0 | 0 | 111.4 | Q17 E18 S24 R25 | Q17-L21 WeakPolarHBondContact O-CB 3.19Å; Q17-L21 VanDerWaalsContact O-CG 3.3Å; Q17-L21 WeakPolarHBondContact O-CG 3.2Å; Q17-L21 PolarHBondContact O-N 2.65Å; E18-L21 PolarHBondContact O-N 3.33Å; L21-S24 PolarHBondContact O-N 3.33Å; L21-R25 WeakPolarHBondContact O-CG 3.26Å; L21-R25 PolarHBondContact O-N 3.41Å |
| 22 | H | 83.8 | Confident | 83.2 | Confident | 111 Ų | 111 | 111.6 Ų | 111.6 | 51% | 0.514 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 176.9 | -166.5 | -11.3 | 0 | 0 | 0 | 111.5 | E18 F19 R25 L26 | E18-H22 VanDerWaalsContact O-CB 3.27Å; E18-H22 WeakPolarHBondContact O-CB 3.48Å; E18-H22 PolarHBondContact O-N 2.78Å; F19-H22 PolarHBondContact O-N 3.45Å; H22-R25 PolarHBondContact O-N 2.83Å; H22-L26 WeakPolarHBondContact O-CB 3.22Å; H22-L26 WeakPolarHBondContact O-CG 3.37Å; H22-L26 PolarHBondContact O-N 3.46Å |
| 23 | N | 86.4 | Confident | 83.8 | Confident | 86 Ų | 86 | 111.3 Ų | 111.3 | 46% | 0.46 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 176.3 | -161.6 | -72 | 0 | 0 | 0 | 111.5 | F19 M20 R25 L26 Q27 | F19-N23 VanDerWaalsContact O-CB 3.25Å; F19-N23 WeakPolarHBondContact O-CB 3.28Å; F19-N23 PolarHBondContact O-N 3.49Å; M20-N23 PolarHBondContact O-N 3.15Å; N23-R25 PolarHBondContact O-N 3.36Å; N23-L26 PolarHBondContact O-N 2.7Å; N23-Q27 WeakPolarHBondContact O-CG 3.48Å; N23-Q27 PolarHBondContact O-N 3.3Å; N23-Q27 PolarHBondContact OD1-NE2 2.96Å |
| 24 | S | 84.1 | Confident | 84.2 | Confident | 58 Ų | 58 | 112.3 Ų | 112.3 | 41% | 0.406 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 174.1 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | M20 L21 Q27 M28 | M20-S24 WeakPolarHBondContact O-CB 3.15Å; M20-S24 PolarHBondContact O-N 3.45Å; L21-S24 PolarHBondContact O-N 3.33Å; S24-Q27 PolarHBondContact O-N 2.7Å; S24-M28 WeakPolarHBondContact O-CG 3.36Å; S24-M28 PolarHBondContact O-N 2.66Å |
| 25 | R | 82.1 | Confident | 84.5 | Confident | 162 Ų | 162 | 112.9 Ų | 112.9 | 61% | 0.611 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.4 | -47.1 | 173.5 | -73.9 | 179.6 | -178.2 | -174.7 | 1.6 | 112.1 | L21 H22 N23 Q27 M28 E29 | L21-R25 WeakPolarHBondContact O-CG 3.26Å; L21-R25 PolarHBondContact O-N 3.41Å; H22-R25 PolarHBondContact O-N 2.83Å; N23-R25 PolarHBondContact O-N 3.36Å; R25-Q27 VanDerWaalsContact C-N 3.31Å; R25-Q27 PolarHBondContact O-N 2.83Å; R25-M28 HydrophobicContact CG-CE 4.33Å; R25-M28 PolarHBondContact O-N 2.89Å; R25-E29 WeakPolarHBondContact O-CG 3.36Å; R25-E29 PolarHBondContact O-N 3.02Å |
| 26 | L | 85.9 | Confident | 84.8 | Confident | 63 Ų | 63 | 111 Ų | 111 | 33% | 0.33 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.6 | -37.8 | 177.5 | -77 | 166.7 | 0 | 0 | 0 | 112.5 | H22 N23 R30 | H22-L26 WeakPolarHBondContact O-CB 3.22Å; H22-L26 WeakPolarHBondContact O-CG 3.37Å; H22-L26 PolarHBondContact O-N 3.46Å; N23-L26 PolarHBondContact O-N 2.7Å; L26-R30 WeakPolarHBondContact O-CB 3.32Å; L26-R30 VanDerWaalsContact O-CG 3.26Å; L26-R30 WeakPolarHBondContact O-CG 3.44Å; L26-R30 PolarHBondContact O-N 3.2Å |
| 27 | Q | 85.8 | Confident | 84.9 | Confident | 107 Ų | 107 | 109.3 Ų | 109.3 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 174.9 | -73.2 | -177.6 | 23.2 | 0 | 0 | 111.4 | N23 S24 R25 R30 Q31 | N23-Q27 WeakPolarHBondContact O-CG 3.48Å; N23-Q27 PolarHBondContact O-N 3.3Å; N23-Q27 PolarHBondContact OD1-NE2 2.96Å; S24-Q27 PolarHBondContact O-N 2.7Å; R25-Q27 VanDerWaalsContact C-N 3.31Å; R25-Q27 PolarHBondContact O-N 2.83Å; Q27-R30 PolarHBondContact O-N 3.42Å; Q27-Q31 WeakPolarHBondContact O-CG 3.44Å; Q27-Q31 PolarHBondContact O-N 3.17Å |
| 28 | M | 84.4 | Confident | 85.1 | Confident | 98 Ų | 98 | 108.1 Ų | 108.1 | 48% | 0.483 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 176.3 | -72.1 | -172.6 | -71.2 | 0 | 0 | 112.1 | S24 R25 R30 Q31 I32 | S24-M28 WeakPolarHBondContact O-CG 3.36Å; S24-M28 PolarHBondContact O-N 2.66Å; R25-M28 HydrophobicContact CG-CE 4.33Å; R25-M28 PolarHBondContact O-N 2.89Å; M28-R30 VanDerWaalsContact C-N 3.3Å; M28-R30 PolarHBondContact O-N 3.14Å; M28-Q31 PolarHBondContact O-N 3.49Å; M28-Q31 VanDerWaalsContact O-N 3.13Å; M28-I32 WeakPolarHBondContact O-CG1 3.43Å; M28-I32 PolarHBondContact O-N 3.49Å |
| 29 | E | 86.1 | Confident | 85.3 | Confident | 107 Ų | 107 | 109.2 Ų | 109.2 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 176 | -74.6 | 172.5 | -173.6 | 0 | 0 | 111.6 | R25 I32 L33 | R25-E29 WeakPolarHBondContact O-CG 3.36Å; R25-E29 PolarHBondContact O-N 3.02Å; E29-I32 PolarHBondContact O-N 3.27Å; E29-L33 WeakPolarHBondContact O-CB 3.48Å; E29-L33 WeakPolarHBondContact O-CG 3.37Å; E29-L33 PolarHBondContact O-N 2.93Å |
| 30 | R | 87.4 | Confident | 85.4 | Confident | 175 Ų | 175 | 107.9 Ų | 107.9 | 66% | 0.66 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.5 | -39.3 | 175.3 | -74.5 | 175.5 | -179 | -173.4 | 1 | 112.5 | L26 Q27 M28 M34 | L26-R30 WeakPolarHBondContact O-CB 3.32Å; L26-R30 VanDerWaalsContact O-CG 3.26Å; L26-R30 WeakPolarHBondContact O-CG 3.44Å; L26-R30 PolarHBondContact O-N 3.2Å; Q27-R30 PolarHBondContact O-N 3.42Å; M28-R30 VanDerWaalsContact C-N 3.3Å; M28-R30 PolarHBondContact O-N 3.14Å; R30-M34 VanDerWaalsContact O-CB 3.32Å; R30-M34 WeakPolarHBondContact O-CB 3.44Å; R30-M34 VanDerWaalsContact O-CG 3.28Å; R30-M34 WeakPolarHBondContact O-CG 3.43Å; R30-M34 PolarHBondContact O-N 3.22Å |
| 31 | Q | 84.6 | Confident | 85.6 | Confident | 120 Ų | 120 | 109.4 Ų | 109.4 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.9 | -43.9 | 176.5 | -76.9 | -179 | 9.8 | 0 | 0 | 111.8 | Q27 M28 M34 Q35 | Q27-Q31 WeakPolarHBondContact O-CG 3.44Å; Q27-Q31 PolarHBondContact O-N 3.17Å; M28-Q31 PolarHBondContact O-N 3.49Å; M28-Q31 VanDerWaalsContact O-N 3.13Å; Q31-M34 PolarHBondContact O-N 3.27Å; Q31-Q35 WeakPolarHBondContact O-CG 3.23Å; Q31-Q35 PolarHBondContact O-N 3.09Å |
| 32 | I | 87.8 | Confident | 85.7 | Confident | 97 Ų | 97 | 110 Ų | 110 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 176.9 | -66.7 | 166.5 | 0 | 0 | 0 | 110.3 | M28 E29 M34 Q35 N36 | M28-I32 WeakPolarHBondContact O-CG1 3.43Å; M28-I32 PolarHBondContact O-N 3.49Å; E29-I32 PolarHBondContact O-N 3.27Å; I32-M34 VanDerWaalsContact C-N 3.33Å; I32-M34 PolarHBondContact O-N 3.23Å; I32-Q35 PolarHBondContact O-N 3.26Å; I32-N36 WeakPolarHBondContact O-CB 3.36Å; I32-N36 PolarHBondContact O-N 2.94Å |
| 33 | L | 88.9 | Confident | 85.7 | Confident | 99 Ų | 99 | 109 Ų | 109 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -43 | 175.6 | -81.2 | 165.5 | 0 | 0 | 0 | 111.8 | E29 N36 Q37 | E29-L33 WeakPolarHBondContact O-CB 3.48Å; E29-L33 WeakPolarHBondContact O-CG 3.37Å; E29-L33 PolarHBondContact O-N 2.93Å; L33-N36 PolarHBondContact O-N 3.49Å; L33-Q37 WeakPolarHBondContact O-CB 3.18Å; L33-Q37 VanDerWaalsContact O-CG 3.28Å; L33-Q37 WeakPolarHBondContact O-CG 3.27Å; L33-Q37 PolarHBondContact O-N 3.34Å |
| 34 | M | 88.3 | Confident | 85.7 | Confident | 104 Ų | 104 | 107.6 Ų | 107.6 | 51% | 0.512 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 175.7 | -82.4 | -68.6 | -63.3 | 0 | 0 | 111.9 | R30 Q31 I32 Q37 M38 | R30-M34 VanDerWaalsContact O-CB 3.32Å; R30-M34 WeakPolarHBondContact O-CB 3.44Å; R30-M34 VanDerWaalsContact O-CG 3.28Å; R30-M34 WeakPolarHBondContact O-CG 3.43Å; R30-M34 PolarHBondContact O-N 3.22Å; Q31-M34 PolarHBondContact O-N 3.27Å; I32-M34 VanDerWaalsContact C-N 3.33Å; I32-M34 PolarHBondContact O-N 3.23Å; M34-Q37 PolarHBondContact O-N 3.45Å; M34-M38 WeakPolarHBondContact O-CB 3.43Å; M34-M38 VanDerWaalsContact O-CG 3.22Å; M34-M38 WeakPolarHBondContact O-CG 3.44Å; M34-M38 PolarHBondContact O-N 2.89Å |
| 35 | Q | 84.4 | Confident | 85.9 | Confident | 134 Ų | 134 | 111.2 Ų | 111.2 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.5 | -44.7 | 176.8 | -73.7 | -179.7 | 8.9 | 0 | 0 | 111.7 | Q31 I32 M38 R39 | Q31-Q35 WeakPolarHBondContact O-CG 3.23Å; Q31-Q35 PolarHBondContact O-N 3.09Å; I32-Q35 PolarHBondContact O-N 3.26Å; Q35-M38 PolarHBondContact O-N 3.03Å; Q35-R39 WeakPolarHBondContact O-CB 3.28Å; Q35-R39 PolarHBondContact O-N 3.42Å |
| 36 | N | 87.1 | Confident | 85.9 | Confident | 77 Ų | 77 | 109.7 Ų | 109.7 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -46 | 177.4 | -74.1 | -15.1 | 0 | 0 | 0 | 111.5 | I32 L33 M38 R39 E40 | I32-N36 WeakPolarHBondContact O-CB 3.36Å; I32-N36 PolarHBondContact O-N 2.94Å; L33-N36 PolarHBondContact O-N 3.49Å; N36-M38 VanDerWaalsContact C-N 3.34Å; N36-M38 PolarHBondContact O-N 2.95Å; N36-R39 PolarHBondContact O-N 3.31Å; N36-E40 WeakPolarHBondContact O-CB 3.42Å; N36-E40 WeakPolarHBondContact O-CG 3.47Å; N36-E40 PolarHBondContact O-N 3.43Å |
| 37 | Q | 83.4 | Confident | 85.8 | Confident | 77 Ų | 77 | 109.5 Ų | 109.5 | 36% | 0.36 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 177 | -74.7 | -178.3 | 6.3 | 0 | 0 | 112.3 | L33 M34 R41 | L33-Q37 WeakPolarHBondContact O-CB 3.18Å; L33-Q37 VanDerWaalsContact O-CG 3.28Å; L33-Q37 WeakPolarHBondContact O-CG 3.27Å; L33-Q37 PolarHBondContact O-N 3.34Å; M34-Q37 PolarHBondContact O-N 3.45Å; Q37-R41 VanDerWaalsContact O-CB 3.25Å; Q37-R41 WeakPolarHBondContact O-CB 3.45Å; Q37-R41 WeakPolarHBondContact O-CG 3.43Å; Q37-R41 PolarHBondContact O-N 2.9Å |
| 38 | M | 84.4 | Confident | 85.8 | Confident | 88 Ų | 88 | 106.6 Ų | 106.6 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 175.5 | -73.7 | -64.1 | -67.7 | 0 | 0 | 111.3 | M34 Q35 N36 R41 Q42 | M34-M38 WeakPolarHBondContact O-CB 3.43Å; M34-M38 VanDerWaalsContact O-CG 3.22Å; M34-M38 WeakPolarHBondContact O-CG 3.44Å; M34-M38 PolarHBondContact O-N 2.89Å; Q35-M38 PolarHBondContact O-N 3.03Å; N36-M38 VanDerWaalsContact C-N 3.34Å; N36-M38 PolarHBondContact O-N 2.95Å; M38-R41 PolarHBondContact O-N 2.77Å; M38-Q42 WeakPolarHBondContact O-CB 3.3Å; M38-Q42 VanDerWaalsContact O-CG 3.25Å; M38-Q42 WeakPolarHBondContact O-CG 3.38Å; M38-Q42 PolarHBondContact O-N 2.95Å |
| 39 | R | 86.9 | Confident | 85.8 | Confident | 151 Ų | 151 | 109.8 Ų | 109.8 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -46.6 | 176.1 | -172.3 | -173 | 177.3 | 176.2 | 1.2 | 111.6 | Q35 N36 Q42 M43 | Q35-R39 WeakPolarHBondContact O-CB 3.28Å; Q35-R39 PolarHBondContact O-N 3.42Å; N36-R39 PolarHBondContact O-N 3.31Å; R39-Q42 PolarHBondContact O-N 2.98Å; R39-M43 HydrophobicContact CG-CE 3.85Å; R39-M43 PolarHBondContact O-N 2.84Å |
| 40 | E | 85.6 | Confident | 85.7 | Confident | 125 Ų | 125 | 105.4 Ų | 105.4 | 58% | 0.584 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.4 | -44.7 | 176 | -75 | 175.2 | -177.4 | 0 | 0 | 111.5 | N36 M43 A44 | N36-E40 WeakPolarHBondContact O-CB 3.42Å; N36-E40 WeakPolarHBondContact O-CG 3.47Å; N36-E40 PolarHBondContact O-N 3.43Å; E40-M43 PolarHBondContact O-N 3.23Å; E40-A44 VanDerWaalsContact O-CB 3.31Å; E40-A44 WeakPolarHBondContact O-CB 3.41Å; E40-A44 PolarHBondContact O-N 3.08Å |
| 41 | R | 86.6 | Confident | 85.6 | Confident | 146 Ų | 146 | 102.6 Ų | 102.6 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.1 | -40.7 | 176.6 | -75.1 | 173 | -178.4 | 159.8 | 4.5 | 112.2 | Q37 M38 A44 M45 | Q37-R41 VanDerWaalsContact O-CB 3.25Å; Q37-R41 WeakPolarHBondContact O-CB 3.45Å; Q37-R41 WeakPolarHBondContact O-CG 3.43Å; Q37-R41 PolarHBondContact O-N 2.9Å; M38-R41 PolarHBondContact O-N 2.77Å; R41-A44 PolarHBondContact O-N 3.01Å; R41-M45 WeakPolarHBondContact O-CB 3.49Å; R41-M45 VanDerWaalsContact O-CG 3.25Å; R41-M45 WeakPolarHBondContact O-CG 3.36Å; R41-M45 PolarHBondContact O-N 3.36Å |
| 42 | Q | 85.7 | Confident | 85.7 | Confident | 126 Ų | 126 | 100.7 Ų | 100.7 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64 | -44.8 | 175.6 | -76.6 | 175.4 | -1.6 | 0 | 0 | 111.5 | M38 R39 M45 Q46 | M38-Q42 WeakPolarHBondContact O-CB 3.3Å; M38-Q42 VanDerWaalsContact O-CG 3.25Å; M38-Q42 WeakPolarHBondContact O-CG 3.38Å; M38-Q42 PolarHBondContact O-N 2.95Å; R39-Q42 PolarHBondContact O-N 2.98Å; Q42-M45 PolarHBondContact O-N 3.4Å; Q42-Q46 PolarHBondContact O-N 2.91Å |
| 43 | M | 84.8 | Confident | 85.6 | Confident | 88 Ų | 88 | 99.6 Ų | 99.6 | 43% | 0.433 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 174.7 | -76.9 | -166.4 | -85.5 | 0 | 0 | 111.9 | R39 E40 M45 Q46 I47 | R39-M43 HydrophobicContact CG-CE 3.85Å; R39-M43 PolarHBondContact O-N 2.84Å; E40-M43 PolarHBondContact O-N 3.23Å; M43-M45 VanDerWaalsContact C-N 3.34Å; M43-M45 PolarHBondContact O-N 3.27Å; M43-Q46 PolarHBondContact O-N 3.49Å; M43-I47 WeakPolarHBondContact O-CG1 3.48Å; M43-I47 PolarHBondContact O-N 2.89Å |
| 44 | A | 85.4 | Confident | 85.6 | Confident | 58 Ų | 58 | 95.6 Ų | 95.6 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | E40 R41 I47 A48 | E40-A44 VanDerWaalsContact O-CB 3.31Å; E40-A44 WeakPolarHBondContact O-CB 3.41Å; E40-A44 PolarHBondContact O-N 3.08Å; R41-A44 PolarHBondContact O-N 3.01Å; A44-I47 PolarHBondContact O-N 3.47Å; A44-A48 VanDerWaalsContact O-CB 3.3Å; A44-A48 WeakPolarHBondContact O-CB 3.44Å; A44-A48 PolarHBondContact O-N 2.99Å |
| 45 | M | 87.7 | Confident | 85.6 | Confident | 133 Ų | 133 | 96.7 Ų | 96.7 | 66% | 0.655 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.3 | -41.4 | 175 | -78.3 | -64.6 | -64.5 | 0 | 0 | 112.2 | R41 Q42 M43 I47 A48 W49 | R41-M45 WeakPolarHBondContact O-CB 3.49Å; R41-M45 VanDerWaalsContact O-CG 3.25Å; R41-M45 WeakPolarHBondContact O-CG 3.36Å; R41-M45 PolarHBondContact O-N 3.36Å; Q42-M45 PolarHBondContact O-N 3.4Å; M43-M45 VanDerWaalsContact C-N 3.34Å; M43-M45 PolarHBondContact O-N 3.27Å; M45-I47 VanDerWaalsContact C-N 3.35Å; M45-I47 PolarHBondContact O-N 3.44Å; M45-A48 PolarHBondContact O-N 3.47Å; M45-W49 VanDerWaalsContact O-CB 3.27Å; M45-W49 WeakPolarHBondContact O-CB 3.1Å; M45-W49 PolarHBondContact O-N 2.89Å |
| 46 | Q | 82.4 | Confident | 85.8 | Confident | 131 Ų | 131 | 98.1 Ų | 98.1 | 61% | 0.612 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63 | -42.1 | 177.2 | -170.6 | -178.9 | 13.6 | 0 | 0 | 111.7 | Q42 M43 S50 | Q42-Q46 PolarHBondContact O-N 2.91Å; M43-Q46 PolarHBondContact O-N 3.49Å; Q46-S50 WeakPolarHBondContact O-CB 3.35Å; Q46-S50 PolarHBondContact O-N 3.47Å; Q46-S50 PolarHBondContact O-OG 3.04Å |
| 47 | I | 83.3 | Confident | 85.9 | Confident | 59 Ų | 59 | 95.7 Ų | 95.7 | 30% | 0.303 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.4 | -45 | 175.8 | -65.6 | 167.3 | 0 | 0 | 0 | 110.5 | M43 A44 M45 S50 R51 I103 | M43-I47 WeakPolarHBondContact O-CG1 3.48Å; M43-I47 PolarHBondContact O-N 2.89Å; A44-I47 PolarHBondContact O-N 3.47Å; M45-I47 VanDerWaalsContact C-N 3.35Å; M45-I47 PolarHBondContact O-N 3.44Å; I47-S50 PolarHBondContact O-N 3.19Å; I47-R51 WeakPolarHBondContact O-CG 3.26Å; I47-R51 PolarHBondContact O-N 3.49Å; I47-I103 HydrophobicContact CD1-CD1 4.27Å; I47-I103 HydrophobicContact CG1-CD1 3.97Å |
| 48 | A | 86.6 | Confident | 86.2 | Confident | 46 Ų | 46 | 92.9 Ų | 92.9 | 38% | 0.38 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A44 M45 S50 R51 E52 | A44-A48 VanDerWaalsContact O-CB 3.3Å; A44-A48 WeakPolarHBondContact O-CB 3.44Å; A44-A48 PolarHBondContact O-N 2.99Å; M45-A48 PolarHBondContact O-N 3.47Å; A48-S50 VanDerWaalsContact C-N 3.32Å; A48-S50 PolarHBondContact O-N 2.96Å; A48-R51 WeakPolarHBondContact O-CB 3.38Å; A48-R51 PolarHBondContact O-N 2.88Å; A48-E52 PolarHBondContact O-N 3.47Å |
| 49 | W | 84.3 | Confident | 86.5 | Confident | 164 Ų | 164 | 92.1 Ų | 92.1 | 62% | 0.621 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.4 | -44.8 | 174.6 | 179.4 | 81.5 | 0 | 0 | 0 | 111.4 | M45 R51 E52 F53 | M45-W49 VanDerWaalsContact O-CB 3.27Å; M45-W49 WeakPolarHBondContact O-CB 3.1Å; M45-W49 PolarHBondContact O-N 2.89Å; W49-R51 VanDerWaalsContact C-N 3.31Å; W49-R51 PolarHBondContact O-N 3.37Å; W49-E52 PolarHBondContact O-N 3.15Å; W49-F53 WeakPolarHBondContact O-CB 3.39Å; W49-F53 PolarHBondContact O-N 3Å |
| 50 | S | 83.6 | Confident | 86.6 | Confident | 15 Ų | 15 | 90.5 Ų | 90.5 | 11% | 0.105 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 178.9 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | Q46 I47 A48 L54 Q94 V98 | Q46-S50 WeakPolarHBondContact O-CB 3.35Å; Q46-S50 PolarHBondContact O-N 3.47Å; Q46-S50 PolarHBondContact O-OG 3.04Å; I47-S50 PolarHBondContact O-N 3.19Å; A48-S50 VanDerWaalsContact C-N 3.32Å; A48-S50 PolarHBondContact O-N 2.96Å; S50-L54 PolarHBondContact O-N 3.23Å; S50-L54 VanDerWaalsContact O-N 3.11Å; S50-Q94 VanDerWaalsContact CA-NE2 3.27Å; S50-Q94 VanDerWaalsContact CB-NE2 3.31Å; S50-Q94 PolarHBondContact O-NE2 3.35Å; S50-Q94 VanDerWaalsContact O-NE2 3.09Å; S50-V98 VanDerWaalsContact C-CG2 3.47Å; S50-V98 VanDerWaalsContact CB-CG2 3.47Å; S50-V98 WeakPolarHBondContact O-CG2 3.4Å |
| 51 | R | 85.1 | Confident | 86.8 | Confident | 117 Ų | 117 | 86.4 Ų | 86.4 | 44% | 0.442 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.8 | -46 | 173.5 | -75.8 | 175 | -178.4 | -145.5 | -0.2 | 112.2 | I47 A48 W49 L54 K55 V98 | I47-R51 WeakPolarHBondContact O-CG 3.26Å; I47-R51 PolarHBondContact O-N 3.49Å; A48-R51 WeakPolarHBondContact O-CB 3.38Å; A48-R51 PolarHBondContact O-N 2.88Å; W49-R51 VanDerWaalsContact C-N 3.31Å; W49-R51 PolarHBondContact O-N 3.37Å; R51-L54 PolarHBondContact O-N 3.13Å; R51-K55 PolarHBondContact O-N 3.09Å; R51-V98 HydrophobicContact CB-CG1 4.34Å; R51-V98 HydrophobicContact CG-CG1 3.32Å |
| 52 | E | 87.2 | Confident | 87 | Confident | 79 Ų | 79 | 81.7 Ų | 81.7 | 37% | 0.369 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 177.1 | -76.5 | -57.7 | 137.6 | 0 | 0 | 111.1 | A48 W49 L54 K55 Y56 | A48-E52 PolarHBondContact O-N 3.47Å; W49-E52 PolarHBondContact O-N 3.15Å; E52-L54 VanDerWaalsContact C-N 3.28Å; E52-L54 PolarHBondContact O-N 2.8Å; E52-K55 WeakPolarHBondContact O-CB 3.46Å; E52-K55 PolarHBondContact O-N 3.21Å; E52-K55 IonicContact OE1-NZ 3.12Å; E52-K55 PolarHBondContact OE1-NZ 2.66Å; E52-K55 IonicContact OE2-NZ 2.73Å; E52-Y56 VanDerWaalsContact O-CD2 3.24Å; E52-Y56 WeakPolarHBondContact O-CD2 3.4Å; E52-Y56 PolarHBondContact O-N 3.36Å |
| 53 | F | 86.9 | Confident | 87.4 | Confident | 74 Ų | 74 | 80.8 Ų | 80.8 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -55.1 | -43.9 | 176.7 | 179.7 | -95.6 | 0 | 0 | 0 | 111.9 | W49 K55 Y56 F57 Q94 | W49-F53 WeakPolarHBondContact O-CB 3.39Å; W49-F53 PolarHBondContact O-N 3Å; F53-K55 VanDerWaalsContact C-N 3.31Å; F53-K55 PolarHBondContact O-N 3.34Å; F53-Y56 PolarHBondContact O-N 2.86Å; F53-F57 HydrophobicContact CD1-CB 4.2Å; F53-F57 HydrophobicContact CE1-CB 3.85Å; F53-F57 HydrophobicContact CE1-CD1 4.35Å; F53-F57 HydrophobicContact CE1-CD2 4.34Å; F53-F57 AromaticContact CE1-CG 3.93Å; F53-F57 HydrophobicContact CE1-CG 3.93Å; F53-F57 HydrophobicContact CZ-CB 4.03Å; F53-F57 AromaticContact CZ-CD2 3.95Å; F53-F57 HydrophobicContact CZ-CD2 3.95Å; F53-F57 HydrophobicContact CZ-CG 4Å; F53-F57 WeakPolarHBondContact O-CB 3.42Å; F53-F57 PolarHBondContact O-N 3.49Å; F53-Q94 HydrophobicContact CD1-CG 3.83Å; F53-Q94 HydrophobicContact CE1-CG 4.29Å |
| 54 | L | 87.9 | Confident | 87.6 | Confident | 16 Ų | 16 | 77.6 Ų | 77.6 | 8% | 0.084 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.1 | -36.4 | 178.5 | -176 | 71.1 | 0 | 0 | 0 | 112.9 | S50 R51 E52 G58 F91 Q94 M95 Y99 | S50-L54 PolarHBondContact O-N 3.23Å; S50-L54 VanDerWaalsContact O-N 3.11Å; R51-L54 PolarHBondContact O-N 3.13Å; E52-L54 VanDerWaalsContact C-N 3.28Å; E52-L54 PolarHBondContact O-N 2.8Å; L54-G58 WeakPolarHBondContact O-CA 3.29Å; L54-G58 PolarHBondContact O-N 3.32Å; L54-F91 HydrophobicContact CD1-CD2 3.96Å; L54-F91 HydrophobicContact CD1-CE2 3.55Å; L54-F91 HydrophobicContact CD1-CZ 4.07Å; L54-F91 HydrophobicContact CG-CE2 4.46Å; L54-Q94 HydrophobicContact CB-CG 4.19Å; L54-Q94 HydrophobicContact CD1-CB 4.15Å; L54-Q94 HydrophobicContact CD1-CG 4.01Å; L54-M95 HydrophobicContact CD1-CG 3.84Å; L54-M95 HydrophobicContact CD1-SD 3.67Å; L54-M95 HydrophobicContact CD2-CG 4.46Å; L54-M95 HydrophobicContact CD2-SD 3.39Å; L54-M95 WeakPolarHBondContact CD2-SD 3.4Å; L54-M95 HydrophobicContact CG-SD 4.03Å; L54-Y99 HydrophobicContact CD2-CD2 4.29Å; L54-Y99 HydrophobicContact CD2-CE2 3.76Å |
| 55 | K | 88.3 | Confident | 87.8 | Confident | 126 Ų | 126 | 76.5 Ų | 76.5 | 55% | 0.548 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.7 | -49.2 | 177.6 | -66.2 | 172.3 | -173.4 | 171.8 | 0 | 111.5 | R51 E52 F53 S59 | R51-K55 PolarHBondContact O-N 3.09Å; E52-K55 WeakPolarHBondContact O-CB 3.46Å; E52-K55 PolarHBondContact O-N 3.21Å; E52-K55 IonicContact OE1-NZ 3.12Å; E52-K55 PolarHBondContact OE1-NZ 2.66Å; E52-K55 IonicContact OE2-NZ 2.73Å; F53-K55 VanDerWaalsContact C-N 3.31Å; F53-K55 PolarHBondContact O-N 3.34Å; K55-S59 PolarHBondContact O-N 3.45Å; K55-S59 PolarHBondContact O-OG 3.41Å |
| 56 | Y | 89.2 | Confident | 88 | Confident | 164 Ų | 164 | 76.2 Ų | 76.2 | 64% | 0.643 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -71.7 | -41.7 | -179.7 | -69.2 | -74.9 | 0 | 0 | 0 | 112.2 | E52 F53 G58 S59 F60 | E52-Y56 VanDerWaalsContact O-CD2 3.24Å; E52-Y56 WeakPolarHBondContact O-CD2 3.4Å; E52-Y56 PolarHBondContact O-N 3.36Å; F53-Y56 PolarHBondContact O-N 2.86Å; Y56-G58 VanDerWaalsContact C-N 3.35Å; Y56-S59 PolarHBondContact O-N 2.91Å; Y56-S59 PolarHBondContact O-OG 3.36Å; Y56-F60 WeakPolarHBondContact O-CB 3.14Å; Y56-F60 PolarHBondContact O-N 3.17Å |
| 57 | F | 89.4 | Confident | 88.3 | Confident | 27 Ų | 27 | 72.3 Ų | 72.3 | 12% | 0.118 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.8 | -35.8 | 177.7 | -172.4 | -105.2 | 0 | 0 | 0 | 111.5 | F53 F60 F61 L87 V90 F91 | F53-F57 HydrophobicContact CD1-CB 4.2Å; F53-F57 HydrophobicContact CE1-CB 3.85Å; F53-F57 HydrophobicContact CE1-CD1 4.35Å; F53-F57 HydrophobicContact CE1-CD2 4.34Å; F53-F57 AromaticContact CE1-CG 3.93Å; F53-F57 HydrophobicContact CE1-CG 3.93Å; F53-F57 HydrophobicContact CZ-CB 4.03Å; F53-F57 AromaticContact CZ-CD2 3.95Å; F53-F57 HydrophobicContact CZ-CD2 3.95Å; F53-F57 HydrophobicContact CZ-CG 4Å; F53-F57 WeakPolarHBondContact O-CB 3.42Å; F53-F57 PolarHBondContact O-N 3.49Å; F57-F60 HydrophobicContact CD2-CD1 4.25Å; F57-F60 HydrophobicContact CE2-CD1 4.19Å; F57-F60 PolarHBondContact O-N 3.2Å; F57-F61 WeakPolarHBondContact O-CB 3.43Å; F57-F61 PolarHBondContact O-N 2.94Å; F57-L87 HydrophobicContact CE2-CD2 4.32Å; F57-L87 HydrophobicContact CZ-CD2 4.04Å; F57-V90 HydrophobicContact CE1-CB 4.46Å; F57-V90 HydrophobicContact CE1-CG1 4.19Å; F57-V90 HydrophobicContact CZ-CB 4.36Å; F57-V90 HydrophobicContact CZ-CG1 4.13Å; F57-F91 HydrophobicContact CD1-CB 4.43Å; F57-F91 AromaticContact CD1-CD2 3.93Å; F57-F91 HydrophobicContact CD1-CD2 3.93Å; F57-F91 HydrophobicContact CE1-CB 3.95Å; F57-F91 HydrophobicContact CE1-CD2 4.24Å |
| 58 | G | 88.1 | Confident | 88.6 | Confident | 18 Ų | 18 | 71.5 Ų | 71.5 | 19% | 0.186 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | L54 Y56 F61 A62 | L54-G58 WeakPolarHBondContact O-CA 3.29Å; L54-G58 PolarHBondContact O-N 3.32Å; Y56-G58 VanDerWaalsContact C-N 3.35Å; G58-F61 PolarHBondContact O-N 3.49Å; G58-A62 WeakPolarHBondContact O-CB 3.4Å; G58-A62 PolarHBondContact O-N 3.18Å |
| 59 | S | 91.1 | Very high | 88.6 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67 | -42.5 | 175.4 | 64 | 0 | 0 | 0 | 0 | 111.8 | K55 Y56 A62 V63 | K55-S59 PolarHBondContact O-N 3.45Å; K55-S59 PolarHBondContact O-OG 3.41Å; Y56-S59 PolarHBondContact O-N 2.91Å; Y56-S59 PolarHBondContact O-OG 3.36Å; S59-A62 PolarHBondContact O-N 2.97Å; S59-V63 WeakPolarHBondContact O-CG2 3.33Å; S59-V63 PolarHBondContact O-N 3.29Å; S59-V63 VanDerWaalsContact O-N 3.08Å |
| 60 | F | 90.1 | Very high | 88.9 | Confident | 116 Ų | 116 | 67 Ų | 67 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.8 | -48.4 | 172.3 | 170.5 | -100.8 | 0 | 0 | 0 | 111.9 | Y56 F57 A62 V63 A64 | Y56-F60 WeakPolarHBondContact O-CB 3.14Å; Y56-F60 PolarHBondContact O-N 3.17Å; F57-F60 HydrophobicContact CD2-CD1 4.25Å; F57-F60 HydrophobicContact CE2-CD1 4.19Å; F57-F60 PolarHBondContact O-N 3.2Å; F60-A62 VanDerWaalsContact C-N 3.31Å; F60-A62 PolarHBondContact O-N 2.87Å; F60-V63 PolarHBondContact O-N 2.65Å; F60-A64 HydrophobicContact CE1-CB 4.5Å; F60-A64 HydrophobicContact CZ-CB 4.42Å; F60-A64 VanDerWaalsContact O-CB 3.26Å; F60-A64 WeakPolarHBondContact O-CB 3.1Å; F60-A64 PolarHBondContact O-N 2.85Å |
| 61 | F | 90 | Very high | 89 | Confident | 39 Ų | 39 | 67 Ų | 67 | 17% | 0.171 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.4 | -41 | 179.4 | 179.6 | -102.5 | 0 | 0 | 0 | 111.4 | F57 G58 T65 I84 L87 | F57-F61 WeakPolarHBondContact O-CB 3.43Å; F57-F61 PolarHBondContact O-N 2.94Å; G58-F61 PolarHBondContact O-N 3.49Å; F61-T65 WeakPolarHBondContact O-CB 3.42Å; F61-T65 PolarHBondContact O-N 3.23Å; F61-T65 PolarHBondContact O-OG1 3.32Å; F61-I84 HydrophobicContact CE2-CG2 4.14Å; F61-I84 HydrophobicContact CZ-CG2 4.02Å; F61-L87 HydrophobicContact CD2-CB 3.87Å; F61-L87 HydrophobicContact CE2-CB 3.8Å |
| 62 | A | 90.6 | Very high | 89.2 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.7 | -49.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G58 S59 F60 T65 L66 | G58-A62 WeakPolarHBondContact O-CB 3.4Å; G58-A62 PolarHBondContact O-N 3.18Å; S59-A62 PolarHBondContact O-N 2.97Å; F60-A62 VanDerWaalsContact C-N 3.31Å; F60-A62 PolarHBondContact O-N 2.87Å; A62-T65 PolarHBondContact O-N 3.02Å; A62-L66 WeakPolarHBondContact O-CB 3.36Å; A62-L66 VanDerWaalsContact O-CG 3.27Å; A62-L66 WeakPolarHBondContact O-CG 3.5Å; A62-L66 PolarHBondContact O-N 3.48Å |
| 63 | V | 92.8 | Very high | 89.3 | Confident | 107 Ų | 107 | 64.2 Ų | 64.2 | 65% | 0.648 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.1 | -43.7 | 178.9 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | S59 F60 L66 G67 | S59-V63 WeakPolarHBondContact O-CG2 3.33Å; S59-V63 PolarHBondContact O-N 3.29Å; S59-V63 VanDerWaalsContact O-N 3.08Å; F60-V63 PolarHBondContact O-N 2.65Å; V63-L66 PolarHBondContact O-N 3.38Å; V63-G67 PolarHBondContact O-N 3.49Å |
| 64 | A | 90.4 | Very high | 89.4 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F60 G67 L68 | F60-A64 HydrophobicContact CE1-CB 4.5Å; F60-A64 HydrophobicContact CZ-CB 4.42Å; F60-A64 VanDerWaalsContact O-CB 3.26Å; F60-A64 WeakPolarHBondContact O-CB 3.1Å; F60-A64 PolarHBondContact O-N 2.85Å; A64-G67 PolarHBondContact O-N 3.4Å; A64-L68 VanDerWaalsContact O-CB 3.28Å; A64-L68 WeakPolarHBondContact O-CB 3.27Å; A64-L68 WeakPolarHBondContact O-CD1 3.45Å; A64-L68 WeakPolarHBondContact O-CG 3.24Å; A64-L68 PolarHBondContact O-N 2.77Å |
| 65 | T | 89 | Confident | 89.3 | Confident | 35 Ų | 35 | 77.5 Ų | 77.5 | 22% | 0.215 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 178.6 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | F61 A62 T69 I84 | F61-T65 WeakPolarHBondContact O-CB 3.42Å; F61-T65 PolarHBondContact O-N 3.23Å; F61-T65 PolarHBondContact O-OG1 3.32Å; A62-T65 PolarHBondContact O-N 3.02Å; T65-T69 WeakPolarHBondContact O-CB 3.44Å; T65-T69 PolarHBondContact O-N 2.89Å; T65-T69 PolarHBondContact O-OG1 3.38Å; T65-I84 HydrophobicContact CG2-CD1 4.22Å; T65-I84 HydrophobicContact CG2-CG2 4.45Å |
| 66 | L | 90.9 | Very high | 89.1 | Confident | 127 Ų | 127 | 80.5 Ų | 80.5 | 67% | 0.665 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.1 | -45.9 | 176.1 | -70.6 | 174.1 | 0 | 0 | 0 | 111.9 | A62 V63 T69 A70 | A62-L66 WeakPolarHBondContact O-CB 3.36Å; A62-L66 VanDerWaalsContact O-CG 3.27Å; A62-L66 WeakPolarHBondContact O-CG 3.5Å; A62-L66 PolarHBondContact O-N 3.48Å; V63-L66 PolarHBondContact O-N 3.38Å; L66-T69 PolarHBondContact O-N 2.91Å; L66-A70 WeakPolarHBondContact O-CB 3.33Å; L66-A70 PolarHBondContact O-N 3.25Å |
| 67 | G | 90 | Very high | 89 | Confident | 48 Ų | 48 | 79.3 Ų | 79.3 | 50% | 0.495 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V63 A64 G71 | V63-G67 PolarHBondContact O-N 3.49Å; A64-G67 PolarHBondContact O-N 3.4Å; G67-G71 PolarHBondContact O-N 2.9Å |
| 68 | L | 88.9 | Confident | 88.5 | Confident | 42 Ų | 42 | 83 Ų | 83 | 22% | 0.22 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.8 | -38.2 | 177.5 | -69.9 | 166.9 | 0 | 0 | 0 | 111.7 | A64 G71 A72 P83 I84 | A64-L68 VanDerWaalsContact O-CB 3.28Å; A64-L68 WeakPolarHBondContact O-CB 3.27Å; A64-L68 WeakPolarHBondContact O-CD1 3.45Å; A64-L68 WeakPolarHBondContact O-CG 3.24Å; A64-L68 PolarHBondContact O-N 2.77Å; L68-G71 PolarHBondContact O-N 3.32Å; L68-A72 VanDerWaalsContact O-CB 3.24Å; L68-A72 WeakPolarHBondContact O-CB 3.3Å; L68-A72 PolarHBondContact O-N 3.45Å; L68-P83 HydrophobicContact CD1-CG 3.88Å; L68-P83 HydrophobicContact CD2-CG 4.37Å; L68-I84 HydrophobicContact CB-CD1 4.11Å; L68-I84 HydrophobicContact CB-CG1 4.45Å; L68-I84 HydrophobicContact CD1-CD1 4.4Å; L68-I84 HydrophobicContact CD1-CG1 3.85Å |
| 69 | T | 87.3 | Confident | 88.4 | Confident | 54 Ų | 54 | 84.9 Ų | 84.9 | 33% | 0.331 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.9 | -47.9 | 176.3 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | T65 L66 G71 A72 I73 | T65-T69 WeakPolarHBondContact O-CB 3.44Å; T65-T69 PolarHBondContact O-N 2.89Å; T65-T69 PolarHBondContact O-OG1 3.38Å; L66-T69 PolarHBondContact O-N 2.91Å; T69-G71 VanDerWaalsContact C-N 3.31Å; T69-G71 PolarHBondContact O-N 3.03Å; T69-A72 PolarHBondContact O-N 3.27Å; T69-I73 HydrophobicContact CG2-CD1 4.07Å; T69-I73 WeakPolarHBondContact O-CG1 3.36Å; T69-I73 PolarHBondContact O-N 3.43Å |
| 70 | A | 89.8 | Confident | 87.9 | Confident | 62 Ų | 62 | 84 Ų | 84 | 51% | 0.512 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L66 K74 | L66-A70 WeakPolarHBondContact O-CB 3.33Å; L66-A70 PolarHBondContact O-N 3.25Å; A70-K74 WeakPolarHBondContact O-CB 3.35Å; A70-K74 PolarHBondContact O-N 3.17Å |
| 71 | G | 86.4 | Confident | 87.7 | Confident | 16 Ų | 16 | 81.6 Ų | 81.6 | 17% | 0.165 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G67 L68 T69 K74 R75 | G67-G71 PolarHBondContact O-N 2.9Å; L68-G71 PolarHBondContact O-N 3.32Å; T69-G71 VanDerWaalsContact C-N 3.31Å; T69-G71 PolarHBondContact O-N 3.03Å; G71-K74 PolarHBondContact O-N 3.09Å; G71-R75 WeakPolarHBondContact O-CB 3.37Å; G71-R75 PolarHBondContact O-N 2.81Å |
| 72 | A | 88.8 | Confident | 87.6 | Confident | 9 Ų | 9 | 82.7 Ų | 82.7 | 7% | 0.074 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L68 T69 K76 K77 M80 L81 | L68-A72 VanDerWaalsContact O-CB 3.24Å; L68-A72 WeakPolarHBondContact O-CB 3.3Å; L68-A72 PolarHBondContact O-N 3.45Å; T69-A72 PolarHBondContact O-N 3.27Å; A72-K76 VanDerWaalsContact O-CA 3.29Å; A72-K76 WeakPolarHBondContact O-CA 3.45Å; A72-K76 PolarHBondContact O-N 3.11Å; A72-K77 PolarHBondContact O-N 2.8Å; A72-K77 VanDerWaalsContact O-N 3.1Å; A72-M80 HydrophobicContact CB-CB 4.05Å; A72-L81 HydrophobicContact CB-CD2 3.92Å; A72-L81 HydrophobicContact CB-CG 4.03Å |
| 73 | I | 89.2 | Confident | 87.3 | Confident | 127 Ų | 127 | 83.2 Ų | 83.2 | 65% | 0.651 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.1 | -50.8 | 176.1 | -65.6 | 167.2 | 0 | 0 | 0 | 110.1 | T69 R75 K76 | T69-I73 HydrophobicContact CG2-CD1 4.07Å; T69-I73 WeakPolarHBondContact O-CG1 3.36Å; T69-I73 PolarHBondContact O-N 3.43Å; I73-R75 VanDerWaalsContact C-N 3.32Å; I73-R75 PolarHBondContact O-N 3.12Å; I73-K76 PolarHBondContact O-N 2.97Å |
| 74 | K | 89 | Confident | 87.1 | Confident | 187 Ų | 187 | 79.6 Ų | 79.6 | 81% | 0.813 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.2 | -38.1 | -177.7 | -173.6 | 174 | -178.2 | 175.5 | 0 | 112.7 | A70 G71 | A70-K74 WeakPolarHBondContact O-CB 3.35Å; A70-K74 PolarHBondContact O-N 3.17Å; G71-K74 PolarHBondContact O-N 3.09Å |
| 75 | R | 86.2 | Confident | 87 | Confident | 182 Ų | 182 | 84 Ų | 84 | 69% | 0.687 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -92.5 | -2 | -179.5 | -64.7 | -173.3 | 173.3 | -167.3 | -1.7 | 113.6 | G71 I73 K77 M80 | G71-R75 WeakPolarHBondContact O-CB 3.37Å; G71-R75 PolarHBondContact O-N 2.81Å; I73-R75 VanDerWaalsContact C-N 3.32Å; I73-R75 PolarHBondContact O-N 3.12Å; R75-K77 HydrophobicContact CB-CB 4.46Å; R75-K77 PolarHBondContact O-N 3.36Å; R75-K77 VanDerWaalsContact O-N 3.13Å; R75-M80 HydrophobicContact CB-SD 4.4Å |
| 76 | K | 84.3 | Confident | 87 | Confident | 190 Ų | 190 | 86 Ų | 86 | 83% | 0.826 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 33.3 | -173 | -60.4 | -176.4 | 178.2 | -178 | 0 | 113.2 | A72 I73 | A72-K76 VanDerWaalsContact O-CA 3.29Å; A72-K76 WeakPolarHBondContact O-CA 3.45Å; A72-K76 PolarHBondContact O-N 3.11Å; I73-K76 PolarHBondContact O-N 2.97Å |
| 77 | K | 86 | Confident | 86.8 | Confident | 139 Ų | 139 | 82.2 Ų | 82.2 | 60% | 0.604 | 46% | 0.464 | S | S | * | . | trans | -116.9 | 95.3 | -178.1 | -78 | -172.5 | -179.1 | -171.3 | 0 | 109.4 | A72 R75 G79 M80 | A72-K77 PolarHBondContact O-N 2.8Å; A72-K77 VanDerWaalsContact O-N 3.1Å; R75-K77 HydrophobicContact CB-CB 4.46Å; R75-K77 PolarHBondContact O-N 3.36Å; R75-K77 VanDerWaalsContact O-N 3.13Å; K77-G79 PolarHBondContact O-N 2.92Å; K77-G79 VanDerWaalsContact O-N 3.17Å; K77-M80 PolarHBondContact O-N 3.5Å | ||
| 78 | P | 80.2 | Confident | 86.8 | Confident | 105 Ų | 105 | 81 Ų | 81 | 68% | 0.682 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -63.9 | -22.2 | -178.7 | 25.8 | -33.6 | 0 | 0 | 0 | 112.7 | M80 L81 | P78-M80 PolarHBondContact O-N 3.28Å; P78-M80 VanDerWaalsContact O-N 3.08Å; P78-L81 WeakPolarHBondContact O-CB 3.25Å; P78-L81 PolarHBondContact O-N 3.06Å |
| 79 | G | 84.8 | Confident | 86.8 | Confident | 56 Ų | 56 | 86.5 Ų | 86.5 | 58% | 0.577 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -60.3 | -16.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K77 L81 A82 | K77-G79 PolarHBondContact O-N 2.92Å; K77-G79 VanDerWaalsContact O-N 3.17Å; G79-L81 PolarHBondContact O-N 3.46Å; G79-A82 WeakPolarHBondContact O-CB 3.25Å; G79-A82 PolarHBondContact O-N 2.9Å |
| 80 | M | 82.1 | Confident | 86.8 | Confident | 55 Ų | 55 | 87 Ų | 87 | 27% | 0.271 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -68 | -15.4 | 171.7 | -76.2 | -175.9 | 66.2 | 0 | 0 | 113.4 | A72 R75 K77 P78 A82 P83 | A72-M80 HydrophobicContact CB-CB 4.05Å; R75-M80 HydrophobicContact CB-SD 4.4Å; K77-M80 PolarHBondContact O-N 3.5Å; P78-M80 PolarHBondContact O-N 3.28Å; P78-M80 VanDerWaalsContact O-N 3.08Å; M80-A82 VanDerWaalsContact C-N 3.34Å; M80-P83 WeakPolarHBondContact O-CD 3.16Å |
| 81 | L | 85.1 | Confident | 86.7 | Confident | 64 Ų | 64 | 86.8 Ų | 86.8 | 34% | 0.335 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -84.1 | -11.1 | 174.4 | -55.7 | 178.1 | 0 | 0 | 0 | 112.7 | A72 P78 G79 P83 I84 | A72-L81 HydrophobicContact CB-CD2 3.92Å; A72-L81 HydrophobicContact CB-CG 4.03Å; P78-L81 WeakPolarHBondContact O-CB 3.25Å; P78-L81 PolarHBondContact O-N 3.06Å; G79-L81 PolarHBondContact O-N 3.46Å; L81-P83 VanDerWaalsContact C-CD 3.45Å; L81-P83 VanDerWaalsContact C-N 3.33Å; L81-I84 HydrophobicContact CB-CD1 4.03Å; L81-I84 HydrophobicContact CD2-CD1 3.45Å; L81-I84 VanDerWaalsContact CD2-CD1 3.45Å; L81-I84 HydrophobicContact CG-CD1 4.32Å; L81-I84 VanDerWaalsContact O-CB 3.27Å; L81-I84 WeakPolarHBondContact O-CB 3.38Å; L81-I84 PolarHBondContact O-N 3.21Å |
| 82 | A | 87.6 | Confident | 86.8 | Confident | 63 Ų | 63 | 88.8 Ų | 88.8 | 52% | 0.521 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | -44.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G79 M80 I84 V85 P86 | G79-A82 WeakPolarHBondContact O-CB 3.25Å; G79-A82 PolarHBondContact O-N 2.9Å; M80-A82 VanDerWaalsContact C-N 3.34Å; A82-I84 PolarHBondContact O-N 3.33Å; A82-V85 PolarHBondContact O-N 3.45Å; A82-P86 WeakPolarHBondContact O-CD 3.43Å |
| 83 | P | 85.6 | Confident | 86.7 | Confident | 57 Ų | 57 | 94 Ų | 94 | 37% | 0.37 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -14.7 | 178 | 25.4 | -34.7 | 0 | 0 | 0 | 114.7 | L68 M80 L81 V85 P86 L87 | L68-P83 HydrophobicContact CD1-CG 3.88Å; L68-P83 HydrophobicContact CD2-CG 4.37Å; M80-P83 WeakPolarHBondContact O-CD 3.16Å; L81-P83 VanDerWaalsContact C-CD 3.45Å; L81-P83 VanDerWaalsContact C-N 3.33Å; P83-V85 VanDerWaalsContact C-N 3.3Å; P83-V85 PolarHBondContact O-N 2.97Å; P83-P86 WeakPolarHBondContact O-CD 3.31Å; P83-P86 WeakPolarHBondContact O-CG 3.25Å; P83-L87 WeakPolarHBondContact O-CB 3.33Å; P83-L87 WeakPolarHBondContact O-CD1 3.34Å; P83-L87 WeakPolarHBondContact O-CG 3.38Å; P83-L87 PolarHBondContact O-N 2.73Å |
| 84 | I | 87.6 | Confident | 86.5 | Confident | 32 Ų | 32 | 88.7 Ų | 88.7 | 16% | 0.164 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -69.3 | -32.7 | 177.9 | -59 | 170.9 | 0 | 0 | 0 | 110.6 | F61 T65 L68 L81 A82 L87 G88 | F61-I84 HydrophobicContact CE2-CG2 4.14Å; F61-I84 HydrophobicContact CZ-CG2 4.02Å; T65-I84 HydrophobicContact CG2-CD1 4.22Å; T65-I84 HydrophobicContact CG2-CG2 4.45Å; L68-I84 HydrophobicContact CB-CD1 4.11Å; L68-I84 HydrophobicContact CB-CG1 4.45Å; L68-I84 HydrophobicContact CD1-CD1 4.4Å; L68-I84 HydrophobicContact CD1-CG1 3.85Å; L81-I84 HydrophobicContact CB-CD1 4.03Å; L81-I84 HydrophobicContact CD2-CD1 3.45Å; L81-I84 VanDerWaalsContact CD2-CD1 3.45Å; L81-I84 HydrophobicContact CG-CD1 4.32Å; L81-I84 VanDerWaalsContact O-CB 3.27Å; L81-I84 WeakPolarHBondContact O-CB 3.38Å; L81-I84 PolarHBondContact O-N 3.21Å; A82-I84 PolarHBondContact O-N 3.33Å; I84-L87 PolarHBondContact O-N 3.29Å; I84-G88 PolarHBondContact O-N 2.93Å |
| 85 | V | 88.1 | Confident | 86.3 | Confident | 113 Ų | 113 | 83.4 Ų | 83.4 | 69% | 0.685 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.3 | -56.3 | 179.8 | -179.8 | 0 | 0 | 0 | 0 | 112.3 | A82 P83 L87 G88 F89 | A82-V85 PolarHBondContact O-N 3.45Å; P83-V85 VanDerWaalsContact C-N 3.3Å; P83-V85 PolarHBondContact O-N 2.97Å; V85-L87 VanDerWaalsContact C-N 3.34Å; V85-L87 PolarHBondContact O-N 3.26Å; V85-G88 PolarHBondContact O-N 3.37Å; V85-F89 PolarHBondContact O-N 2.89Å |
| 86 | P | 89.3 | Confident | 86.3 | Confident | 78 Ų | 78 | 77.1 Ų | 77.1 | 51% | 0.506 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.2 | -35.9 | 177.3 | 25.3 | -33.6 | 0 | 0 | 0 | 112.4 | A82 P83 F89 V90 | A82-P86 WeakPolarHBondContact O-CD 3.43Å; P83-P86 WeakPolarHBondContact O-CD 3.31Å; P83-P86 WeakPolarHBondContact O-CG 3.25Å; P86-F89 WeakPolarHBondContact O-CB 3.22Å; P86-F89 PolarHBondContact O-N 2.97Å; P86-V90 PolarHBondContact O-N 2.96Å; P86-V90 VanDerWaalsContact O-N 3.17Å |
| 87 | L | 87.6 | Confident | 86.1 | Confident | 48 Ų | 48 | 68.7 Ų | 68.7 | 25% | 0.251 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 176.1 | -71.5 | 172.9 | 0 | 0 | 0 | 112.2 | F57 F61 P83 I84 V85 F89 V90 F91 | F57-L87 HydrophobicContact CE2-CD2 4.32Å; F57-L87 HydrophobicContact CZ-CD2 4.04Å; F61-L87 HydrophobicContact CD2-CB 3.87Å; F61-L87 HydrophobicContact CE2-CB 3.8Å; P83-L87 WeakPolarHBondContact O-CB 3.33Å; P83-L87 WeakPolarHBondContact O-CD1 3.34Å; P83-L87 WeakPolarHBondContact O-CG 3.38Å; P83-L87 PolarHBondContact O-N 2.73Å; I84-L87 PolarHBondContact O-N 3.29Å; V85-L87 VanDerWaalsContact C-N 3.34Å; V85-L87 PolarHBondContact O-N 3.26Å; L87-F89 VanDerWaalsContact C-N 3.33Å; L87-V90 PolarHBondContact O-N 3.49Å; L87-F91 PolarHBondContact O-N 3.34Å |
| 88 | G | 88.5 | Confident | 85.8 | Confident | 22 Ų | 22 | 62.7 Ų | 62.7 | 23% | 0.227 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.3 | -35.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I84 V85 F91 A92 | I84-G88 PolarHBondContact O-N 2.93Å; V85-G88 PolarHBondContact O-N 3.37Å; G88-F91 PolarHBondContact O-N 2.74Å; G88-A92 WeakPolarHBondContact O-CB 3.46Å; G88-A92 PolarHBondContact O-N 2.99Å |
| 89 | F | 89.7 | Confident | 85.6 | Confident | 158 Ų | 158 | 64.8 Ų | 64.8 | 69% | 0.693 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.8 | -46.6 | 173.3 | -171.5 | -94.7 | 0 | 0 | 0 | 111.8 | V85 P86 L87 F91 A92 Y93 | V85-F89 PolarHBondContact O-N 2.89Å; P86-F89 WeakPolarHBondContact O-CB 3.22Å; P86-F89 PolarHBondContact O-N 2.97Å; L87-F89 VanDerWaalsContact C-N 3.33Å; F89-F91 VanDerWaalsContact C-N 3.32Å; F89-F91 PolarHBondContact O-N 2.99Å; F89-A92 PolarHBondContact O-N 3.23Å; F89-Y93 WeakPolarHBondContact O-CB 3.48Å; F89-Y93 PolarHBondContact O-N 3.4Å |
| 90 | V | 88.1 | Confident | 85.3 | Confident | 64 Ų | 64 | 63.5 Ų | 63.5 | 39% | 0.388 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 175.2 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | F57 P86 L87 Y93 Q94 | F57-V90 HydrophobicContact CE1-CB 4.46Å; F57-V90 HydrophobicContact CE1-CG1 4.19Å; F57-V90 HydrophobicContact CZ-CB 4.36Å; F57-V90 HydrophobicContact CZ-CG1 4.13Å; P86-V90 PolarHBondContact O-N 2.96Å; P86-V90 VanDerWaalsContact O-N 3.17Å; L87-V90 PolarHBondContact O-N 3.49Å; V90-Y93 PolarHBondContact O-N 3.28Å; V90-Q94 WeakPolarHBondContact O-CB 3.39Å; V90-Q94 PolarHBondContact O-N 2.98Å |
| 91 | F | 87.7 | Confident | 85.4 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 25% | 0.254 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 176.4 | -173.8 | -99.9 | 0 | 0 | 0 | 111.9 | L54 F57 L87 G88 F89 Y93 Q94 M95 | L54-F91 HydrophobicContact CD1-CD2 3.96Å; L54-F91 HydrophobicContact CD1-CE2 3.55Å; L54-F91 HydrophobicContact CD1-CZ 4.07Å; L54-F91 HydrophobicContact CG-CE2 4.46Å; F57-F91 HydrophobicContact CD1-CB 4.43Å; F57-F91 AromaticContact CD1-CD2 3.93Å; F57-F91 HydrophobicContact CD1-CD2 3.93Å; F57-F91 HydrophobicContact CE1-CB 3.95Å; F57-F91 HydrophobicContact CE1-CD2 4.24Å; L87-F91 PolarHBondContact O-N 3.34Å; G88-F91 PolarHBondContact O-N 2.74Å; F89-F91 VanDerWaalsContact C-N 3.32Å; F89-F91 PolarHBondContact O-N 2.99Å; F91-Y93 PolarHBondContact O-N 3.45Å; F91-Q94 PolarHBondContact O-N 3.35Å; F91-M95 HydrophobicContact CD1-CG 4.02Å; F91-M95 HydrophobicContact CE1-CG 3.68Å; F91-M95 HydrophobicContact CE1-SD 4.15Å; F91-M95 HydrophobicContact CZ-CG 4Å; F91-M95 HydrophobicContact CZ-SD 3.99Å; F91-M95 VanDerWaalsContact O-CG 3.29Å; F91-M95 WeakPolarHBondContact O-CG 3.37Å; F91-M95 PolarHBondContact O-N 2.86Å |
| 92 | A | 87.3 | Confident | 85.3 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | G88 F89 Q94 M95 D96 | G88-A92 WeakPolarHBondContact O-CB 3.46Å; G88-A92 PolarHBondContact O-N 2.99Å; F89-A92 PolarHBondContact O-N 3.23Å; A92-Q94 VanDerWaalsContact C-N 3.35Å; A92-Q94 PolarHBondContact O-N 2.94Å; A92-M95 WeakPolarHBondContact O-CB 3.38Å; A92-M95 PolarHBondContact O-N 3.25Å; A92-D96 PolarHBondContact O-N 3.26Å |
| 93 | Y | 87.1 | Confident | 84.9 | Confident | 119 Ų | 119 | 63.1 Ų | 63.1 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 173.8 | 172 | -96.5 | 0 | 0 | 0 | 111.9 | F89 V90 F91 D96 S97 L102 | F89-Y93 WeakPolarHBondContact O-CB 3.48Å; F89-Y93 PolarHBondContact O-N 3.4Å; V90-Y93 PolarHBondContact O-N 3.28Å; F91-Y93 PolarHBondContact O-N 3.45Å; Y93-D96 PolarHBondContact O-N 2.97Å; Y93-S97 WeakPolarHBondContact O-CB 3.32Å; Y93-S97 PolarHBondContact O-N 3.36Å; Y93-S97 PolarHBondContact O-OG 2.84Å; Y93-L102 HydrophobicContact CD2-CD2 4.29Å; Y93-L102 HydrophobicContact CE2-CD2 3.59Å |
| 94 | Q | 84.9 | Confident | 84.8 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 7% | 0.07 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 179.3 | -167.6 | 70.1 | 9.9 | 0 | 0 | 111.9 | S50 F53 L54 V90 F91 A92 S97 V98 | S50-Q94 VanDerWaalsContact CA-NE2 3.27Å; S50-Q94 VanDerWaalsContact CB-NE2 3.31Å; S50-Q94 PolarHBondContact O-NE2 3.35Å; S50-Q94 VanDerWaalsContact O-NE2 3.09Å; F53-Q94 HydrophobicContact CD1-CG 3.83Å; F53-Q94 HydrophobicContact CE1-CG 4.29Å; L54-Q94 HydrophobicContact CB-CG 4.19Å; L54-Q94 HydrophobicContact CD1-CB 4.15Å; L54-Q94 HydrophobicContact CD1-CG 4.01Å; V90-Q94 WeakPolarHBondContact O-CB 3.39Å; V90-Q94 PolarHBondContact O-N 2.98Å; F91-Q94 PolarHBondContact O-N 3.35Å; A92-Q94 VanDerWaalsContact C-N 3.35Å; A92-Q94 PolarHBondContact O-N 2.94Å; Q94-S97 PolarHBondContact O-N 2.95Å; Q94-V98 HydrophobicContact CG-CG2 4.47Å; Q94-V98 WeakPolarHBondContact O-CB 3.38Å; Q94-V98 VanDerWaalsContact O-CG2 3.26Å; Q94-V98 WeakPolarHBondContact O-CG2 3.28Å; Q94-V98 PolarHBondContact O-N 3.06Å |
| 95 | M | 85.1 | Confident | 84.6 | Confident | 76 Ų | 76 | 73.3 Ų | 73.3 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.2 | -47.9 | 174.4 | -76.2 | -70.9 | -64 | 0 | 0 | 111.7 | L54 F91 A92 S97 V98 Y99 | L54-M95 HydrophobicContact CD1-CG 3.84Å; L54-M95 HydrophobicContact CD1-SD 3.67Å; L54-M95 HydrophobicContact CD2-CG 4.46Å; L54-M95 HydrophobicContact CD2-SD 3.39Å; L54-M95 WeakPolarHBondContact CD2-SD 3.4Å; L54-M95 HydrophobicContact CG-SD 4.03Å; F91-M95 HydrophobicContact CD1-CG 4.02Å; F91-M95 HydrophobicContact CE1-CG 3.68Å; F91-M95 HydrophobicContact CE1-SD 4.15Å; F91-M95 HydrophobicContact CZ-CG 4Å; F91-M95 HydrophobicContact CZ-SD 3.99Å; F91-M95 VanDerWaalsContact O-CG 3.29Å; F91-M95 WeakPolarHBondContact O-CG 3.37Å; F91-M95 PolarHBondContact O-N 2.86Å; A92-M95 WeakPolarHBondContact O-CB 3.38Å; A92-M95 PolarHBondContact O-N 3.25Å; M95-S97 VanDerWaalsContact C-N 3.34Å; M95-V98 PolarHBondContact O-N 3.43Å; M95-Y99 HydrophobicContact CE-CD2 4.5Å; M95-Y99 PolarHBondContact O-N 3.36Å |
| 96 | D | 85.3 | Confident | 84.4 | Confident | 50 Ų | 50 | 72.3 Ų | 72.3 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.7 | -32.4 | 177.9 | -173 | 30.9 | 0 | 0 | 0 | 112.2 | A92 Y93 V98 G100 T101 R105 | A92-D96 PolarHBondContact O-N 3.26Å; Y93-D96 PolarHBondContact O-N 2.97Å; D96-V98 VanDerWaalsContact C-N 3.35Å; D96-V98 PolarHBondContact O-N 2.81Å; D96-G100 CarbonylContact O-C 3.33Å; D96-G100 WeakPolarHBondContact O-CA 3.4Å; D96-G100 PolarHBondContact O-N 3.36Å; D96-G100 WeakPolarHBondContact OD1-CA 3.28Å; D96-T101 PolarHBondContact OD1-N 3.12Å; D96-R105 IonicContact OD1-NH2 2.65Å; D96-R105 IonicContact OD2-CZ 3.97Å; D96-R105 IonicContact OD2-NH2 3.91Å; D96-R105 PolarHBondContact OD2-NH2 2.87Å |
| 97 | S | 80.6 | Confident | 84.1 | Confident | 14 Ų | 14 | 75.7 Ų | 75.7 | 10% | 0.098 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.8 | -35 | 173.9 | -60 | 0 | 0 | 0 | 0 | 113.1 | Y93 Q94 M95 L102 I103 | Y93-S97 WeakPolarHBondContact O-CB 3.32Å; Y93-S97 PolarHBondContact O-N 3.36Å; Y93-S97 PolarHBondContact O-OG 2.84Å; Q94-S97 PolarHBondContact O-N 2.95Å; M95-S97 VanDerWaalsContact C-N 3.34Å; S97-L102 WeakPolarHBondContact OG-CD2 3.4Å; S97-I103 WeakPolarHBondContact O-CD1 3.38Å |
| 98 | V | 79.5 | Confident | 84 | Confident | 12 Ų | 12 | 75 Ų | 75 | 7% | 0.073 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -90.3 | -43.4 | -173.9 | 171.9 | 0 | 0 | 0 | 0 | 113 | S50 R51 Q94 M95 D96 | S50-V98 VanDerWaalsContact C-CG2 3.47Å; S50-V98 VanDerWaalsContact CB-CG2 3.47Å; S50-V98 WeakPolarHBondContact O-CG2 3.4Å; R51-V98 HydrophobicContact CB-CG1 4.34Å; R51-V98 HydrophobicContact CG-CG1 3.32Å; Q94-V98 HydrophobicContact CG-CG2 4.47Å; Q94-V98 WeakPolarHBondContact O-CB 3.38Å; Q94-V98 VanDerWaalsContact O-CG2 3.26Å; Q94-V98 WeakPolarHBondContact O-CG2 3.28Å; Q94-V98 PolarHBondContact O-N 3.06Å; M95-V98 PolarHBondContact O-N 3.43Å; D96-V98 VanDerWaalsContact C-N 3.35Å; D96-V98 PolarHBondContact O-N 2.81Å |
| 99 | Y | 75.4 | Confident | 83.9 | Confident | 149 Ų | 149 | 80 Ų | 80 | 58% | 0.584 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -116.4 | -18.6 | -172.9 | -66.8 | -72.6 | 0 | 0 | 0 | 113.3 | L54 M95 | L54-Y99 HydrophobicContact CD2-CD2 4.29Å; L54-Y99 HydrophobicContact CD2-CE2 3.76Å; M95-Y99 HydrophobicContact CE-CD2 4.5Å; M95-Y99 PolarHBondContact O-N 3.36Å |
| 100 | G | 79.2 | Confident | 83.7 | Confident | 29 Ų | 29 | 74.6 Ų | 74.6 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -91.3 | -159.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D96 | D96-G100 CarbonylContact O-C 3.33Å; D96-G100 WeakPolarHBondContact O-CA 3.4Å; D96-G100 PolarHBondContact O-N 3.36Å; D96-G100 WeakPolarHBondContact OD1-CA 3.28Å |
| 101 | T | 83.7 | Confident | 83.6 | Confident | 79 Ų | 79 | 76.2 Ų | 76.2 | 49% | 0.485 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -98.2 | 0.1 | -171.8 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | D96 I103 Y104 R105 | D96-T101 PolarHBondContact OD1-N 3.12Å; T101-I103 VanDerWaalsContact C-N 3.27Å; T101-I103 PolarHBondContact O-N 2.86Å; T101-Y104 PolarHBondContact O-N 3.34Å; T101-R105 PolarHBondContact O-N 3.01Å; T101-R105 PolarHBondContact OG1-NE 2.86Å |
| 102 | L | 82.6 | Confident | 83.6 | Confident | 24 Ų | 24 | 77.7 Ų | 77.7 | 13% | 0.126 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -54.8 | -43.1 | -173.6 | -169.8 | 75.7 | 0 | 0 | 0 | 112.1 | Y93 S97 Y104 R105 M106 | Y93-L102 HydrophobicContact CD2-CD2 4.29Å; Y93-L102 HydrophobicContact CE2-CD2 3.59Å; S97-L102 WeakPolarHBondContact OG-CD2 3.4Å; L102-Y104 VanDerWaalsContact C-N 3.32Å; L102-Y104 PolarHBondContact O-N 2.94Å; L102-R105 PolarHBondContact O-N 3.49Å; L102-M106 HydrophobicContact CD2-CE 4.02Å; L102-M106 HydrophobicContact CG-CE 3.9Å; L102-M106 HydrophobicContact CG-CG 4.45Å; L102-M106 HydrophobicContact CG-SD 4.37Å; L102-M106 WeakPolarHBondContact O-CB 3.35Å; L102-M106 WeakPolarHBondContact O-CG 3.26Å; L102-M106 PolarHBondContact O-N 2.7Å |
| 103 | I | 80.8 | Confident | 83.6 | Confident | 71 Ų | 71 | 77.4 Ų | 77.4 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 178 | -65.6 | 179.2 | 0 | 0 | 0 | 111.4 | I47 S97 T101 M106 R107 | I47-I103 HydrophobicContact CD1-CD1 4.27Å; I47-I103 HydrophobicContact CG1-CD1 3.97Å; S97-I103 WeakPolarHBondContact O-CD1 3.38Å; T101-I103 VanDerWaalsContact C-N 3.27Å; T101-I103 PolarHBondContact O-N 2.86Å; I103-M106 HydrophobicContact CG1-CE 4.33Å; I103-R107 WeakPolarHBondContact O-CB 3.43Å; I103-R107 PolarHBondContact O-N 3.39Å |
| 104 | Y | 82.2 | Confident | 83.4 | Confident | 173 Ų | 173 | 77.2 Ų | 77.2 | 68% | 0.678 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -70.2 | -38.5 | 178.2 | -62.3 | -75.5 | 0 | 0 | 0 | 112 | T101 L102 R107 G108 | T101-Y104 PolarHBondContact O-N 3.34Å; L102-Y104 VanDerWaalsContact C-N 3.32Å; L102-Y104 PolarHBondContact O-N 2.94Å; Y104-R107 PolarHBondContact O-N 3.39Å; Y104-G108 PolarHBondContact O-N 2.91Å |
| 105 | R | 84.4 | Confident | 83.2 | Confident | 131 Ų | 131 | 80.7 Ų | 80.7 | 49% | 0.494 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65 | -47.9 | 175.7 | -73 | -175.5 | -76.5 | 155 | -0.2 | 111.6 | D96 T101 L102 R107 G108 E109 | D96-R105 IonicContact OD1-NH2 2.65Å; D96-R105 IonicContact OD2-CZ 3.97Å; D96-R105 IonicContact OD2-NH2 3.91Å; D96-R105 PolarHBondContact OD2-NH2 2.87Å; T101-R105 PolarHBondContact O-N 3.01Å; T101-R105 PolarHBondContact OG1-NE 2.86Å; L102-R105 PolarHBondContact O-N 3.49Å; R105-R107 VanDerWaalsContact C-N 3.26Å; R105-R107 PolarHBondContact O-N 3.24Å; R105-G108 PolarHBondContact O-N 3.44Å; R105-G108 VanDerWaalsContact O-N 3.17Å; R105-E109 PolarHBondContact O-N 2.9Å |
| 106 | M | 84.1 | Confident | 83.1 | Confident | 91 Ų | 91 | 80.7 Ų | 80.7 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.8 | -38.6 | 174.8 | -74.1 | -172.1 | -63.9 | 0 | 0 | 111.7 | L102 I103 E109 A110 | L102-M106 HydrophobicContact CD2-CE 4.02Å; L102-M106 HydrophobicContact CG-CE 3.9Å; L102-M106 HydrophobicContact CG-CG 4.45Å; L102-M106 HydrophobicContact CG-SD 4.37Å; L102-M106 WeakPolarHBondContact O-CB 3.35Å; L102-M106 WeakPolarHBondContact O-CG 3.26Å; L102-M106 PolarHBondContact O-N 2.7Å; I103-M106 HydrophobicContact CG1-CE 4.33Å; M106-E109 PolarHBondContact O-N 2.83Å; M106-A110 VanDerWaalsContact O-CB 3.3Å; M106-A110 WeakPolarHBondContact O-CB 3.41Å; M106-A110 PolarHBondContact O-N 2.87Å |
| 107 | R | 83.3 | Confident | 82.8 | Confident | 149 Ų | 149 | 81.1 Ų | 81.1 | 56% | 0.562 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.5 | -46.9 | 174.8 | -175.3 | -177.6 | -176.2 | 161.1 | 8.9 | 111.8 | I103 Y104 R105 E109 A110 E111 | I103-R107 WeakPolarHBondContact O-CB 3.43Å; I103-R107 PolarHBondContact O-N 3.39Å; Y104-R107 PolarHBondContact O-N 3.39Å; R105-R107 VanDerWaalsContact C-N 3.26Å; R105-R107 PolarHBondContact O-N 3.24Å; R107-E109 VanDerWaalsContact C-N 3.33Å; R107-E109 PolarHBondContact O-N 3.22Å; R107-A110 PolarHBondContact O-N 3.44Å; R107-E111 WeakPolarHBondContact CG-OE1 3.3Å; R107-E111 IonicContact NE-OE1 2.7Å; R107-E111 PolarHBondContact NE-OE1 2.91Å; R107-E111 VanDerWaalsContact NE-OE1 3.12Å; R107-E111 WeakPolarHBondContact O-CG 3.27Å; R107-E111 PolarHBondContact O-N 3.42Å |
| 108 | G | 85.2 | Confident | 82.6 | Confident | 35 Ų | 35 | 86 Ų | 86 | 36% | 0.361 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y104 R105 E111 N112 | Y104-G108 PolarHBondContact O-N 2.91Å; R105-G108 PolarHBondContact O-N 3.44Å; R105-G108 VanDerWaalsContact O-N 3.17Å; G108-E111 PolarHBondContact O-N 3.34Å; G108-N112 WeakPolarHBondContact O-CB 3.35Å; G108-N112 PolarHBondContact O-N 2.9Å |
| 109 | E | 86.4 | Confident | 82.3 | Confident | 127 Ų | 127 | 92 Ų | 92 | 59% | 0.593 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.9 | -41.2 | 174.9 | -167.9 | 169.5 | -174.5 | 0 | 0 | 111.7 | R105 M106 R107 E111 N112 I113 | R105-E109 PolarHBondContact O-N 2.9Å; M106-E109 PolarHBondContact O-N 2.83Å; R107-E109 VanDerWaalsContact C-N 3.33Å; R107-E109 PolarHBondContact O-N 3.22Å; E109-E111 PolarHBondContact O-N 2.88Å; E109-N112 WeakPolarHBondContact O-CB 3.48Å; E109-N112 PolarHBondContact O-N 2.94Å; E109-I113 HydrophobicContact CG-CD1 4.28Å; E109-I113 WeakPolarHBondContact O-CG1 3.33Å; E109-I113 PolarHBondContact O-N 3.38Å |
| 110 | A | 84.5 | Confident | 82.2 | Confident | 44 Ų | 44 | 94.2 Ų | 94.2 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M106 R107 N112 I113 M114 | M106-A110 VanDerWaalsContact O-CB 3.3Å; M106-A110 WeakPolarHBondContact O-CB 3.41Å; M106-A110 PolarHBondContact O-N 2.87Å; R107-A110 PolarHBondContact O-N 3.44Å; A110-N112 VanDerWaalsContact C-N 3.32Å; A110-I113 PolarHBondContact O-N 3.13Å; A110-M114 WeakPolarHBondContact O-CG 3.49Å; A110-M114 PolarHBondContact O-N 2.92Å |
| 111 | E | 86.7 | Confident | 82 | Confident | 98 Ų | 98 | 97 Ų | 97 | 46% | 0.458 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 173.5 | -74.4 | 170.2 | -170.8 | 0 | 0 | 111.1 | R107 G108 E109 M114 A115 | R107-E111 WeakPolarHBondContact CG-OE1 3.3Å; R107-E111 IonicContact NE-OE1 2.7Å; R107-E111 PolarHBondContact NE-OE1 2.91Å; R107-E111 VanDerWaalsContact NE-OE1 3.12Å; R107-E111 WeakPolarHBondContact O-CG 3.27Å; R107-E111 PolarHBondContact O-N 3.42Å; G108-E111 PolarHBondContact O-N 3.34Å; E109-E111 PolarHBondContact O-N 2.88Å; E111-M114 HydrophobicContact CG-CE 4.21Å; E111-M114 PolarHBondContact O-N 3.41Å; E111-A115 WeakPolarHBondContact O-CB 3.28Å; E111-A115 PolarHBondContact O-N 3.43Å; E111-A115 VanDerWaalsContact O-N 3.09Å |
| 112 | N | 87.6 | Confident | 81.5 | Confident | 89 Ų | 89 | 98.1 Ų | 98.1 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 175.4 | -170.5 | 50.5 | 0 | 0 | 0 | 112.4 | G108 E109 A110 M114 A115 S116 | G108-N112 WeakPolarHBondContact O-CB 3.35Å; G108-N112 PolarHBondContact O-N 2.9Å; E109-N112 WeakPolarHBondContact O-CB 3.48Å; E109-N112 PolarHBondContact O-N 2.94Å; A110-N112 VanDerWaalsContact C-N 3.32Å; N112-M114 PolarHBondContact O-N 3.42Å; N112-A115 PolarHBondContact O-N 3.25Å; N112-S116 WeakPolarHBondContact O-CB 3.43Å; N112-S116 PolarHBondContact O-N 2.97Å; N112-S116 PolarHBondContact O-OG 2.87Å; N112-S116 PolarHBondContact OD1-OG 2.93Å |
| 113 | I | 86.3 | Confident | 81 | Confident | 51 Ų | 51 | 102 Ų | 102 | 26% | 0.262 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 177.3 | -69.5 | 164.9 | 0 | 0 | 0 | 110.5 | E109 A110 A115 E117 L121 | E109-I113 HydrophobicContact CG-CD1 4.28Å; E109-I113 WeakPolarHBondContact O-CG1 3.33Å; E109-I113 PolarHBondContact O-N 3.38Å; A110-I113 PolarHBondContact O-N 3.13Å; I113-A115 PolarHBondContact O-N 3.3Å; I113-E117 HydrophobicContact CG2-CB 4.29Å; I113-E117 CarbonylContact O-C 3.24Å; I113-E117 VanDerWaalsContact O-C 3.24Å; I113-E117 WeakPolarHBondContact O-CA 3.25Å; I113-E117 PolarHBondContact O-N 3.27Å; I113-L121 HydrophobicContact CG2-CD1 4.37Å; I113-L121 HydrophobicContact CG2-CD2 4.05Å; I113-L121 HydrophobicContact CG2-CG 4.25Å |
| 114 | M | 82.8 | Confident | 80.2 | Confident | 114 Ų | 114 | 104.3 Ų | 104.3 | 56% | 0.562 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.9 | -33.3 | 177.4 | -72.7 | -172.8 | -63.6 | 0 | 0 | 112.8 | A110 E111 N112 L121 | A110-M114 WeakPolarHBondContact O-CG 3.49Å; A110-M114 PolarHBondContact O-N 2.92Å; E111-M114 HydrophobicContact CG-CE 4.21Å; E111-M114 PolarHBondContact O-N 3.41Å; N112-M114 PolarHBondContact O-N 3.42Å; M114-L121 HydrophobicContact CG-CD1 4.1Å |
| 115 | A | 82.6 | Confident | 79.4 | Confident | 89 Ų | 89 | 105 Ų | 105 | 74% | 0.736 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -86.8 | -38 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | E111 N112 I113 | E111-A115 WeakPolarHBondContact O-CB 3.28Å; E111-A115 PolarHBondContact O-N 3.43Å; E111-A115 VanDerWaalsContact O-N 3.09Å; N112-A115 PolarHBondContact O-N 3.25Å; I113-A115 PolarHBondContact O-N 3.3Å |
| 116 | S | 81.3 | Confident | 78.5 | Confident | 75 Ų | 75 | 100.6 Ų | 100.6 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -113.6 | -20.6 | -168.5 | 65.3 | 0 | 0 | 0 | 0 | 114.4 | N112 | N112-S116 WeakPolarHBondContact O-CB 3.43Å; N112-S116 PolarHBondContact O-N 2.97Å; N112-S116 PolarHBondContact O-OG 2.87Å; N112-S116 PolarHBondContact OD1-OG 2.93Å |
| 117 | E | 80.6 | Confident | 77.9 | Confident | 60 Ų | 60 | 101.5 Ų | 101.5 | 28% | 0.28 | 55% | 0.552 | S | S | . | * | trans | -127.8 | 43.6 | -173.9 | -60 | -178.2 | -164.5 | 0 | 0 | 111.6 | I113 D119 R120 | I113-E117 HydrophobicContact CG2-CB 4.29Å; I113-E117 CarbonylContact O-C 3.24Å; I113-E117 VanDerWaalsContact O-C 3.24Å; I113-E117 WeakPolarHBondContact O-CA 3.25Å; I113-E117 PolarHBondContact O-N 3.27Å; E117-D119 PolarHBondContact O-N 2.87Å; E117-R120 HydrophobicContact CB-CG 4.4Å; E117-R120 PolarHBondContact O-N 3.39Å; E117-R120 IonicContact OE1-NH1 3.98Å; E117-R120 WeakPolarHBondContact OE2-CD 3.41Å; E117-R120 IonicContact OE2-CZ 3.15Å; E117-R120 IonicContact OE2-NE 3.32Å; E117-R120 PolarHBondContact OE2-NE 3.5Å; E117-R120 IonicContact OE2-NH1 2.65Å; E117-R120 PolarHBondContact OE2-NH1 2.94Å | ||
| 118 | H | 74.6 | Confident | 77.3 | Confident | 116 Ų | 116 | 98.7 Ų | 98.7 | 54% | 0.537 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -57.2 | -35.8 | -178.3 | -162.1 | 72.6 | 0 | 0 | 0 | 112.7 | R120 L121 | H118-R120 PolarHBondContact O-N 3.17Å; H118-R120 VanDerWaalsContact O-N 3.09Å; H118-L121 WeakPolarHBondContact O-CB 3.38Å; H118-L121 PolarHBondContact O-N 3.38Å |
| 119 | D | 74.9 | Confident | 76.9 | Confident | 139 Ų | 139 | 101.4 Ų | 101.4 | 74% | 0.743 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -58.6 | -22.9 | 177.6 | -63.8 | -0.9 | 0 | 0 | 0 | 113.5 | E117 L121 | E117-D119 PolarHBondContact O-N 2.87Å; D119-L121 VanDerWaalsContact C-N 3.34Å |
| 120 | R | 72.6 | Confident | 76.5 | Confident | 194 Ų | 194 | 103.2 Ų | 103.2 | 73% | 0.732 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -81.2 | -15.1 | 175.4 | -66.9 | -169.5 | 179.1 | 171.9 | -5.8 | 113.5 | E117 H118 | E117-R120 HydrophobicContact CB-CG 4.4Å; E117-R120 PolarHBondContact O-N 3.39Å; E117-R120 IonicContact OE1-NH1 3.98Å; E117-R120 WeakPolarHBondContact OE2-CD 3.41Å; E117-R120 IonicContact OE2-CZ 3.15Å; E117-R120 IonicContact OE2-NE 3.32Å; E117-R120 PolarHBondContact OE2-NE 3.5Å; E117-R120 IonicContact OE2-NH1 2.65Å; E117-R120 PolarHBondContact OE2-NH1 2.94Å; H118-R120 PolarHBondContact O-N 3.17Å; H118-R120 VanDerWaalsContact O-N 3.09Å |
| 121 | L | 74.3 | Confident | 76.1 | Confident | 87 Ų | 87 | 108.6 Ų | 108.6 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -92 | -5.9 | 178.6 | -58.5 | 175.3 | 0 | 0 | 0 | 111.9 | I113 M114 H118 D119 L123 | I113-L121 HydrophobicContact CG2-CD1 4.37Å; I113-L121 HydrophobicContact CG2-CD2 4.05Å; I113-L121 HydrophobicContact CG2-CG 4.25Å; M114-L121 HydrophobicContact CG-CD1 4.1Å; H118-L121 WeakPolarHBondContact O-CB 3.38Å; H118-L121 PolarHBondContact O-N 3.38Å; D119-L121 VanDerWaalsContact C-N 3.34Å; L121-L123 PolarHBondContact O-N 3Å |
| 122 | D | 74.2 | Confident | 75.6 | Confident | 104 Ų | 104 | 106.4 Ų | 106.4 | 56% | 0.556 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 130.1 | 177.1 | -79.7 | -23.5 | 0 | 0 | 0 | 111 | ||
| 123 | L | 71.8 | Confident | 75.2 | Confident | 106 Ų | 106 | 106.1 Ų | 106.1 | 56% | 0.555 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 134.6 | 176.3 | -70.3 | 157.9 | 0 | 0 | 0 | 109 | L121 L125 G126 | L121-L123 PolarHBondContact O-N 3Å; L123-L125 PolarHBondContact O-N 3.29Å; L123-L125 VanDerWaalsContact O-N 3.15Å; L123-G126 WeakPolarHBondContact O-CA 3.37Å; L123-G126 PolarHBondContact O-N 3.41Å |
| 124 | P | 64.3 | Low | 75 | Confident | 118 Ų | 118 | 106.2 Ų | 106.2 | 77% | 0.766 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | 124 | 170 | 23.4 | -30.3 | 0 | 0 | 0 | 108.6 | ||
| 125 | L | 64.8 | Low | 74.8 | Confident | 188 Ų | 188 | 108.6 Ų | 108.6 | 98% | 0.984 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.7 | 9.3 | -171 | -54.4 | 153.2 | 0 | 0 | 0 | 116 | L123 | L123-L125 PolarHBondContact O-N 3.29Å; L123-L125 VanDerWaalsContact O-N 3.15Å |
| 126 | G | 66.8 | Low | 74.7 | Confident | 39 Ų | 39 | 107.3 Ų | 107.3 | 40% | 0.402 | 57% | 0.572 | S | S | . | * | trans | 70.9 | -170.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L123 | L123-G126 WeakPolarHBondContact O-CA 3.37Å; L123-G126 PolarHBondContact O-N 3.41Å | ||
| 127 | T | 69.9 | Low | 74.5 | Confident | 110 Ų | 110 | 111.4 Ų | 111.4 | 68% | 0.675 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -66.6 | 128.8 | 175.6 | 52.8 | 0 | 0 | 0 | 0 | 110.1 | T129 | T127-T129 PolarHBondContact O-N 3.05Š|
| 128 | P | 71.4 | Confident | 74.3 | Confident | 90 Ų | 90 | 116.5 Ų | 116.5 | 58% | 0.584 | 59% | 0.592 | S | S | * | * | trans | -59.3 | 107.4 | 178 | 20.8 | -30.2 | 0 | 0 | 0 | 110.3 | I133 | P128-I133 HydrophobicContact CB-CD1 4.45Å; P128-I133 HydrophobicContact CB-CG1 4.27Å | ||
| 129 | T | 77.1 | Confident | 74.4 | Confident | 91 Ų | 91 | 113.8 Ų | 113.8 | 56% | 0.558 | 59% | 0.59 | S | S | * | * | trans | -73.1 | 157.9 | 176.1 | 7.6 | 0 | 0 | 0 | 0 | 110.5 | T127 E131 S132 I133 | T127-T129 PolarHBondContact O-N 3.05Å; T129-E131 PolarHBondContact O-N 2.88Å; T129-E131 VanDerWaalsContact O-N 3.12Å; T129-S132 PolarHBondContact N-OG 3.38Å; T129-S132 PolarHBondContact O-N 2.87Å; T129-S132 PolarHBondContact O-OG 2.86Å; T129-I133 PolarHBondContact O-N 2.84Å; T129-I133 VanDerWaalsContact O-N 3.17Å | ||
| 130 | Y | 77.3 | Confident | 74.5 | Confident | 165 Ų | 165 | 114.3 Ų | 114.3 | 65% | 0.647 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -49.5 | -41.2 | 176.5 | 176.5 | -97.9 | 0 | 0 | 0 | 112.4 | S132 I133 E134 | Y130-S132 PolarHBondContact O-N 3.47Å; Y130-I133 PolarHBondContact O-N 2.85Å; Y130-E134 HydrophobicContact CD1-CG 4.32Å; Y130-E134 HydrophobicContact CE1-CG 3.75Å; Y130-E134 HydrophobicContact CE2-CG 4.28Å; Y130-E134 PolarHBondContact O-N 2.83Å; Y130-E134 PolarHBondContact OH-OE1 3.19Å |
| 131 | E | 76.6 | Confident | 74.5 | Confident | 157 Ų | 157 | 109.5 Ų | 109.5 | 73% | 0.734 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.7 | -38.7 | 177.6 | -66.5 | -171.4 | 165.7 | 0 | 0 | 113.7 | T129 I133 E134 K135 | T129-E131 PolarHBondContact O-N 2.88Å; T129-E131 VanDerWaalsContact O-N 3.12Å; E131-I133 VanDerWaalsContact C-N 3.34Å; E131-E134 PolarHBondContact O-N 3.26Å; E131-K135 VanDerWaalsContact O-CB 3.23Å; E131-K135 WeakPolarHBondContact O-CB 3.12Å; E131-K135 PolarHBondContact O-N 2.83Å |
| 132 | S | 76.4 | Confident | 74.3 | Confident | 52 Ų | 52 | 107 Ų | 107 | 36% | 0.364 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70 | -35.3 | 178.7 | 72.4 | 0 | 0 | 0 | 0 | 111.4 | T129 Y130 A136 | T129-S132 PolarHBondContact N-OG 3.38Å; T129-S132 PolarHBondContact O-N 2.87Å; T129-S132 PolarHBondContact O-OG 2.86Å; Y130-S132 PolarHBondContact O-N 3.47Å; S132-A136 WeakPolarHBondContact O-CB 3.41Å; S132-A136 PolarHBondContact O-N 3.39Å |
| 133 | I | 79.9 | Confident | 73.7 | Confident | 84 Ų | 84 | 107.6 Ų | 107.6 | 43% | 0.431 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.3 | -45.1 | 174.5 | -61 | 172 | 0 | 0 | 0 | 110.9 | P128 T129 Y130 E131 A136 R137 | P128-I133 HydrophobicContact CB-CD1 4.45Å; P128-I133 HydrophobicContact CB-CG1 4.27Å; T129-I133 PolarHBondContact O-N 2.84Å; T129-I133 VanDerWaalsContact O-N 3.17Å; Y130-I133 PolarHBondContact O-N 2.85Å; E131-I133 VanDerWaalsContact C-N 3.34Å; I133-A136 PolarHBondContact O-N 2.84Å; I133-R137 WeakPolarHBondContact O-CB 3.33Å; I133-R137 PolarHBondContact O-N 3.41Å |
| 134 | E | 81.2 | Confident | 73.3 | Confident | 53 Ų | 53 | 107 Ų | 107 | 25% | 0.248 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -63.4 | -43.6 | 175.8 | -89 | -139.8 | 135.1 | 0 | 0 | 112.2 | Y130 E131 A136 R137 R138 | Y130-E134 HydrophobicContact CD1-CG 4.32Å; Y130-E134 HydrophobicContact CE1-CG 3.75Å; Y130-E134 HydrophobicContact CE2-CG 4.28Å; Y130-E134 PolarHBondContact O-N 2.83Å; Y130-E134 PolarHBondContact OH-OE1 3.19Å; E131-E134 PolarHBondContact O-N 3.26Å; E134-A136 VanDerWaalsContact C-N 3.35Å; E134-A136 PolarHBondContact O-N 3.26Å; E134-R137 PolarHBondContact O-N 2.84Å; E134-R138 WeakPolarHBondContact O-CG 3.28Å; E134-R138 PolarHBondContact O-N 3.31Å; E134-R138 IonicContact OE2-CZ 3.82Å; E134-R138 IonicContact OE2-NE 3.69Å; E134-R138 IonicContact OE2-NH2 3.53Å; E134-R138 PolarHBondContact OE2-NH2 2.87Å |
| 135 | K | 79.4 | Confident | 73.1 | Confident | 164 Ų | 164 | 104.7 Ų | 104.7 | 71% | 0.713 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.7 | -43 | 177.7 | -170.1 | 176.3 | -178.3 | -179.9 | 0 | 111.3 | E131 R138 A139 | E131-K135 VanDerWaalsContact O-CB 3.23Å; E131-K135 WeakPolarHBondContact O-CB 3.12Å; E131-K135 PolarHBondContact O-N 2.83Å; K135-R138 PolarHBondContact O-N 3.37Å; K135-A139 WeakPolarHBondContact O-CB 3.36Å; K135-A139 PolarHBondContact O-N 3.42Å |
| 136 | A | 79.2 | Confident | 73 | Confident | 62 Ų | 62 | 104.1 Ų | 104.1 | 51% | 0.512 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S132 I133 E134 K140 | S132-A136 WeakPolarHBondContact O-CB 3.41Å; S132-A136 PolarHBondContact O-N 3.39Å; I133-A136 PolarHBondContact O-N 2.84Å; E134-A136 VanDerWaalsContact C-N 3.35Å; E134-A136 PolarHBondContact O-N 3.26Å; A136-K140 WeakPolarHBondContact O-CB 3.41Å; A136-K140 PolarHBondContact O-N 3.5Å |
| 137 | R | 76.6 | Confident | 72.8 | Confident | 161 Ų | 161 | 109 Ų | 109 | 61% | 0.608 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.1 | -47.9 | 176.9 | -172.7 | 179.5 | -68.5 | 167.7 | -2.5 | 111.8 | I133 E134 A139 K140 T141 | I133-R137 WeakPolarHBondContact O-CB 3.33Å; I133-R137 PolarHBondContact O-N 3.41Å; E134-R137 PolarHBondContact O-N 2.84Å; R137-A139 PolarHBondContact O-N 3.21Å; R137-K140 PolarHBondContact O-N 2.83Å; R137-T141 PolarHBondContact O-N 2.81Å; R137-T141 PolarHBondContact O-OG1 3.33Å |
| 138 | R | 77.3 | Confident | 72.2 | Confident | 167 Ų | 167 | 111.7 Ų | 111.7 | 63% | 0.63 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.3 | -40.4 | 178 | -67.9 | -177.3 | -157.1 | 175.6 | 7.4 | 112.1 | E134 K135 K140 T141 G142 | E134-R138 WeakPolarHBondContact O-CG 3.28Å; E134-R138 PolarHBondContact O-N 3.31Å; E134-R138 IonicContact OE2-CZ 3.82Å; E134-R138 IonicContact OE2-NE 3.69Å; E134-R138 IonicContact OE2-NH2 3.53Å; E134-R138 PolarHBondContact OE2-NH2 2.87Å; K135-R138 PolarHBondContact O-N 3.37Å; R138-K140 VanDerWaalsContact C-N 3.33Å; R138-K140 PolarHBondContact O-N 3.45Å; R138-T141 PolarHBondContact O-N 2.86Å; R138-G142 PolarHBondContact O-N 3.01Å |
| 139 | A | 77.2 | Confident | 71 | Confident | 59 Ų | 59 | 119.1 Ų | 119.1 | 49% | 0.488 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.9 | -40.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | K135 R137 G142 L143 | K135-A139 WeakPolarHBondContact O-CB 3.36Å; K135-A139 PolarHBondContact O-N 3.42Å; R137-A139 PolarHBondContact O-N 3.21Å; A139-G142 PolarHBondContact O-N 3.38Å; A139-L143 WeakPolarHBondContact O-CB 3.4Å; A139-L143 PolarHBondContact O-N 2.84Å |
| 140 | K | 75.8 | Confident | 70.7 | Confident | 150 Ų | 150 | 120.5 Ų | 120.5 | 65% | 0.652 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.9 | -42 | 176.7 | -160.4 | 177.1 | -174.6 | -175.6 | 0 | 112.2 | A136 R137 R138 L143 I144 | A136-K140 WeakPolarHBondContact O-CB 3.41Å; A136-K140 PolarHBondContact O-N 3.5Å; R137-K140 PolarHBondContact O-N 2.83Å; R138-K140 VanDerWaalsContact C-N 3.33Å; R138-K140 PolarHBondContact O-N 3.45Å; K140-L143 PolarHBondContact O-N 3.45Å; K140-I144 HydrophobicContact CG-CD1 4.5Å; K140-I144 WeakPolarHBondContact O-CD1 3.42Å; K140-I144 VanDerWaalsContact O-CG1 3.28Å; K140-I144 WeakPolarHBondContact O-CG1 3.27Å; K140-I144 PolarHBondContact O-N 3.24Å |
| 141 | T | 72.9 | Confident | 70.4 | Confident | 93 Ų | 93 | 118.2 Ų | 118.2 | 57% | 0.571 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.8 | -40.1 | 175 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | R137 R138 I144 S145 | R137-T141 PolarHBondContact O-N 2.81Å; R137-T141 PolarHBondContact O-OG1 3.33Å; R138-T141 PolarHBondContact O-N 2.86Å; T141-I144 PolarHBondContact O-N 2.98Å; T141-S145 PolarHBondContact O-N 3.2Å; T141-S145 VanDerWaalsContact O-N 3.13Å |
| 142 | G | 69.8 | Low | 70 | Confident | 35 Ų | 35 | 116 Ų | 116 | 36% | 0.361 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.6 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | R138 A139 I144 S145 F146 | R138-G142 PolarHBondContact O-N 3.01Å; A139-G142 PolarHBondContact O-N 3.38Å; G142-I144 PolarHBondContact O-N 3.04Å; G142-S145 PolarHBondContact O-N 3.03Å; G142-S145 PolarHBondContact O-OG 2.9Å; G142-F146 PolarHBondContact O-N 3.28Å; G142-F146 VanDerWaalsContact O-N 3.14Å |
| 143 | L | 61.8 | Low | 69.7 | Low | 116 Ų | 116 | 119.8 Ų | 119.8 | 61% | 0.607 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.5 | -40.5 | 176.1 | -101.4 | 159.4 | 0 | 0 | 0 | 112.9 | A139 K140 F146 L147 | A139-L143 WeakPolarHBondContact O-CB 3.4Å; A139-L143 PolarHBondContact O-N 2.84Å; K140-L143 PolarHBondContact O-N 3.45Å; L143-F146 PolarHBondContact O-N 3.47Å; L143-L147 PolarHBondContact O-N 3.39Å |
| 144 | I | 63.7 | Low | 69 | Low | 92 Ų | 92 | 122 Ų | 122 | 47% | 0.472 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.1 | -42.9 | 176.6 | -66.6 | 164.3 | 0 | 0 | 0 | 110.3 | K140 T141 G142 F146 L147 E148 | K140-I144 HydrophobicContact CG-CD1 4.5Å; K140-I144 WeakPolarHBondContact O-CD1 3.42Å; K140-I144 VanDerWaalsContact O-CG1 3.28Å; K140-I144 WeakPolarHBondContact O-CG1 3.27Å; K140-I144 PolarHBondContact O-N 3.24Å; T141-I144 PolarHBondContact O-N 2.98Å; G142-I144 PolarHBondContact O-N 3.04Å; I144-F146 PolarHBondContact O-N 3.23Å; I144-L147 PolarHBondContact O-N 3.41Å; I144-E148 PolarHBondContact O-N 3.19Å |
| 145 | S | 60.8 | Low | 68.2 | Low | 71 Ų | 71 | 126.6 Ų | 126.6 | 50% | 0.497 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.2 | -22.1 | 177.3 | 73.7 | 0 | 0 | 0 | 0 | 114.4 | T141 G142 | T141-S145 PolarHBondContact O-N 3.2Å; T141-S145 VanDerWaalsContact O-N 3.13Å; G142-S145 PolarHBondContact O-N 3.03Å; G142-S145 PolarHBondContact O-OG 2.9Å |
| 146 | F | 61.6 | Low | 67.4 | Low | 175 Ų | 175 | 123.9 Ų | 123.9 | 77% | 0.768 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -86.5 | -25.2 | 177.9 | -138.6 | -83.7 | 0 | 0 | 0 | 112.4 | G142 L143 I144 | G142-F146 PolarHBondContact O-N 3.28Å; G142-F146 VanDerWaalsContact O-N 3.14Å; L143-F146 PolarHBondContact O-N 3.47Å; I144-F146 PolarHBondContact O-N 3.23Å |
| 147 | L | 62.9 | Low | 66.5 | Low | 141 Ų | 141 | 128.7 Ų | 128.7 | 74% | 0.738 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -83.4 | -18 | 176.6 | -93.9 | 155.6 | 0 | 0 | 0 | 113.3 | L143 I144 | L143-L147 PolarHBondContact O-N 3.39Å; I144-L147 PolarHBondContact O-N 3.41Å |
| 148 | E | 57 | Low | 65.7 | Low | 168 Ų | 168 | 126 Ų | 126 | 79% | 0.785 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 7.9 | 176 | -76.3 | -175.6 | 150.5 | 0 | 0 | 114 | I144 | I144-E148 PolarHBondContact O-N 3.19Š|
| 149 | K | 47.4 | Very low | 64.6 | Low | 245 Ų | 245 | 122.3 Ų | 122.3 | 100% | 1.065 | 64% | 0.637 | S | S | * | * | trans | -110.3 | 0 | 172.7 | -103.1 | -173.9 | 177.8 | -176.9 | 0 | 111.2 |
Retrieved 149 of 149 residues in 47.4 ms
(Link to these results)