| 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 | 48.5 | Very low | 55.1 | Low | 242 Ų | 242 | 170.1 Ų | 170.1 | 100% | 1.192 | 87% | 0.865 | S | S | * | * | 0 | 112.3 | 0 | -75.2 | -178.5 | -89.7 | 0 | 0 | 107.5 | |||||
| 2 | F | 47.5 | Very low | 54.4 | Low | 204 Ų | 204 | 160.8 Ų | 160.8 | 90% | 0.895 | 84% | 0.843 | S | S | * | * | trans | -88.5 | 119 | -174.1 | -68.4 | -85.3 | 0 | 0 | 0 | 110.3 | R4 | F2-R4 HydrophobicContact CB-CG 4.45Å; F2-R4 PolarHBondContact O-N 3.38Å | ||
| 3 | A | 57.6 | Low | 53.8 | Low | 105 Ų | 105 | 162.2 Ų | 162.2 | 87% | 0.868 | 84% | 0.842 | S | S | * | * | trans | -91.1 | 93.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | G5 | A3-G5 PolarHBondContact O-N 2.91Å; A3-G5 VanDerWaalsContact O-N 3.16Å | ||
| 4 | R | 55.9 | Low | 52.8 | Low | 236 Ų | 236 | 163.4 Ų | 163.4 | 89% | 0.891 | 84% | 0.842 | S | S | * | * | trans | -69.9 | 106.2 | 173.6 | -68 | 172.8 | 79.3 | 156.3 | 1.6 | 107.8 | F2 L6 | F2-R4 HydrophobicContact CB-CG 4.45Å; F2-R4 PolarHBondContact O-N 3.38Å; R4-L6 PolarHBondContact O-N 3.19Å | ||
| 5 | G | 66.4 | Low | 52.3 | Low | 74 Ų | 74 | 163.9 Ų | 163.9 | 76% | 0.763 | 84% | 0.839 | S | S | * | * | trans | -63.7 | 127 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | A3 K7 | A3-G5 PolarHBondContact O-N 2.91Å; A3-G5 VanDerWaalsContact O-N 3.16Å; G5-K7 PolarHBondContact O-N 3.26Å | ||
| 6 | L | 62.4 | Low | 52.2 | Low | 160 Ų | 160 | 162.9 Ų | 162.9 | 84% | 0.838 | 84% | 0.836 | S | S | * | * | trans | -66.6 | 101.1 | 176.8 | -178.7 | 62.6 | 0 | 0 | 0 | 109.7 | R4 R8 | R4-L6 PolarHBondContact O-N 3.19Å; L6-R8 PolarHBondContact O-N 2.85Å; L6-R8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | K | 65.6 | Low | 52.3 | Low | 203 Ų | 203 | 159.4 Ų | 159.4 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -73.8 | 99.6 | 172.2 | -131.7 | -176 | 178.4 | -179.2 | 0 | 107.9 | G5 K9 | G5-K7 PolarHBondContact O-N 3.26Å; K7-K9 PolarHBondContact O-N 3.1Å; K7-K9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | R | 68.2 | Low | 52.2 | Low | 224 Ų | 224 | 159.2 Ų | 159.2 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -70.3 | 103.9 | 170.4 | -67 | -171 | -64.1 | 165 | 1.4 | 108.1 | L6 | L6-R8 PolarHBondContact O-N 2.85Å; L6-R8 VanDerWaalsContact O-N 3.15Å | ||
| 9 | K | 55.1 | Low | 52.4 | Low | 181 Ų | 181 | 153.2 Ų | 153.2 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | trans | -85.1 | 107.3 | 162.7 | -173.5 | -173.4 | -175.5 | -147.4 | 0 | 105.5 | K7 V11 | K7-K9 PolarHBondContact O-N 3.1Å; K7-K9 VanDerWaalsContact O-N 3.08Å; K9-V11 VanDerWaalsContact C-N 3.32Å; K9-V11 PolarHBondContact O-N 3.35Å | ||
| 10 | C | 40.1 | Very low | 52.8 | Low | 124 Ų | 124 | 148.2 Ų | 148.2 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -65.5 | 99.4 | 168.2 | -60.8 | 0 | 0 | 0 | 0 | 106.9 | G12 | C10-G12 PolarHBondContact O-N 3.45Š| ||
| 11 | V | 38.8 | Very low | 53.1 | Low | 118 Ų | 118 | 145.5 Ų | 145.5 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | trans | -65.7 | 121.8 | 159.7 | 147.3 | 0 | 0 | 0 | 0 | 105.1 | K9 | K9-V11 VanDerWaalsContact C-N 3.32Å; K9-V11 PolarHBondContact O-N 3.35Å | ||
| 12 | G | 47.3 | Very low | 53.7 | Low | 59 Ų | 59 | 136.5 Ų | 136.5 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | trans | -62.7 | 169.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C10 | C10-G12 PolarHBondContact O-N 3.45Š| ||
| 13 | H | 46.5 | Very low | 54.5 | Low | 178 Ų | 178 | 128.2 Ų | 128.2 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | trans | 107 | 47.3 | 167.1 | -157.4 | 77.5 | 0 | 0 | 0 | 117.1 | ||||
| 14 | E | 39.4 | Very low | 54.8 | Low | 180 Ų | 180 | 128.8 Ų | 128.8 | 84% | 0.841 | 69% | 0.691 | S | S | * | * | trans | -145.4 | 19.5 | 155.7 | -22.8 | -135.8 | 83.4 | 0 | 0 | 113.7 | D16 | E14-D16 PolarHBondContact O-N 3.38Š| ||
| 15 | E | 44.6 | Very low | 55.7 | Low | 171 Ų | 171 | 124.6 Ų | 124.6 | 80% | 0.799 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -88 | 11.7 | -162.7 | -59.2 | -165.8 | 136.1 | 0 | 0 | 116.7 | ||
| 16 | D | 50.7 | Low | 56 | Low | 147 Ų | 147 | 125.3 Ų | 125.3 | 79% | 0.786 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -87.1 | -32.6 | -178.8 | -161.8 | 43.6 | 0 | 0 | 0 | 112.6 | E14 A20 | E14-D16 PolarHBondContact O-N 3.38Å; D16-A20 WeakPolarHBondContact O-CB 3.22Å |
| 17 | V | 54.2 | Low | 56.7 | Low | 104 Ų | 104 | 121.5 Ų | 121.5 | 63% | 0.63 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -90.7 | -35.8 | -177 | 178.5 | 0 | 0 | 0 | 0 | 112.3 | L21 | V17-L21 HydrophobicContact CG1-CD1 4.41Å; V17-L21 WeakPolarHBondContact O-CB 3.35Å; V17-L21 WeakPolarHBondContact O-CG 3.37Å; V17-L21 PolarHBondContact O-N 3.06Å |
| 18 | E | 50.9 | Low | 57.3 | Low | 155 Ų | 155 | 115.2 Ų | 115.2 | 72% | 0.724 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -80.1 | -32.9 | -177.9 | -163.8 | 160.4 | 174.3 | 0 | 0 | 112.5 | L21 A22 | E18-L21 PolarHBondContact O-N 3.33Å; E18-A22 WeakPolarHBondContact O-CB 3.42Å; E18-A22 PolarHBondContact O-N 2.9Å |
| 19 | G | 55.8 | Low | 58.1 | Low | 45 Ų | 45 | 108.2 Ų | 108.2 | 46% | 0.464 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.2 | -39.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A22 G23 | G19-A22 PolarHBondContact O-N 2.93Å; G19-G23 PolarHBondContact O-N 2.84Å |
| 20 | A | 60 | Low | 59.9 | Low | 53 Ų | 53 | 104.3 Ų | 104.3 | 44% | 0.438 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.2 | -41.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D16 G23 L24 | D16-A20 WeakPolarHBondContact O-CB 3.22Å; A20-G23 PolarHBondContact O-N 2.91Å; A20-L24 WeakPolarHBondContact O-CB 3.38Å; A20-L24 WeakPolarHBondContact O-CD1 3.07Å; A20-L24 PolarHBondContact O-N 3.35Å |
| 21 | L | 59.3 | Low | 62.4 | Low | 93 Ų | 93 | 99.4 Ų | 99.4 | 49% | 0.487 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.2 | -34.8 | 175.2 | -79.5 | 176.6 | 0 | 0 | 0 | 113.2 | V17 E18 K25 | V17-L21 HydrophobicContact CG1-CD1 4.41Å; V17-L21 WeakPolarHBondContact O-CB 3.35Å; V17-L21 WeakPolarHBondContact O-CG 3.37Å; V17-L21 PolarHBondContact O-N 3.06Å; E18-L21 PolarHBondContact O-N 3.33Å; L21-K25 WeakPolarHBondContact O-CG 3.49Å; L21-K25 PolarHBondContact O-N 3.03Å |
| 22 | A | 62.1 | Low | 64.9 | Low | 53 Ų | 53 | 100 Ų | 100 | 44% | 0.438 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67 | -44.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | E18 G19 L24 K25 T26 | E18-A22 WeakPolarHBondContact O-CB 3.42Å; E18-A22 PolarHBondContact O-N 2.9Å; G19-A22 PolarHBondContact O-N 2.93Å; A22-L24 PolarHBondContact O-N 2.91Å; A22-K25 PolarHBondContact O-N 3.28Å; A22-T26 WeakPolarHBondContact O-CG2 3.39Å; A22-T26 PolarHBondContact O-N 3.36Å; A22-T26 PolarHBondContact O-OG1 3.21Å |
| 23 | G | 63.2 | Low | 67.1 | Low | 30 Ų | 30 | 102.6 Ų | 102.6 | 31% | 0.309 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.7 | -41.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G19 A20 T26 V27 | G19-G23 PolarHBondContact O-N 2.84Å; A20-G23 PolarHBondContact O-N 2.91Å; G23-T26 WeakPolarHBondContact CA-OG1 3.5Å; G23-T26 PolarHBondContact O-N 3.24Å; G23-T26 PolarHBondContact O-OG1 2.94Å; G23-V27 VanDerWaalsContact O-CB 3.31Å; G23-V27 WeakPolarHBondContact O-CB 3.41Å; G23-V27 WeakPolarHBondContact O-CG2 3.38Å; G23-V27 PolarHBondContact O-N 3.4Å |
| 24 | L | 64.9 | Low | 69.4 | Low | 117 Ų | 117 | 94.5 Ų | 94.5 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -40.1 | 174.4 | -90.8 | 151.3 | 0 | 0 | 0 | 112.4 | A20 A22 S28 | A20-L24 WeakPolarHBondContact O-CB 3.38Å; A20-L24 WeakPolarHBondContact O-CD1 3.07Å; A20-L24 PolarHBondContact O-N 3.35Å; A22-L24 PolarHBondContact O-N 2.91Å; L24-S28 VanDerWaalsContact O-CB 3.31Å; L24-S28 WeakPolarHBondContact O-CB 3.34Å; L24-S28 PolarHBondContact O-N 3.26Å |
| 25 | K | 73.2 | Confident | 72 | Confident | 148 Ų | 148 | 89.2 Ų | 89.2 | 64% | 0.643 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.1 | -38.9 | 175.4 | -82.1 | 174.8 | -178.6 | 159.8 | 0 | 112.5 | L21 A22 S28 S29 | L21-K25 WeakPolarHBondContact O-CG 3.49Å; L21-K25 PolarHBondContact O-N 3.03Å; A22-K25 PolarHBondContact O-N 3.28Å; K25-S28 PolarHBondContact O-N 3.48Å; K25-S29 WeakPolarHBondContact O-CB 3.35Å; K25-S29 PolarHBondContact O-N 3.27Å; K25-S29 PolarHBondContact O-OG 2.85Å |
| 26 | T | 74.3 | Confident | 74.4 | Confident | 88 Ų | 88 | 84.4 Ų | 84.4 | 54% | 0.54 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.8 | -41.6 | 177 | 55 | 0 | 0 | 0 | 0 | 111 | A22 G23 S28 S29 Y30 | A22-T26 WeakPolarHBondContact O-CG2 3.39Å; A22-T26 PolarHBondContact O-N 3.36Å; A22-T26 PolarHBondContact O-OG1 3.21Å; G23-T26 WeakPolarHBondContact CA-OG1 3.5Å; G23-T26 PolarHBondContact O-N 3.24Å; G23-T26 PolarHBondContact O-OG1 2.94Å; T26-S28 PolarHBondContact O-N 2.97Å; T26-S29 PolarHBondContact O-N 3.12Å; T26-Y30 WeakPolarHBondContact O-CB 3.37Å; T26-Y30 PolarHBondContact O-N 3.35Å |
| 27 | V | 75.8 | Confident | 76.6 | Confident | 80 Ų | 80 | 81.4 Ų | 81.4 | 49% | 0.485 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 173.5 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | G23 S31 | G23-V27 VanDerWaalsContact O-CB 3.31Å; G23-V27 WeakPolarHBondContact O-CB 3.41Å; G23-V27 WeakPolarHBondContact O-CG2 3.38Å; G23-V27 PolarHBondContact O-N 3.4Å; V27-S31 WeakPolarHBondContact O-CB 3.49Å; V27-S31 PolarHBondContact O-N 2.88Å; V27-S31 PolarHBondContact O-OG 3.17Å |
| 28 | S | 78.6 | Confident | 78.7 | Confident | 71 Ų | 71 | 76.5 Ų | 76.5 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.1 | -33.1 | 174.6 | -177.3 | 0 | 0 | 0 | 0 | 113.4 | L24 K25 T26 S31 L32 | L24-S28 VanDerWaalsContact O-CB 3.31Å; L24-S28 WeakPolarHBondContact O-CB 3.34Å; L24-S28 PolarHBondContact O-N 3.26Å; K25-S28 PolarHBondContact O-N 3.48Å; T26-S28 PolarHBondContact O-N 2.97Å; S28-S31 WeakPolarHBondContact CA-OG 3.38Å; S28-S31 PolarHBondContact O-OG 3.11Å; S28-L32 WeakPolarHBondContact O-CB 3.37Å; S28-L32 PolarHBondContact O-N 2.7Å |
| 29 | S | 86.3 | Confident | 80.8 | Confident | 78 Ų | 78 | 73 Ų | 73 | 55% | 0.545 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -73.3 | -41.8 | 178.5 | -59 | 0 | 0 | 0 | 0 | 110.7 | K25 T26 L32 Q33 | K25-S29 WeakPolarHBondContact O-CB 3.35Å; K25-S29 PolarHBondContact O-N 3.27Å; K25-S29 PolarHBondContact O-OG 2.85Å; T26-S29 PolarHBondContact O-N 3.12Å; S29-L32 PolarHBondContact O-N 2.99Å; S29-Q33 WeakPolarHBondContact O-CB 3.37Å; S29-Q33 PolarHBondContact O-N 3.46Å |
| 30 | Y | 92.8 | Very high | 82.8 | Confident | 98 Ų | 98 | 76 Ų | 76 | 38% | 0.384 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 176.5 | 178.9 | -110.5 | 0 | 0 | 0 | 112.1 | T26 Q33 R34 E72 | T26-Y30 WeakPolarHBondContact O-CB 3.37Å; T26-Y30 PolarHBondContact O-N 3.35Å; Y30-Q33 PolarHBondContact O-N 3.32Å; Y30-R34 HydrophobicContact CE1-CG 4.24Å; Y30-R34 HydrophobicContact CE2-CG 4.18Å; Y30-R34 WeakPolarHBondContact O-CG 3.45Å; Y30-R34 PolarHBondContact O-N 3.19Å; Y30-E72 PolarHBondContact OH-OE1 3.36Å |
| 31 | S | 91.2 | Very high | 84.5 | Confident | 22 Ų | 22 | 73.6 Ų | 73.6 | 15% | 0.154 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 174.9 | 68.2 | 0 | 0 | 0 | 0 | 112.2 | V27 S28 R34 Q35 | V27-S31 WeakPolarHBondContact O-CB 3.49Å; V27-S31 PolarHBondContact O-N 2.88Å; V27-S31 PolarHBondContact O-OG 3.17Å; S28-S31 WeakPolarHBondContact CA-OG 3.38Å; S28-S31 PolarHBondContact O-OG 3.11Å; S31-R34 PolarHBondContact O-N 3.2Å; S31-Q35 PolarHBondContact O-N 3.33Å |
| 32 | L | 90.9 | Very high | 86.3 | Confident | 130 Ų | 130 | 72 Ų | 72 | 68% | 0.681 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | 175.1 | -169.2 | 114.9 | 0 | 0 | 0 | 112.1 | S28 S29 Q35 S36 | S28-L32 WeakPolarHBondContact O-CB 3.37Å; S28-L32 PolarHBondContact O-N 2.7Å; S29-L32 PolarHBondContact O-N 2.99Å; L32-Q35 WeakPolarHBondContact O-CB 3.43Å; L32-Q35 PolarHBondContact O-N 3.1Å; L32-S36 PolarHBondContact O-N 2.68Å |
| 33 | Q | 94.7 | Very high | 87.9 | Confident | 114 Ų | 114 | 72.6 Ų | 72.6 | 53% | 0.533 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 175.2 | -179.5 | 178.3 | 6.2 | 0 | 0 | 111.4 | S29 Y30 Q35 S36 L37 | S29-Q33 WeakPolarHBondContact O-CB 3.37Å; S29-Q33 PolarHBondContact O-N 3.46Å; Y30-Q33 PolarHBondContact O-N 3.32Å; Q33-Q35 VanDerWaalsContact C-N 3.27Å; Q33-Q35 PolarHBondContact O-N 2.87Å; Q33-S36 PolarHBondContact O-N 3.32Å; Q33-L37 HydrophobicContact CG-CD1 4.27Å; Q33-L37 WeakPolarHBondContact O-CG 3.42Å; Q33-L37 PolarHBondContact O-N 2.84Å |
| 34 | R | 93.8 | Very high | 89.4 | Confident | 8 Ų | 8 | 74.8 Ų | 74.8 | 3% | 0.03 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.6 | -38 | 176 | -75.1 | -171.4 | -56.1 | -172.5 | 3.9 | 111.7 | Y30 S31 L37 L38 I69 E72 M73 D76 | Y30-R34 HydrophobicContact CE1-CG 4.24Å; Y30-R34 HydrophobicContact CE2-CG 4.18Å; Y30-R34 WeakPolarHBondContact O-CG 3.45Å; Y30-R34 PolarHBondContact O-N 3.19Å; S31-R34 PolarHBondContact O-N 3.2Å; R34-L37 PolarHBondContact O-N 3Å; R34-L38 WeakPolarHBondContact O-CB 3.35Å; R34-L38 PolarHBondContact O-N 2.88Å; R34-I69 HydrophobicContact CB-CG2 4Å; R34-E72 PolarHBondContact NH1-O 2.88Å; R34-E72 VanDerWaalsContact NH1-O 3.12Å; R34-M73 HydrophobicContact CB-CE 3.49Å; R34-M73 VanDerWaalsContact CB-CE 3.49Å; R34-M73 HydrophobicContact CB-CG 4.32Å; R34-M73 WeakPolarHBondContact O-CE 3.36Å; R34-D76 IonicContact CZ-OD2 2.71Å; R34-D76 IonicContact NH1-OD2 3.6Å; R34-D76 PolarHBondContact NH1-OD2 3.27Å; R34-D76 IonicContact NH2-OD2 3.7Å; R34-D76 PolarHBondContact NH2-OD2 2.94Å |
| 35 | Q | 95.1 | Very high | 90.8 | Very high | 69 Ų | 69 | 69.5 Ų | 69.5 | 32% | 0.322 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 176.3 | -173.9 | 62.2 | 55.3 | 0 | 0 | 111.2 | S31 L32 Q33 L37 L38 D39 M73 | S31-Q35 PolarHBondContact O-N 3.33Å; L32-Q35 WeakPolarHBondContact O-CB 3.43Å; L32-Q35 PolarHBondContact O-N 3.1Å; Q33-Q35 VanDerWaalsContact C-N 3.27Å; Q33-Q35 PolarHBondContact O-N 2.87Å; Q35-L37 VanDerWaalsContact C-N 3.31Å; Q35-L37 PolarHBondContact O-N 3.41Å; Q35-L38 WeakPolarHBondContact O-CB 3.33Å; Q35-L38 PolarHBondContact O-N 3.09Å; Q35-L38 VanDerWaalsContact O-N 3.17Å; Q35-D39 PolarHBondContact NE2-OD1 2.62Å; Q35-D39 PolarHBondContact O-N 3.3Å; Q35-M73 HydrophobicContact CB-CE 3.9Å |
| 36 | S | 95.4 | Very high | 91.7 | Very high | 69 Ų | 69 | 66.1 Ų | 66.1 | 48% | 0.483 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 174.9 | -178.2 | 0 | 0 | 0 | 0 | 112.4 | L32 Q33 D39 M40 | L32-S36 PolarHBondContact O-N 2.68Å; Q33-S36 PolarHBondContact O-N 3.32Å; S36-D39 PolarHBondContact O-N 3.42Å; S36-M40 WeakPolarHBondContact O-CB 3.47Å; S36-M40 WeakPolarHBondContact O-CG 3.47Å; S36-M40 PolarHBondContact O-N 3.37Å |
| 37 | L | 96.9 | Very high | 92.5 | Very high | 84 Ų | 84 | 66.9 Ų | 66.9 | 44% | 0.44 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.7 | -37 | 176 | -70.9 | 173.5 | 0 | 0 | 0 | 112.8 | Q33 R34 Q35 S41 I69 | Q33-L37 HydrophobicContact CG-CD1 4.27Å; Q33-L37 WeakPolarHBondContact O-CG 3.42Å; Q33-L37 PolarHBondContact O-N 2.84Å; R34-L37 PolarHBondContact O-N 3Å; Q35-L37 VanDerWaalsContact C-N 3.31Å; Q35-L37 PolarHBondContact O-N 3.41Å; L37-S41 VanDerWaalsContact O-CB 3.25Å; L37-S41 WeakPolarHBondContact O-CB 3.1Å; L37-S41 PolarHBondContact O-N 3.36Å; L37-S41 PolarHBondContact O-OG 2.89Å; L37-I69 HydrophobicContact CB-CD1 3.84Å |
| 38 | L | 96.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.8 | -50 | 175.2 | -179.1 | 62.3 | 0 | 0 | 0 | 110.3 | R34 Q35 M40 S41 L42 V66 I69 Q70 M73 W79 | R34-L38 WeakPolarHBondContact O-CB 3.35Å; R34-L38 PolarHBondContact O-N 2.88Å; Q35-L38 WeakPolarHBondContact O-CB 3.33Å; Q35-L38 PolarHBondContact O-N 3.09Å; Q35-L38 VanDerWaalsContact O-N 3.17Å; L38-M40 PolarHBondContact O-N 2.93Å; L38-S41 PolarHBondContact O-N 3.42Å; L38-L42 HydrophobicContact CD1-CG 4.46Å; L38-L42 HydrophobicContact CG-CD1 4.27Å; L38-L42 WeakPolarHBondContact O-CG 3.31Å; L38-L42 PolarHBondContact O-N 3.22Å; L38-V66 HydrophobicContact CD1-CB 4.39Å; L38-V66 HydrophobicContact CD1-CG1 3.85Å; L38-V66 HydrophobicContact CD1-CG2 4.43Å; L38-I69 HydrophobicContact CB-CG2 4.07Å; L38-Q70 HydrophobicContact CD1-CG 4.02Å; L38-Q70 HydrophobicContact CD2-CG 4.34Å; L38-M73 HydrophobicContact CB-CE 4.44Å; L38-M73 HydrophobicContact CD2-CE 4.34Å; L38-M73 HydrophobicContact CD2-SD 4.08Å; L38-W79 HydrophobicContact CD2-CH2 3.55Å; L38-W79 HydrophobicContact CD2-CZ3 3.61Å |
| 39 | D | 96.1 | Very high | 93.5 | Very high | 80 Ų | 80 | 62.1 Ų | 62.1 | 43% | 0.428 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.2 | -48.2 | 179.2 | -63.5 | -19.2 | 0 | 0 | 0 | 110.8 | Q35 S36 S41 L42 V43 | Q35-D39 PolarHBondContact NE2-OD1 2.62Å; Q35-D39 PolarHBondContact O-N 3.3Å; S36-D39 PolarHBondContact O-N 3.42Å; D39-S41 VanDerWaalsContact C-N 3.29Å; D39-S41 PolarHBondContact O-N 3.04Å; D39-L42 PolarHBondContact O-N 3.16Å; D39-V43 WeakPolarHBondContact O-CG2 3.18Å; D39-V43 PolarHBondContact O-N 3.27Å |
| 40 | M | 96.9 | Very high | 93.5 | Very high | 110 Ų | 110 | 64.9 Ų | 64.9 | 54% | 0.542 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.3 | -38.5 | 175 | -76.6 | -60.1 | -62.6 | 0 | 0 | 112.5 | S36 L38 V43 K44 | S36-M40 WeakPolarHBondContact O-CB 3.47Å; S36-M40 WeakPolarHBondContact O-CG 3.47Å; S36-M40 PolarHBondContact O-N 3.37Å; L38-M40 PolarHBondContact O-N 2.93Å; M40-V43 PolarHBondContact O-N 2.99Å; M40-K44 WeakPolarHBondContact O-CG 3.36Å; M40-K44 PolarHBondContact O-N 2.89Å |
| 41 | S | 96.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.014 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.2 | -35.3 | -180 | -60.3 | 0 | 0 | 0 | 0 | 112.5 | L37 L38 D39 K44 L45 I62 | L37-S41 VanDerWaalsContact O-CB 3.25Å; L37-S41 WeakPolarHBondContact O-CB 3.1Å; L37-S41 PolarHBondContact O-N 3.36Å; L37-S41 PolarHBondContact O-OG 2.89Å; L38-S41 PolarHBondContact O-N 3.42Å; D39-S41 VanDerWaalsContact C-N 3.29Å; D39-S41 PolarHBondContact O-N 3.04Å; S41-K44 PolarHBondContact O-N 3.44Å; S41-L45 WeakPolarHBondContact O-CB 3.37Å; S41-L45 PolarHBondContact O-N 3.43Å; S41-I62 WeakPolarHBondContact O-CG2 3.38Å |
| 42 | L | 96.6 | Very high | 92.7 | Very high | 58 Ų | 58 | 70.9 Ų | 70.9 | 30% | 0.304 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 172.5 | -68.6 | 173 | 0 | 0 | 0 | 111.8 | L38 D39 K44 L45 Q46 V66 | L38-L42 HydrophobicContact CD1-CG 4.46Å; L38-L42 HydrophobicContact CG-CD1 4.27Å; L38-L42 WeakPolarHBondContact O-CG 3.31Å; L38-L42 PolarHBondContact O-N 3.22Å; D39-L42 PolarHBondContact O-N 3.16Å; L42-K44 PolarHBondContact O-N 3.06Å; L42-L45 WeakPolarHBondContact O-CB 3.4Å; L42-L45 PolarHBondContact O-N 3.22Å; L42-Q46 WeakPolarHBondContact O-CG 3.45Å; L42-Q46 PolarHBondContact O-N 3.48Å; L42-V66 HydrophobicContact CD2-CG1 4.12Å; L42-V66 HydrophobicContact CD2-CG2 4.23Å |
| 43 | V | 95.3 | Very high | 92.3 | Very high | 67 Ų | 67 | 72.4 Ų | 72.4 | 41% | 0.406 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 173.6 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | D39 M40 L45 Q46 L47 | D39-V43 WeakPolarHBondContact O-CG2 3.18Å; D39-V43 PolarHBondContact O-N 3.27Å; M40-V43 PolarHBondContact O-N 2.99Å; V43-L45 VanDerWaalsContact C-N 3.26Å; V43-L45 PolarHBondContact O-N 3.19Å; V43-Q46 PolarHBondContact O-N 2.88Å; V43-L47 HydrophobicContact CG1-CD1 3.99Å; V43-L47 HydrophobicContact CG1-CG 4.36Å; V43-L47 WeakPolarHBondContact O-CG 3.49Å; V43-L47 PolarHBondContact O-N 2.89Å |
| 44 | K | 95.3 | Very high | 91.6 | Very high | 76 Ų | 76 | 70.6 Ų | 70.6 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.6 | -38.3 | 175.8 | -77.1 | -178.5 | -59.1 | -176.9 | 0 | 112.1 | M40 S41 L42 C48 I62 | M40-K44 WeakPolarHBondContact O-CG 3.36Å; M40-K44 PolarHBondContact O-N 2.89Å; S41-K44 PolarHBondContact O-N 3.44Å; L42-K44 PolarHBondContact O-N 3.06Å; K44-C48 VanDerWaalsContact O-CB 3.3Å; K44-C48 WeakPolarHBondContact O-CB 3.42Å; K44-C48 PolarHBondContact O-N 3.41Å; K44-I62 HydrophobicContact CB-CD1 3.96Å; K44-I62 HydrophobicContact CB-CG1 4.39Å; K44-I62 HydrophobicContact CB-CG2 4.22Å |
| 45 | L | 93.7 | Very high | 91.4 | Very high | 6 Ų | 6 | 74.6 Ų | 74.6 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.3 | -45.3 | 179.6 | -168.8 | 58 | 0 | 0 | 0 | 111.3 | S41 L42 V43 C48 H49 I62 T98 | S41-L45 WeakPolarHBondContact O-CB 3.37Å; S41-L45 PolarHBondContact O-N 3.43Å; L42-L45 WeakPolarHBondContact O-CB 3.4Å; L42-L45 PolarHBondContact O-N 3.22Å; V43-L45 VanDerWaalsContact C-N 3.26Å; V43-L45 PolarHBondContact O-N 3.19Å; L45-C48 VanDerWaalsContact O-CB 3.27Å; L45-C48 WeakPolarHBondContact O-CB 3.37Å; L45-C48 PolarHBondContact O-N 3.39Å; L45-H49 PolarHBondContact O-CD2 2.97Å; L45-H49 PolarHBondContact O-N 3.48Å; L45-H49 VanDerWaalsContact O-N 3.1Å; L45-I62 HydrophobicContact CB-CG2 3.74Å; L45-I62 HydrophobicContact CD1-CB 4.3Å; L45-I62 HydrophobicContact CD1-CG2 4.07Å; L45-I62 HydrophobicContact CG-CG2 4.4Å; L45-T98 HydrophobicContact CD2-CG2 3.44Å; L45-T98 VanDerWaalsContact CD2-CG2 3.44Å; L45-T98 HydrophobicContact CG-CG2 4.01Å |
| 46 | Q | 92.3 | Very high | 91.2 | Very high | 76 Ų | 76 | 77.8 Ų | 77.8 | 36% | 0.355 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.5 | -50.3 | 174 | -72.2 | 168.9 | -6.9 | 0 | 0 | 111.4 | L42 V43 C48 H49 M50 L95 | L42-Q46 WeakPolarHBondContact O-CG 3.45Å; L42-Q46 PolarHBondContact O-N 3.48Å; V43-Q46 PolarHBondContact O-N 2.88Å; Q46-C48 VanDerWaalsContact C-N 3.29Å; Q46-C48 PolarHBondContact O-N 2.88Å; Q46-H49 PolarHBondContact O-N 2.66Å; Q46-H49 VanDerWaalsContact O-N 3.12Å; Q46-M50 WeakPolarHBondContact O-CG 3.47Å; Q46-M50 PolarHBondContact O-N 2.87Å; Q46-M50 VanDerWaalsContact O-N 3.16Å; Q46-L95 HydrophobicContact CG-CD1 4.35Å; Q46-L95 HydrophobicContact CG-CD2 3.67Å; Q46-L95 HydrophobicContact CG-CG 4.24Å |
| 47 | L | 92.3 | Very high | 91.2 | Very high | 105 Ų | 105 | 78.3 Ų | 78.3 | 55% | 0.55 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 177.7 | -68.3 | 175.9 | 0 | 0 | 0 | 111.6 | V43 H49 M50 L51 | V43-L47 HydrophobicContact CG1-CD1 3.99Å; V43-L47 HydrophobicContact CG1-CG 4.36Å; V43-L47 WeakPolarHBondContact O-CG 3.49Å; V43-L47 PolarHBondContact O-N 2.89Å; L47-H49 PolarHBondContact O-N 3.4Å; L47-M50 PolarHBondContact O-N 2.91Å; L47-L51 PolarHBondContact O-N 3.22Å |
| 48 | C | 88.5 | Confident | 91.1 | Very high | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -56.3 | -39.6 | 174.8 | -130.5 | 0 | 0 | 0 | 0 | 111.9 | K44 L45 Q46 M50 P54 R58 I62 | K44-C48 VanDerWaalsContact O-CB 3.3Å; K44-C48 WeakPolarHBondContact O-CB 3.42Å; K44-C48 PolarHBondContact O-N 3.41Å; L45-C48 VanDerWaalsContact O-CB 3.27Å; L45-C48 WeakPolarHBondContact O-CB 3.37Å; L45-C48 PolarHBondContact O-N 3.39Å; Q46-C48 VanDerWaalsContact C-N 3.29Å; Q46-C48 PolarHBondContact O-N 2.88Å; C48-M50 VanDerWaalsContact C-N 3.33Å; C48-P54 WeakPolarHBondContact O-CB 3.41Å; C48-R58 PolarHBondContact SG-NH1 3.41Å; C48-I62 HydrophobicContact CB-CD1 4.29Å |
| 49 | H | 85.9 | Confident | 90.9 | Very high | 51 Ų | 51 | 80.1 Ų | 80.1 | 24% | 0.236 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -78.3 | -16.9 | 179.2 | -64.3 | 176.4 | 0 | 0 | 0 | 113.7 | L45 Q46 L47 R94 | L45-H49 PolarHBondContact O-CD2 2.97Å; L45-H49 PolarHBondContact O-N 3.48Å; L45-H49 VanDerWaalsContact O-N 3.1Å; Q46-H49 PolarHBondContact O-N 2.66Å; Q46-H49 VanDerWaalsContact O-N 3.12Å; L47-H49 PolarHBondContact O-N 3.4Å; H49-R94 VanDerWaalsContact O-CZ 3.25Å; H49-R94 PolarHBondContact O-NH1 2.97Å; H49-R94 PolarHBondContact O-NH2 3.26Å |
| 50 | M | 86 | Confident | 90.9 | Very high | 135 Ų | 135 | 79.5 Ų | 79.5 | 67% | 0.665 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -89.3 | -14.2 | 178 | -72.5 | -61.9 | -49.2 | 0 | 0 | 113.3 | Q46 L47 C48 | Q46-M50 WeakPolarHBondContact O-CG 3.47Å; Q46-M50 PolarHBondContact O-N 2.87Å; Q46-M50 VanDerWaalsContact O-N 3.16Å; L47-M50 PolarHBondContact O-N 2.91Å; C48-M50 VanDerWaalsContact C-N 3.33Å |
| 51 | L | 87 | Confident | 90.9 | Very high | 97 Ų | 97 | 79.3 Ų | 79.3 | 51% | 0.508 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -64.4 | 146.4 | 173.6 | -69.8 | 166 | 0 | 0 | 0 | 110.6 | L47 E53 | L47-L51 PolarHBondContact O-N 3.22Å; L51-E53 PolarHBondContact O-N 3.04Å; L51-E53 VanDerWaalsContact O-N 3.16Å |
| 52 | V | 81.6 | Confident | 90.9 | Very high | 150 Ų | 150 | 79.6 Ų | 79.6 | 91% | 0.909 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -56.5 | -30.6 | 177.8 | 67.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 53 | E | 81.6 | Confident | 90.9 | Very high | 161 Ų | 161 | 78.2 Ų | 78.2 | 75% | 0.752 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -135.5 | 107.3 | 170.9 | -68.6 | -170.9 | 155.8 | 0 | 0 | 110.6 | L51 N55 | L51-E53 PolarHBondContact O-N 3.04Å; L51-E53 VanDerWaalsContact O-N 3.16Å; E53-N55 PolarHBondContact O-N 3.19Å |
| 54 | P | 80.4 | Confident | 91 | Very high | 76 Ų | 76 | 78.2 Ų | 78.2 | 49% | 0.494 | 41% | 0.414 | S | S | . | . | trans | -73.1 | 121.5 | 175.9 | 27.5 | -32.2 | 0 | 0 | 0 | 110.6 | C48 L56 | C48-P54 WeakPolarHBondContact O-CB 3.41Å; P54-L56 PolarHBondContact O-N 3.37Å | ||
| 55 | N | 88.7 | Confident | 91.1 | Very high | 93 Ų | 93 | 77.5 Ų | 77.5 | 50% | 0.497 | 42% | 0.416 | S | S | . | . | trans | -74.8 | 117.7 | 173.8 | -178.2 | -75.8 | 0 | 0 | 0 | 110.6 | E53 C57 R58 S59 | E53-N55 PolarHBondContact O-N 3.19Å; N55-C57 VanDerWaalsContact C-N 3.34Å; N55-C57 PolarHBondContact O-N 2.92Å; N55-C57 WeakPolarHBondContact OD1-CA 3.31Å; N55-C57 VanDerWaalsContact OD1-CB 3.24Å; N55-C57 WeakPolarHBondContact OD1-CB 3.35Å; N55-C57 PolarHBondContact OD1-N 2.7Å; N55-R58 HydrophobicContact CB-CB 3.97Å; N55-R58 PolarHBondContact O-N 3.48Å; N55-R58 VanDerWaalsContact O-N 3.16Å; N55-R58 PolarHBondContact OD1-N 2.9Å; N55-S59 PolarHBondContact O-N 2.99Å; N55-S59 PolarHBondContact O-OG 3.26Å | ||
| 56 | L | 92.1 | Very high | 91.2 | Very high | 135 Ų | 135 | 77.2 Ų | 77.2 | 71% | 0.707 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -57.6 | -44.1 | -178.4 | -180 | 64.3 | 0 | 0 | 0 | 112.5 | P54 R58 S59 V60 | P54-L56 PolarHBondContact O-N 3.37Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 2.91Å; L56-S59 PolarHBondContact O-N 2.9Å; L56-V60 HydrophobicContact CD1-CG2 3.88Å; L56-V60 HydrophobicContact CG-CG2 4.2Å; L56-V60 WeakPolarHBondContact O-CB 3.45Å; L56-V60 VanDerWaalsContact O-CG2 3.25Å; L56-V60 WeakPolarHBondContact O-CG2 3.25Å; L56-V60 PolarHBondContact O-N 3.5Å |
| 57 | C | 94.5 | Very high | 91.4 | Very high | 81 Ų | 81 | 78.1 Ų | 78.1 | 55% | 0.547 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 178.2 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | N55 V60 L61 | N55-C57 VanDerWaalsContact C-N 3.34Å; N55-C57 PolarHBondContact O-N 2.92Å; N55-C57 WeakPolarHBondContact OD1-CA 3.31Å; N55-C57 VanDerWaalsContact OD1-CB 3.24Å; N55-C57 WeakPolarHBondContact OD1-CB 3.35Å; N55-C57 PolarHBondContact OD1-N 2.7Å; C57-V60 PolarHBondContact O-N 3.03Å; C57-L61 WeakPolarHBondContact O-CB 3.49Å; C57-L61 VanDerWaalsContact O-CG 3.25Å; C57-L61 WeakPolarHBondContact O-CG 3.47Å; C57-L61 PolarHBondContact O-N 2.87Å |
| 58 | R | 94.8 | Very high | 91.6 | Very high | 107 Ų | 107 | 77.4 Ų | 77.4 | 40% | 0.404 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 177.2 | -166.3 | 176.8 | -174.2 | -89.1 | 3.2 | 112.1 | C48 N55 L56 L61 I62 | C48-R58 PolarHBondContact SG-NH1 3.41Å; N55-R58 HydrophobicContact CB-CB 3.97Å; N55-R58 PolarHBondContact O-N 3.48Å; N55-R58 VanDerWaalsContact O-N 3.16Å; N55-R58 PolarHBondContact OD1-N 2.9Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 2.91Å; R58-L61 PolarHBondContact O-N 3.05Å; R58-I62 HydrophobicContact CG-CD1 3.88Å; R58-I62 WeakPolarHBondContact O-CD1 3.22Å; R58-I62 WeakPolarHBondContact O-CG1 3.36Å; R58-I62 PolarHBondContact O-N 3.44Å |
| 59 | S | 93.4 | Very high | 91.9 | Very high | 17 Ų | 17 | 77.9 Ų | 77.9 | 12% | 0.119 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 178.9 | -63 | 0 | 0 | 0 | 0 | 112.2 | N55 L56 I62 A63 | N55-S59 PolarHBondContact O-N 2.99Å; N55-S59 PolarHBondContact O-OG 3.26Å; L56-S59 PolarHBondContact O-N 2.9Å; S59-I62 PolarHBondContact O-N 3.23Å; S59-A63 VanDerWaalsContact O-CB 3.28Å; S59-A63 WeakPolarHBondContact O-CB 3.27Å; S59-A63 PolarHBondContact O-N 3.34Å |
| 60 | V | 95.9 | Very high | 92.3 | Very high | 67 Ų | 67 | 77.5 Ų | 77.5 | 41% | 0.406 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 176.8 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | L56 C57 A63 N64 | L56-V60 HydrophobicContact CD1-CG2 3.88Å; L56-V60 HydrophobicContact CG-CG2 4.2Å; L56-V60 WeakPolarHBondContact O-CB 3.45Å; L56-V60 VanDerWaalsContact O-CG2 3.25Å; L56-V60 WeakPolarHBondContact O-CG2 3.25Å; L56-V60 PolarHBondContact O-N 3.5Å; C57-V60 PolarHBondContact O-N 3.03Å; V60-A63 PolarHBondContact O-N 3.17Å; V60-N64 WeakPolarHBondContact CG1-ND2 3.3Å; V60-N64 VanDerWaalsContact O-CB 3.27Å; V60-N64 WeakPolarHBondContact O-CB 3.28Å; V60-N64 VanDerWaalsContact O-CG 3.22Å; V60-N64 PolarHBondContact O-N 3.48Å; V60-N64 PolarHBondContact O-ND2 3.42Å |
| 61 | L | 97.1 | Very high | 92.6 | Very high | 105 Ų | 105 | 74.6 Ų | 74.6 | 55% | 0.55 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 175.9 | -75.3 | 171 | 0 | 0 | 0 | 111.3 | C57 R58 A63 N64 T65 | C57-L61 WeakPolarHBondContact O-CB 3.49Å; C57-L61 VanDerWaalsContact O-CG 3.25Å; C57-L61 WeakPolarHBondContact O-CG 3.47Å; C57-L61 PolarHBondContact O-N 2.87Å; R58-L61 PolarHBondContact O-N 3.05Å; L61-A63 PolarHBondContact O-N 3.09Å; L61-N64 PolarHBondContact O-N 3.23Å; L61-T65 PolarHBondContact O-N 2.9Å; L61-T65 PolarHBondContact O-OG1 2.86Å |
| 62 | I | 96.4 | Very high | 92.9 | Very high | 9 Ų | 9 | 72.8 Ų | 72.8 | 5% | 0.046 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 179.7 | -64.2 | 161.5 | 0 | 0 | 0 | 110.7 | S41 K44 L45 C48 R58 S59 N64 T65 V66 | S41-I62 WeakPolarHBondContact O-CG2 3.38Å; K44-I62 HydrophobicContact CB-CD1 3.96Å; K44-I62 HydrophobicContact CB-CG1 4.39Å; K44-I62 HydrophobicContact CB-CG2 4.22Å; L45-I62 HydrophobicContact CB-CG2 3.74Å; L45-I62 HydrophobicContact CD1-CB 4.3Å; L45-I62 HydrophobicContact CD1-CG2 4.07Å; L45-I62 HydrophobicContact CG-CG2 4.4Å; C48-I62 HydrophobicContact CB-CD1 4.29Å; R58-I62 HydrophobicContact CG-CD1 3.88Å; R58-I62 WeakPolarHBondContact O-CD1 3.22Å; R58-I62 WeakPolarHBondContact O-CG1 3.36Å; R58-I62 PolarHBondContact O-N 3.44Å; S59-I62 PolarHBondContact O-N 3.23Å; I62-N64 VanDerWaalsContact C-N 3.35Å; I62-N64 PolarHBondContact O-N 3.32Å; I62-T65 PolarHBondContact O-N 3.5Å; I62-V66 WeakPolarHBondContact O-CG2 3.39Å; I62-V66 PolarHBondContact O-N 3.42Å |
| 63 | A | 95.7 | Very high | 93.3 | Very high | 28 Ų | 28 | 66 Ų | 66 | 23% | 0.231 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S59 V60 L61 V66 R67 | S59-A63 VanDerWaalsContact O-CB 3.28Å; S59-A63 WeakPolarHBondContact O-CB 3.27Å; S59-A63 PolarHBondContact O-N 3.34Å; V60-A63 PolarHBondContact O-N 3.17Å; L61-A63 PolarHBondContact O-N 3.09Å; A63-V66 PolarHBondContact O-N 3.29Å; A63-R67 WeakPolarHBondContact O-CB 3.25Å; A63-R67 PolarHBondContact O-N 2.93Å |
| 64 | N | 96.9 | Very high | 93.6 | Very high | 68 Ų | 68 | 60.7 Ų | 60.7 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 175.2 | -76.7 | -24.4 | 0 | 0 | 0 | 112 | V60 L61 I62 R67 Q68 | V60-N64 WeakPolarHBondContact CG1-ND2 3.3Å; V60-N64 VanDerWaalsContact O-CB 3.27Å; V60-N64 WeakPolarHBondContact O-CB 3.28Å; V60-N64 VanDerWaalsContact O-CG 3.22Å; V60-N64 PolarHBondContact O-N 3.48Å; V60-N64 PolarHBondContact O-ND2 3.42Å; L61-N64 PolarHBondContact O-N 3.23Å; I62-N64 VanDerWaalsContact C-N 3.35Å; I62-N64 PolarHBondContact O-N 3.32Å; N64-R67 PolarHBondContact O-N 3.24Å; N64-R67 PolarHBondContact OD1-NH2 3.49Å; N64-Q68 WeakPolarHBondContact O-CB 3.43Å; N64-Q68 PolarHBondContact O-N 2.95Å |
| 65 | T | 97.2 | Very high | 93.9 | Very high | 61 Ų | 61 | 64.5 Ų | 64.5 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 173.4 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | L61 I62 Q68 I69 | L61-T65 PolarHBondContact O-N 2.9Å; L61-T65 PolarHBondContact O-OG1 2.86Å; I62-T65 PolarHBondContact O-N 3.5Å; T65-Q68 PolarHBondContact O-N 2.72Å; T65-I69 HydrophobicContact CG2-CD1 3.82Å; T65-I69 HydrophobicContact CG2-CG1 4.49Å; T65-I69 VanDerWaalsContact O-CG1 3.3Å; T65-I69 WeakPolarHBondContact O-CG1 3.45Å; T65-I69 PolarHBondContact O-N 2.92Å |
| 66 | V | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.1 | -49.8 | 176 | 167.6 | 0 | 0 | 0 | 0 | 110.6 | L38 L42 I62 A63 I69 Q70 | L38-V66 HydrophobicContact CD1-CB 4.39Å; L38-V66 HydrophobicContact CD1-CG1 3.85Å; L38-V66 HydrophobicContact CD1-CG2 4.43Å; L42-V66 HydrophobicContact CD2-CG1 4.12Å; L42-V66 HydrophobicContact CD2-CG2 4.23Å; I62-V66 WeakPolarHBondContact O-CG2 3.39Å; I62-V66 PolarHBondContact O-N 3.42Å; A63-V66 PolarHBondContact O-N 3.29Å; V66-I69 PolarHBondContact O-N 2.93Å; V66-Q70 WeakPolarHBondContact O-CB 3.39Å; V66-Q70 WeakPolarHBondContact O-CG 3.46Å; V66-Q70 PolarHBondContact O-N 3.02Å |
| 67 | R | 95.9 | Very high | 92.7 | Very high | 95 Ų | 95 | 60.5 Ų | 60.5 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 178.6 | 175.5 | 175.4 | 55.7 | 80.4 | 2.3 | 111.9 | A63 N64 I69 Q70 E71 | A63-R67 WeakPolarHBondContact O-CB 3.25Å; A63-R67 PolarHBondContact O-N 2.93Å; N64-R67 PolarHBondContact O-N 3.24Å; N64-R67 PolarHBondContact OD1-NH2 3.49Å; R67-I69 PolarHBondContact O-N 2.84Å; R67-Q70 PolarHBondContact O-N 3.34Å; R67-E71 WeakPolarHBondContact CD-OE1 3.38Å; R67-E71 HydrophobicContact CG-CG 4.34Å; R67-E71 WeakPolarHBondContact CG-OE1 3.39Å; R67-E71 IonicContact NH1-OE1 3.96Å; R67-E71 PolarHBondContact NH1-OE1 3.47Å; R67-E71 VanDerWaalsContact NH1-OE1 3.09Å; R67-E71 IonicContact NH1-OE2 3.09Å; R67-E71 WeakPolarHBondContact O-CB 3.43Å; R67-E71 WeakPolarHBondContact O-CG 3.42Å; R67-E71 PolarHBondContact O-N 3.2Å |
| 68 | Q | 96.4 | Very high | 91.4 | Very high | 89 Ų | 89 | 60.5 Ų | 60.5 | 42% | 0.416 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.9 | -48.4 | 178.1 | -179 | 64.7 | 35.1 | 0 | 0 | 111.6 | N64 T65 Q70 E71 E72 | N64-Q68 WeakPolarHBondContact O-CB 3.43Å; N64-Q68 PolarHBondContact O-N 2.95Å; T65-Q68 PolarHBondContact O-N 2.72Å; Q68-Q70 VanDerWaalsContact C-N 3.33Å; Q68-Q70 PolarHBondContact O-N 3.34Å; Q68-E71 PolarHBondContact O-N 3.5Å; Q68-E72 WeakPolarHBondContact O-CG 3.37Å; Q68-E72 PolarHBondContact O-N 3.48Å |
| 69 | I | 94.9 | Very high | 90.2 | Very high | 11 Ų | 11 | 59.3 Ų | 59.3 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.5 | -40.8 | -179.6 | -66.7 | 167.6 | 0 | 0 | 0 | 110.5 | R34 L37 L38 T65 V66 R67 E72 M73 | R34-I69 HydrophobicContact CB-CG2 4Å; L37-I69 HydrophobicContact CB-CD1 3.84Å; L38-I69 HydrophobicContact CB-CG2 4.07Å; T65-I69 HydrophobicContact CG2-CD1 3.82Å; T65-I69 HydrophobicContact CG2-CG1 4.49Å; T65-I69 VanDerWaalsContact O-CG1 3.3Å; T65-I69 WeakPolarHBondContact O-CG1 3.45Å; T65-I69 PolarHBondContact O-N 2.92Å; V66-I69 PolarHBondContact O-N 2.93Å; R67-I69 PolarHBondContact O-N 2.84Å; I69-E72 PolarHBondContact O-N 3.29Å; I69-M73 HydrophobicContact CG2-CE 3.89Å; I69-M73 HydrophobicContact CG2-CG 4.21Å; I69-M73 HydrophobicContact CG2-SD 4.05Å; I69-M73 WeakPolarHBondContact O-CB 3.46Å; I69-M73 WeakPolarHBondContact O-CG 3.38Å; I69-M73 PolarHBondContact O-N 3.04Å |
| 70 | Q | 93.9 | Very high | 88.7 | Confident | 43 Ų | 43 | 68.9 Ų | 68.9 | 20% | 0.201 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 176.4 | -73.9 | 176.3 | -10.3 | 0 | 0 | 112.3 | L38 V66 R67 Q68 M73 T74 | L38-Q70 HydrophobicContact CD1-CG 4.02Å; L38-Q70 HydrophobicContact CD2-CG 4.34Å; V66-Q70 WeakPolarHBondContact O-CB 3.39Å; V66-Q70 WeakPolarHBondContact O-CG 3.46Å; V66-Q70 PolarHBondContact O-N 3.02Å; R67-Q70 PolarHBondContact O-N 3.34Å; Q68-Q70 VanDerWaalsContact C-N 3.33Å; Q68-Q70 PolarHBondContact O-N 3.34Å; Q70-M73 PolarHBondContact O-N 2.98Å; Q70-T74 WeakPolarHBondContact O-CB 3.32Å; Q70-T74 PolarHBondContact O-N 3.3Å; Q70-T74 PolarHBondContact O-OG1 2.94Å |
| 71 | E | 94 | Very high | 86.9 | Confident | 74 Ų | 74 | 69.3 Ų | 69.3 | 35% | 0.346 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 174.2 | -74 | 168.9 | -164.1 | 0 | 0 | 110.6 | R67 Q68 T74 Q75 | R67-E71 WeakPolarHBondContact CD-OE1 3.38Å; R67-E71 HydrophobicContact CG-CG 4.34Å; R67-E71 WeakPolarHBondContact CG-OE1 3.39Å; R67-E71 IonicContact NH1-OE1 3.96Å; R67-E71 PolarHBondContact NH1-OE1 3.47Å; R67-E71 VanDerWaalsContact NH1-OE1 3.09Å; R67-E71 IonicContact NH1-OE2 3.09Å; R67-E71 WeakPolarHBondContact O-CB 3.43Å; R67-E71 WeakPolarHBondContact O-CG 3.42Å; R67-E71 PolarHBondContact O-N 3.2Å; Q68-E71 PolarHBondContact O-N 3.5Å; E71-T74 PolarHBondContact O-N 3.04Å; E71-Q75 WeakPolarHBondContact O-CG 3.35Å; E71-Q75 PolarHBondContact O-N 3.17Å |
| 72 | E | 93 | Very high | 84.7 | Confident | 58 Ų | 58 | 70.4 Ų | 70.4 | 27% | 0.271 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 177.5 | -71.1 | -178.2 | 106.1 | 0 | 0 | 112.3 | Y30 R34 Q68 I69 T74 Q75 D76 | Y30-E72 PolarHBondContact OH-OE1 3.36Å; R34-E72 PolarHBondContact NH1-O 2.88Å; R34-E72 VanDerWaalsContact NH1-O 3.12Å; Q68-E72 WeakPolarHBondContact O-CG 3.37Å; Q68-E72 PolarHBondContact O-N 3.48Å; I69-E72 PolarHBondContact O-N 3.29Å; E72-T74 PolarHBondContact O-N 3.37Å; E72-Q75 PolarHBondContact O-N 2.84Å; E72-D76 PolarHBondContact O-N 2.97Å |
| 73 | M | 90 | Very high | 81.9 | Confident | 7 Ų | 7 | 73.4 Ų | 73.4 | 3% | 0.034 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.4 | -30.1 | 177.7 | -72.9 | -179.6 | 162.9 | 0 | 0 | 113 | R34 Q35 L38 I69 Q70 T78 W79 | R34-M73 HydrophobicContact CB-CE 3.49Å; R34-M73 VanDerWaalsContact CB-CE 3.49Å; R34-M73 HydrophobicContact CB-CG 4.32Å; R34-M73 WeakPolarHBondContact O-CE 3.36Å; Q35-M73 HydrophobicContact CB-CE 3.9Å; L38-M73 HydrophobicContact CB-CE 4.44Å; L38-M73 HydrophobicContact CD2-CE 4.34Å; L38-M73 HydrophobicContact CD2-SD 4.08Å; I69-M73 HydrophobicContact CG2-CE 3.89Å; I69-M73 HydrophobicContact CG2-CG 4.21Å; I69-M73 HydrophobicContact CG2-SD 4.05Å; I69-M73 WeakPolarHBondContact O-CB 3.46Å; I69-M73 WeakPolarHBondContact O-CG 3.38Å; I69-M73 PolarHBondContact O-N 3.04Å; Q70-M73 PolarHBondContact O-N 2.98Å; M73-T78 PolarHBondContact O-N 3.24Å; M73-W79 HydrophobicContact CB-CB 3.9Å; M73-W79 HydrophobicContact CB-CE3 4.3Å; M73-W79 HydrophobicContact CB-CG 4.4Å; M73-W79 WeakPolarHBondContact O-CB 3.38Å; M73-W79 PolarHBondContact O-N 3.42Å; M73-W79 VanDerWaalsContact O-N 3.1Å; M73-W79 HydrophobicContact SD-CD2 4.4Å; M73-W79 HydrophobicContact SD-CE3 3.49Å; M73-W79 HydrophobicContact SD-CZ3 3.73Å |
| 74 | T | 88.1 | Confident | 79.5 | Confident | 50 Ų | 50 | 76 Ų | 76 | 31% | 0.307 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -78.1 | -37.1 | 178 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | Q70 E71 E72 D76 G77 W106 | Q70-T74 WeakPolarHBondContact O-CB 3.32Å; Q70-T74 PolarHBondContact O-N 3.3Å; Q70-T74 PolarHBondContact O-OG1 2.94Å; E71-T74 PolarHBondContact O-N 3.04Å; E72-T74 PolarHBondContact O-N 3.37Å; T74-D76 PolarHBondContact O-N 3.02Å; T74-G77 PolarHBondContact O-N 3.47Å; T74-W106 HydrophobicContact CG2-CH2 3.83Å |
| 75 | Q | 86.8 | Confident | 76.6 | Confident | 157 Ų | 157 | 81.6 Ų | 81.6 | 73% | 0.734 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -59.4 | -35.5 | 172.2 | -74.5 | -178.8 | 65.2 | 0 | 0 | 112.2 | E71 E72 G77 | E71-Q75 WeakPolarHBondContact O-CG 3.35Å; E71-Q75 PolarHBondContact O-N 3.17Å; E72-Q75 PolarHBondContact O-N 2.84Å; Q75-G77 PolarHBondContact O-N 2.93Å |
| 76 | D | 82.3 | Confident | 74 | Confident | 80 Ų | 80 | 83.5 Ų | 83.5 | 43% | 0.428 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 0.2 | 177.5 | -65.8 | -20.2 | 0 | 0 | 0 | 114 | R34 E72 T74 T78 | R34-D76 IonicContact CZ-OD2 2.71Å; R34-D76 IonicContact NH1-OD2 3.6Å; R34-D76 PolarHBondContact NH1-OD2 3.27Å; R34-D76 IonicContact NH2-OD2 3.7Å; R34-D76 PolarHBondContact NH2-OD2 2.94Å; E72-D76 PolarHBondContact O-N 2.97Å; T74-D76 PolarHBondContact O-N 3.02Å; D76-T78 PolarHBondContact O-N 3.02Å; D76-T78 PolarHBondContact O-OG1 3.37Å |
| 77 | G | 72.8 | Confident | 71.1 | Confident | 64 Ų | 64 | 88.4 Ų | 88.4 | 66% | 0.66 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 4.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T74 Q75 | T74-G77 PolarHBondContact O-N 3.47Å; Q75-G77 PolarHBondContact O-N 2.93Å |
| 78 | T | 67.3 | Low | 68.1 | Low | 80 Ų | 80 | 87.4 Ų | 87.4 | 49% | 0.491 | 52% | 0.52 | S | S | . | . | trans | -80.5 | -25.2 | -178.9 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | M73 D76 R80 | M73-T78 PolarHBondContact O-N 3.24Å; D76-T78 PolarHBondContact O-N 3.02Å; D76-T78 PolarHBondContact O-OG1 3.37Å; T78-R80 PolarHBondContact O-N 3.38Å | ||
| 79 | W | 69.4 | Low | 65.7 | Low | 83 Ų | 83 | 95.1 Ų | 95.1 | 31% | 0.314 | 55% | 0.546 | S | S | . | . | trans | -73.5 | 109.1 | 175.7 | -167.4 | -117.7 | 0 | 0 | 0 | 111.4 | L38 M73 | L38-W79 HydrophobicContact CD2-CH2 3.55Å; L38-W79 HydrophobicContact CD2-CZ3 3.61Å; M73-W79 HydrophobicContact CB-CB 3.9Å; M73-W79 HydrophobicContact CB-CE3 4.3Å; M73-W79 HydrophobicContact CB-CG 4.4Å; M73-W79 WeakPolarHBondContact O-CB 3.38Å; M73-W79 PolarHBondContact O-N 3.42Å; M73-W79 VanDerWaalsContact O-N 3.1Å; M73-W79 HydrophobicContact SD-CD2 4.4Å; M73-W79 HydrophobicContact SD-CE3 3.49Å; M73-W79 HydrophobicContact SD-CZ3 3.73Å | ||
| 80 | R | 61.8 | Low | 62.9 | Low | 218 Ų | 218 | 98.7 Ų | 98.7 | 82% | 0.823 | 58% | 0.577 | S | S | * | * | trans | -85.9 | 108.7 | 159.2 | -70.2 | -156.4 | -170.9 | -82 | 0.5 | 107.6 | T78 V82 | T78-R80 PolarHBondContact O-N 3.38Å; R80-V82 VanDerWaalsContact C-N 3.33Å; R80-V82 PolarHBondContact O-N 2.92Å | ||
| 81 | A | 57.6 | Low | 60.6 | Low | 76 Ų | 76 | 102.5 Ų | 102.5 | 63% | 0.628 | 61% | 0.605 | S | S | * | * | trans | -57.5 | 101 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108 | A83 | A81-A83 VanDerWaalsContact C-N 3.29Å; A81-A83 PolarHBondContact O-N 3.21Å | ||
| 82 | V | 52.1 | Low | 58.3 | Low | 127 Ų | 127 | 103.8 Ų | 103.8 | 77% | 0.77 | 61% | 0.614 | S | S | * | * | trans | -65.4 | 99.3 | 166.5 | 168.6 | 0 | 0 | 0 | 0 | 105.7 | R80 | R80-V82 VanDerWaalsContact C-N 3.33Å; R80-V82 PolarHBondContact O-N 2.92Å | ||
| 83 | A | 38.2 | Very low | 55.9 | Low | 72 Ų | 72 | 107.9 Ų | 107.9 | 60% | 0.595 | 64% | 0.638 | S | S | * | * | trans | -56.6 | 131.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | A81 Q85 | A81-A83 VanDerWaalsContact C-N 3.29Å; A81-A83 PolarHBondContact O-N 3.21Å; A83-Q85 PolarHBondContact O-N 3.24Å | ||
| 84 | P | 45.2 | Very low | 53.9 | Low | 83 Ų | 83 | 114.6 Ų | 114.6 | 54% | 0.539 | 66% | 0.663 | S | S | . | * | trans | -65.7 | 105.5 | -178.5 | -13.7 | 26.9 | 0 | 0 | 0 | 108.8 | A86 | P84-A86 PolarHBondContact O-N 3.06Š| ||
| 85 | Q | 35.7 | Very low | 52.1 | Low | 185 Ų | 185 | 115 Ų | 115 | 86% | 0.864 | 66% | 0.663 | S | S | * | * | trans | -71.5 | 111 | 164.4 | -73 | -74.1 | 30.6 | 0 | 0 | 107.1 | A83 A87 | A83-Q85 PolarHBondContact O-N 3.24Å; Q85-A87 PolarHBondContact O-N 3.31Å | ||
| 86 | A | 41.2 | Very low | 50.4 | Low | 102 Ų | 102 | 110.2 Ų | 110.2 | 84% | 0.843 | 64% | 0.644 | S | S | * | * | trans | -61.2 | 100.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | P84 | P84-A86 PolarHBondContact O-N 3.06Š| ||
| 87 | A | 36.4 | Very low | 48.8 | Very low | 102 Ų | 102 | 109.9 Ų | 109.9 | 84% | 0.843 | 65% | 0.648 | S | S | * | * | trans | -164.6 | 111.8 | 157 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q85 | Q85-A87 PolarHBondContact O-N 3.31Š| ||
| 88 | G | 32.9 | Very low | 47.9 | Very low | 74 Ų | 74 | 107.5 Ų | 107.5 | 76% | 0.763 | 62% | 0.62 | S | S | * | * | trans | 118.3 | 98.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 89 | R | 46.8 | Very low | 47.3 | Very low | 251 Ų | 251 | 106.9 Ų | 106.9 | 95% | 0.947 | 61% | 0.612 | S | S | * | * | trans | -74.4 | 139.7 | 177.9 | -79.9 | -178 | 165.8 | -158.7 | -4.2 | 112.6 | ||||
| 90 | A | 35.7 | Very low | 46.7 | Very low | 86 Ų | 86 | 107.9 Ų | 107.9 | 71% | 0.711 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 91.6 | 141.6 | 156.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 91 | P | 46.6 | Very low | 46.3 | Very low | 123 Ų | 123 | 103.9 Ų | 103.9 | 80% | 0.799 | 62% | 0.617 | S | S | * | * | S | Bend | cis | -102.5 | 68.8 | -14.9 | 36.9 | -22.9 | 0 | 0 | 0 | 110.3 | ||
| 92 | L | 45.2 | Very low | 46 | Very low | 102 Ų | 102 | 102 Ų | 102 | 53% | 0.534 | 60% | 0.598 | S | S | . | * | trans | -89.1 | -3.4 | 174.5 | -77.5 | 160.4 | 0 | 0 | 0 | 113.1 | R94 L95 V96 | L92-R94 PolarHBondContact O-N 3.2Å; L92-L95 HydrophobicContact CD2-CB 4.29Å; L92-L95 HydrophobicContact CD2-CD1 3.99Å; L92-L95 WeakPolarHBondContact O-CA 3.18Å; L92-L95 PolarHBondContact O-N 3.44Å; L92-V96 WeakPolarHBondContact O-CG2 3.43Å; L92-V96 PolarHBondContact O-N 2.9Å | ||
| 93 | D | 41.6 | Very low | 45.8 | Very low | 143 Ų | 143 | 101.4 Ų | 101.4 | 77% | 0.765 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -57.9 | -27.5 | -175 | -101.6 | -10.5 | 0 | 0 | 0 | 113.4 | ||
| 94 | R | 47.9 | Very low | 45.7 | Very low | 149 Ų | 149 | 102 Ų | 102 | 56% | 0.562 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -85.1 | -14.1 | 177.4 | -134.1 | -180 | 169.7 | -146.1 | -8.8 | 114.1 | H49 L92 | H49-R94 VanDerWaalsContact O-CZ 3.25Å; H49-R94 PolarHBondContact O-NH1 2.97Å; H49-R94 PolarHBondContact O-NH2 3.26Å; L92-R94 PolarHBondContact O-N 3.2Å |
| 95 | L | 50.6 | Low | 45.3 | Very low | 58 Ų | 58 | 102.2 Ų | 102.2 | 30% | 0.304 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -97.6 | -29.6 | 177.1 | -88.5 | 155.1 | 0 | 0 | 0 | 112.9 | Q46 L92 S97 T98 E99 | Q46-L95 HydrophobicContact CG-CD1 4.35Å; Q46-L95 HydrophobicContact CG-CD2 3.67Å; Q46-L95 HydrophobicContact CG-CG 4.24Å; L92-L95 HydrophobicContact CD2-CB 4.29Å; L92-L95 HydrophobicContact CD2-CD1 3.99Å; L92-L95 WeakPolarHBondContact O-CA 3.18Å; L92-L95 PolarHBondContact O-N 3.44Å; L95-S97 PolarHBondContact O-N 3.47Å; L95-T98 WeakPolarHBondContact CA-OG1 3.42Å; L95-T98 PolarHBondContact O-N 2.92Å; L95-T98 PolarHBondContact O-OG1 3.46Å; L95-E99 PolarHBondContact O-N 3.48Å |
| 96 | V | 50.8 | Low | 45.4 | Very low | 57 Ų | 57 | 102.7 Ų | 102.7 | 35% | 0.345 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.4 | -33.3 | 172.5 | 177 | 0 | 0 | 0 | 0 | 110.5 | L92 T98 E99 I100 | L92-V96 WeakPolarHBondContact O-CG2 3.43Å; L92-V96 PolarHBondContact O-N 2.9Å; V96-T98 PolarHBondContact O-N 3.05Å; V96-E99 HydrophobicContact CG1-CG 4.4Å; V96-E99 WeakPolarHBondContact O-CG 3.43Å; V96-E99 PolarHBondContact O-N 3.23Å; V96-E99 VanDerWaalsContact O-N 3.11Å; V96-I100 HydrophobicContact CG1-CD1 4.36Å; V96-I100 WeakPolarHBondContact O-CG1 3.25Å; V96-I100 PolarHBondContact O-N 3.03Å |
| 97 | S | 49.7 | Very low | 45.4 | Very low | 72 Ų | 72 | 106.6 Ų | 106.6 | 50% | 0.503 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.6 | -30.3 | 172.8 | -64.2 | 0 | 0 | 0 | 0 | 113 | L95 L101 | L95-S97 PolarHBondContact O-N 3.47Å; S97-L101 WeakPolarHBondContact O-CG 3.4Å |
| 98 | T | 53.5 | Low | 45.3 | Very low | 14 Ų | 14 | 110.5 Ų | 110.5 | 9% | 0.086 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -80.9 | -28 | 174.2 | 22.3 | 0 | 0 | 0 | 0 | 113.9 | L45 L95 V96 I100 L101 C102 | L45-T98 HydrophobicContact CD2-CG2 3.44Å; L45-T98 VanDerWaalsContact CD2-CG2 3.44Å; L45-T98 HydrophobicContact CG-CG2 4.01Å; L95-T98 WeakPolarHBondContact CA-OG1 3.42Å; L95-T98 PolarHBondContact O-N 2.92Å; L95-T98 PolarHBondContact O-OG1 3.46Å; V96-T98 PolarHBondContact O-N 3.05Å; T98-I100 VanDerWaalsContact C-N 3.3Å; T98-L101 PolarHBondContact O-N 2.87Å; T98-C102 PolarHBondContact O-N 3.3Å; T98-C102 PolarHBondContact O-SG 3.3Å |
| 99 | E | 54.5 | Low | 45.3 | Very low | 67 Ų | 67 | 115.8 Ų | 115.8 | 31% | 0.313 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.5 | -39.2 | 172.2 | 103.3 | 173.2 | -120 | 0 | 0 | 110.7 | L95 V96 C102 R103 | L95-E99 PolarHBondContact O-N 3.48Å; V96-E99 HydrophobicContact CG1-CG 4.4Å; V96-E99 WeakPolarHBondContact O-CG 3.43Å; V96-E99 PolarHBondContact O-N 3.23Å; V96-E99 VanDerWaalsContact O-N 3.11Å; E99-C102 PolarHBondContact O-N 3.43Å; E99-R103 WeakPolarHBondContact O-CB 3.21Å; E99-R103 PolarHBondContact O-N 2.93Å; E99-R103 IonicContact OE1-CZ 3.61Å; E99-R103 IonicContact OE1-NE 3.45Å; E99-R103 PolarHBondContact OE1-NE 3.16Å; E99-R103 IonicContact OE1-NH2 2.9Å; E99-R103 PolarHBondContact OE1-NH2 3Å |
| 100 | I | 56.2 | Low | 44.7 | Very low | 104 Ų | 104 | 106.6 Ų | 106.6 | 53% | 0.533 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.8 | -40.8 | -179.3 | -62 | 164.2 | 0 | 0 | 0 | 110.5 | V96 T98 C102 R103 A104 | V96-I100 HydrophobicContact CG1-CD1 4.36Å; V96-I100 WeakPolarHBondContact O-CG1 3.25Å; V96-I100 PolarHBondContact O-N 3.03Å; T98-I100 VanDerWaalsContact C-N 3.3Å; I100-C102 PolarHBondContact O-N 3.37Å; I100-R103 PolarHBondContact O-N 3.36Å; I100-A104 WeakPolarHBondContact O-CB 3.41Å; I100-A104 PolarHBondContact O-N 3.43Å; I100-A104 VanDerWaalsContact O-N 3.1Å |
| 101 | L | 54.9 | Low | 44.6 | Very low | 134 Ų | 134 | 107.4 Ų | 107.4 | 70% | 0.702 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.5 | -29.1 | 176.3 | -69.1 | 173.2 | 0 | 0 | 0 | 113 | S97 T98 | S97-L101 WeakPolarHBondContact O-CG 3.4Å; T98-L101 PolarHBondContact O-N 2.87Å |
| 102 | C | 50.4 | Low | 44 | Very low | 36 Ų | 36 | 107.4 Ų | 107.4 | 24% | 0.243 | 59% | 0.588 | C | S | . | * | H | α-helix | trans | -89.4 | -25 | 177.5 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | T98 E99 I100 | T98-C102 PolarHBondContact O-N 3.3Å; T98-C102 PolarHBondContact O-SG 3.3Å; E99-C102 PolarHBondContact O-N 3.43Å; I100-C102 PolarHBondContact O-N 3.37Å |
| 103 | R | 48 | Very low | 43.6 | Very low | 116 Ų | 116 | 108.4 Ų | 108.4 | 44% | 0.438 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -88.2 | -20.9 | -176.9 | -167.1 | -174.6 | -64.4 | -82.6 | 6 | 114.2 | E99 I100 A105 W106 | E99-R103 WeakPolarHBondContact O-CB 3.21Å; E99-R103 PolarHBondContact O-N 2.93Å; E99-R103 IonicContact OE1-CZ 3.61Å; E99-R103 IonicContact OE1-NE 3.45Å; E99-R103 PolarHBondContact OE1-NE 3.16Å; E99-R103 IonicContact OE1-NH2 2.9Å; E99-R103 PolarHBondContact OE1-NH2 3Å; I100-R103 PolarHBondContact O-N 3.36Å; R103-A105 PolarHBondContact O-N 2.94Å; R103-W106 PolarHBondContact O-N 3.45Å |
| 104 | A | 37 | Very low | 43.5 | Very low | 85 Ų | 85 | 106 Ų | 106 | 70% | 0.702 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -3.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | I100 | I100-A104 WeakPolarHBondContact O-CB 3.41Å; I100-A104 PolarHBondContact O-N 3.43Å; I100-A104 VanDerWaalsContact O-N 3.1Å |
| 105 | A | 35.3 | Very low | 43.2 | Very low | 86 Ų | 86 | 105.2 Ų | 105.2 | 71% | 0.711 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -17.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R103 | R103-A105 PolarHBondContact O-N 2.94Š|
| 106 | W | 37.6 | Very low | 42.3 | Very low | 196 Ų | 196 | 106.2 Ų | 106.2 | 74% | 0.742 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -112.1 | 1.5 | -162.5 | -73.2 | 11.5 | 0 | 0 | 0 | 116.2 | T74 R103 | T74-W106 HydrophobicContact CG2-CH2 3.83Å; R103-W106 PolarHBondContact O-N 3.45Å |
| 107 | E | 41.5 | Very low | 41.8 | Very low | 183 Ų | 183 | 112 Ų | 112 | 86% | 0.855 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 22.2 | 179.3 | -73.8 | -164.7 | 139.6 | 0 | 0 | 114.7 | ||
| 108 | Q | 33.7 | Very low | 41.1 | Very low | 184 Ų | 184 | 112.2 Ų | 112.2 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | 22.7 | 174.2 | -150.6 | -167.5 | 4.7 | 0 | 0 | 114.6 | ||
| 109 | E | 34.9 | Very low | 40.2 | Very low | 185 Ų | 185 | 119.7 Ų | 119.7 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -159.9 | 103.7 | 165.5 | -163.4 | 63.7 | -105.2 | 0 | 0 | 108.8 | ||
| 110 | G | 34.2 | Very low | 39.3 | Very low | 59 Ų | 59 | 119 Ų | 119 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | trans | 144.5 | 44 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | C112 | G110-C112 VanDerWaalsContact C-N 3.26Å; G110-C112 PolarHBondContact O-N 2.87Å | ||
| 111 | A | 33.5 | Very low | 38.2 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | trans | -62.4 | 95.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | P113 | A111-P113 WeakPolarHBondContact O-CD 3.45Š| ||
| 112 | C | 33.7 | Very low | 37.3 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 123.9 | 173.7 | -68.4 | 0 | 0 | 0 | 0 | 109.9 | G110 | G110-C112 VanDerWaalsContact C-N 3.26Å; G110-C112 PolarHBondContact O-N 2.87Å |
| 113 | P | 36.2 | Very low | 36.7 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 128.7 | 157.6 | 17.5 | -3.2 | 0 | 0 | 0 | 108.7 | A111 | A111-P113 WeakPolarHBondContact O-CD 3.45Š|
| 114 | A | 39.5 | Very low | 35.7 | Very low | 92 Ų | 92 | 129 Ų | 129 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 144.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G116 | A114-G116 PolarHBondContact O-N 3.06Š|
| 115 | P | 40.9 | Very low | 36.2 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 122.5 | 172.2 | -10.2 | 26.3 | 0 | 0 | 0 | 110.2 | ||
| 116 | G | 33.4 | Very low | 36.1 | Very low | 79 Ų | 79 | 133.5 Ų | 133.5 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 148.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A114 | A114-G116 PolarHBondContact O-N 3.06Š|
| 117 | L | 39.9 | Very low | 36.2 | Very low | 179 Ų | 179 | 129 Ų | 129 | 94% | 0.937 | 81% | 0.813 | S | S | * | * | trans | -130.1 | 119.2 | 159.8 | -160 | 73 | 0 | 0 | 0 | 106.9 | ||||
| 118 | G | 35.2 | Very low | 35.7 | Very low | 76 Ų | 76 | 127.3 Ų | 127.3 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | -79.4 | 164.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 119 | D | 34.7 | Very low | 35.6 | Very low | 170 Ų | 170 | 125.6 Ų | 125.6 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | 174.7 | 149.3 | 99.2 | -167.9 | 15.5 | 0 | 0 | 0 | 111 | |||||
| 120 | G | 33.5 | Very low | 35.8 | Very low | 52 Ų | 52 | 122.7 Ų | 122.7 | 54% | 0.536 | 80% | 0.804 | S | S | . | * | trans | 87.6 | 91.1 | 140 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 121 | H | 34 | Very low | 36 | Very low | 184 Ų | 184 | 125.3 Ų | 125.3 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | 67 | 112.5 | 135.2 | -63.6 | -16.7 | 0 | 0 | 0 | 122.2 | ||||
| 122 | T | 36.9 | Very low | 36 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | 179.6 | 160.2 | 107 | 27.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 123 | Q | 36.3 | Very low | 35.8 | Very low | 197 Ų | 197 | 127.5 Ų | 127.5 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -77.3 | 155.4 | -155.8 | -57.5 | 167.7 | 6.3 | 0 | 0 | 116.1 | ||||
| 124 | G | 28.3 | Very low | 35.6 | Very low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | 158.5 | 115.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 125 | P | 47 | Very low | 35.5 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -92.5 | 146.8 | -178.1 | 36.1 | -30.1 | 0 | 0 | 0 | 111.6 | ||||
| 126 | V | 32.4 | Very low | 35.1 | Very low | 145 Ų | 145 | 130 Ų | 130 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | -180 | 129.3 | 118.9 | -91.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 127 | S | 39.6 | Very low | 35 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | -51.2 | 149.1 | 156.6 | -64.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 128 | D | 31.6 | Very low | 35.2 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | -165.9 | 108.4 | 123 | -90.6 | -28.1 | 0 | 0 | 0 | 112.3 | |||||
| 129 | L | 32.1 | Very low | 35 | Very low | 149 Ų | 149 | 136 Ų | 136 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | trans | 57.4 | 108.2 | 131.4 | -55.8 | 170.9 | 0 | 0 | 0 | 120 | ||||
| 130 | C | 38.3 | Very low | 34.9 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -59.5 | 150.5 | 133.5 | -79.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 131 | P | 39.3 | Very low | 35.5 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | -137.7 | 127.4 | 120.8 | 31.9 | -16.7 | 0 | 0 | 0 | 114 | |||||
| 132 | V | 32.2 | Very low | 35.6 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | 27.4 | 117 | 127.4 | 176.9 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 133 | T | 29.4 | Very low | 35.4 | Very low | 140 Ų | 140 | 137 Ų | 137 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | -145.9 | 97.3 | 128.6 | 33 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 134 | S | 33 | Very low | 35.5 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | 75.3 | 119.4 | 93.6 | -161.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 135 | A | 37.1 | Very low | 36 | Very low | 89 Ų | 89 | 134.4 Ų | 134.4 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -59.6 | 150.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 136 | Q | 33.2 | Very low | 35.6 | Very low | 200 Ų | 200 | 140.2 Ų | 140.2 | 94% | 0.935 | 80% | 0.798 | S | S | * | * | -158.7 | 140.7 | 125.7 | -107.4 | 178.9 | 4.7 | 0 | 0 | 112.2 | |||||
| 137 | A | 31.1 | Very low | 35.9 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -85.4 | 176.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 138 | P | 43.1 | Very low | 36.2 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -86.3 | 148.5 | -149.6 | 34.2 | -35.1 | 0 | 0 | 0 | 114.8 | ||||
| 139 | R | 31.8 | Very low | 36.4 | Very low | 246 Ų | 246 | 145.6 Ų | 145.6 | 93% | 0.928 | 81% | 0.805 | S | S | * | * | trans | -143.1 | 114.5 | 159.1 | -67.7 | -148.3 | -70.3 | 132.8 | -8.9 | 112.4 | ||||
| 140 | H | 32.7 | Very low | 37.2 | Very low | 180 Ų | 180 | 141.1 Ų | 141.1 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | trans | -88.1 | 169.6 | 155.3 | -173.3 | -122.2 | 0 | 0 | 0 | 107.8 | ||||
| 141 | P | 46.4 | Very low | 37.6 | Very low | 92 Ų | 92 | 141.7 Ų | 141.7 | 60% | 0.597 | 80% | 0.796 | S | S | * | * | cis | -132.7 | -179.1 | -4 | 10 | 17.6 | 0 | 0 | 0 | 116.2 | ||||
| 142 | Q | 35.6 | Very low | 38.3 | Very low | 189 Ų | 189 | 146.7 Ų | 146.7 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | 94.9 | 109.6 | 152.2 | -53.4 | -153.2 | -54.2 | 0 | 0 | 119.2 | ||||
| 143 | S | 33.7 | Very low | 39.3 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | -157.9 | 121.9 | 124.3 | 66.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 144 | S | 36.9 | Very low | 40.6 | Very low | 99 Ų | 99 | 145.7 Ų | 145.7 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | -61.5 | 126.2 | 170.8 | 139.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 145 | V | 39.6 | Very low | 41.8 | Very low | 117 Ų | 117 | 151.3 Ų | 151.3 | 71% | 0.709 | 78% | 0.784 | S | S | * | * | trans | -120.1 | 85.3 | 159.9 | 153.8 | 0 | 0 | 0 | 0 | 105.2 | E147 | V145-E147 HydrophobicContact CG1-CB 4.42Š| ||
| 146 | W | 38.1 | Very low | 42.7 | Very low | 241 Ų | 241 | 149.1 Ų | 149.1 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | trans | -100.6 | 81.9 | 158.6 | -69.4 | 108.2 | 0 | 0 | 0 | 104.8 | M148 | W146-M148 PolarHBondContact O-N 3.08Š| ||
| 147 | E | 39 | Very low | 44 | Very low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -74.8 | 117.6 | 174.5 | -159 | 163.7 | 157.1 | 0 | 0 | 108 | V145 | V145-E147 HydrophobicContact CG1-CB 4.42Š| ||
| 148 | M | 46.2 | Very low | 45.7 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 84% | 0.842 | 73% | 0.73 | S | S | * | * | trans | -65.3 | 122.1 | 175.9 | 172.5 | 109.2 | 90.1 | 0 | 0 | 109.4 | W146 | W146-M148 PolarHBondContact O-N 3.08Š| ||
| 149 | D | 35.9 | Very low | 46.9 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 88% | 0.877 | 72% | 0.719 | S | S | * | * | trans | -134.3 | 113.4 | 150.6 | -112.3 | -36.3 | 0 | 0 | 0 | 108.9 | ||||
| 150 | G | 48.3 | Very low | 48.7 | Very low | 54 Ų | 54 | 138.6 Ų | 138.6 | 56% | 0.557 | 71% | 0.706 | S | S | * | * | trans | -115 | 135.6 | 176 | 0 | 0 | 0 | 0 | 0 | 109.9 | R152 | G150-R152 PolarHBondContact O-N 3.15Š| ||
| 151 | P | 46.3 | Very low | 50.7 | Low | 135 Ų | 135 | 133 Ų | 133 | 88% | 0.877 | 69% | 0.687 | S | S | * | * | trans | -79 | 107.1 | 163.7 | -1.8 | 19.8 | 0 | 0 | 0 | 108.3 | E153 | P151-E153 PolarHBondContact O-N 2.85Š| ||
| 152 | R | 55.4 | Low | 52.4 | Low | 220 Ų | 220 | 133 Ų | 133 | 83% | 0.83 | 68% | 0.681 | S | S | * | * | trans | -67.7 | 103.3 | 167.3 | -177.6 | -174.9 | -171 | -85.8 | 3.4 | 108.7 | G150 | G150-R152 PolarHBondContact O-N 3.15Š| ||
| 153 | E | 52.8 | Low | 54.4 | Low | 169 Ų | 169 | 127.7 Ų | 127.7 | 79% | 0.79 | 66% | 0.659 | S | S | * | * | trans | -177.2 | 148.2 | 144.9 | -99.4 | 152.2 | 155.7 | 0 | 0 | 109.3 | P151 | P151-E153 PolarHBondContact O-N 2.85Š| ||
| 154 | N | 56.7 | Low | 56.5 | Low | 81 Ų | 81 | 128.4 Ų | 128.4 | 43% | 0.433 | 65% | 0.65 | S | S | . | * | trans | 92.9 | 34.4 | 170.3 | -145.4 | -21.4 | 0 | 0 | 0 | 120.4 | G156 S157 F158 | N154-G156 PolarHBondContact O-N 3.06Å; N154-S157 WeakPolarHBondContact ND2-CB 3.39Å; N154-S157 PolarHBondContact ND2-OG 3.1Å; N154-S157 VanDerWaalsContact OD1-CA 3.27Å; N154-S157 WeakPolarHBondContact OD1-CA 3.39Å; N154-S157 WeakPolarHBondContact OD1-CB 3.36Å; N154-S157 PolarHBondContact OD1-N 3.16Å; N154-S157 PolarHBondContact OD1-OG 3.4Å; N154-F158 HydrophobicContact CB-CE1 3.98Å; N154-F158 HydrophobicContact CB-CZ 3.99Å; N154-F158 WeakPolarHBondContact O-CD2 3.3Å; N154-F158 VanDerWaalsContact O-CE1 3.29Å; N154-F158 WeakPolarHBondContact O-CE1 3.23Å; N154-F158 WeakPolarHBondContact O-CE2 2.9Å; N154-F158 WeakPolarHBondContact O-CG 3.27Å; N154-F158 WeakPolarHBondContact O-CZ 2.78Å | ||
| 155 | R | 57.6 | Low | 58.6 | Low | 229 Ų | 229 | 128.4 Ų | 128.4 | 86% | 0.864 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 7.6 | 168.9 | -66.8 | -169 | 83.5 | -97.7 | 2.8 | 116.1 | F158 | R155-F158 VanDerWaalsContact CA-CE2 3.44Å; R155-F158 HydrophobicContact CB-CE2 4.39Å; R155-F158 HydrophobicContact CG-CE2 4.23Å |
| 156 | G | 57.4 | Low | 60.3 | Low | 43 Ų | 43 | 129.3 Ų | 129.3 | 44% | 0.443 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -125.8 | -14.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | N154 K160 | N154-G156 PolarHBondContact O-N 3.06Å; G156-K160 WeakPolarHBondContact O-CG 3.17Å |
| 157 | S | 59.6 | Low | 62 | Low | 51 Ų | 51 | 124 Ų | 124 | 36% | 0.357 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -96.4 | -21.8 | 173.8 | 98.8 | 0 | 0 | 0 | 0 | 112.9 | N154 H159 K160 S161 | N154-S157 WeakPolarHBondContact ND2-CB 3.39Å; N154-S157 PolarHBondContact ND2-OG 3.1Å; N154-S157 VanDerWaalsContact OD1-CA 3.27Å; N154-S157 WeakPolarHBondContact OD1-CA 3.39Å; N154-S157 WeakPolarHBondContact OD1-CB 3.36Å; N154-S157 PolarHBondContact OD1-N 3.16Å; N154-S157 PolarHBondContact OD1-OG 3.4Å; S157-H159 VanDerWaalsContact C-N 3.27Å; S157-H159 PolarHBondContact O-N 3.22Å; S157-K160 PolarHBondContact O-N 3.3Å; S157-S161 WeakPolarHBondContact O-CB 3.33Å; S157-S161 PolarHBondContact O-N 3.12Å |
| 158 | F | 67.6 | Low | 63.5 | Low | 116 Ų | 116 | 120 Ų | 120 | 51% | 0.509 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.1 | -42.7 | 172.1 | -31.7 | -60.4 | 0 | 0 | 0 | 110.4 | N154 R155 S161 L162 | N154-F158 HydrophobicContact CB-CE1 3.98Å; N154-F158 HydrophobicContact CB-CZ 3.99Å; N154-F158 WeakPolarHBondContact O-CD2 3.3Å; N154-F158 VanDerWaalsContact O-CE1 3.29Å; N154-F158 WeakPolarHBondContact O-CE1 3.23Å; N154-F158 WeakPolarHBondContact O-CE2 2.9Å; N154-F158 WeakPolarHBondContact O-CG 3.27Å; N154-F158 WeakPolarHBondContact O-CZ 2.78Å; R155-F158 VanDerWaalsContact CA-CE2 3.44Å; R155-F158 HydrophobicContact CB-CE2 4.39Å; R155-F158 HydrophobicContact CG-CE2 4.23Å; F158-S161 WeakPolarHBondContact O-CB 3.24Å; F158-S161 PolarHBondContact O-N 3.4Å; F158-L162 WeakPolarHBondContact O-CB 3.22Å; F158-L162 WeakPolarHBondContact O-CG 3.44Å; F158-L162 PolarHBondContact O-N 3.17Å |
| 159 | H | 67.3 | Low | 64.2 | Low | 122 Ų | 122 | 117.9 Ų | 117.9 | 57% | 0.565 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.4 | -47.5 | -179.9 | -162.5 | -74.7 | 0 | 0 | 0 | 111 | S157 S161 L162 D163 | S157-H159 VanDerWaalsContact C-N 3.27Å; S157-H159 PolarHBondContact O-N 3.22Å; H159-S161 VanDerWaalsContact C-N 3.29Å; H159-S161 PolarHBondContact O-N 2.91Å; H159-L162 PolarHBondContact O-N 3.22Å; H159-L162 VanDerWaalsContact O-N 3.11Å; H159-D163 IonicContact CE1-OD1 3.48Å; H159-D163 PolarHBondContact CE1-OD1 3.39Å; H159-D163 IonicContact CE1-OD2 3.28Å; H159-D163 PolarHBondContact CE1-OD2 3.16Å; H159-D163 VanDerWaalsContact CE1-OD2 3.28Å; H159-D163 IonicContact CG-OD2 2.68Å; H159-D163 IonicContact ND1-OD1 3.03Å; H159-D163 IonicContact ND1-OD2 2.62Å; H159-D163 PolarHBondContact ND1-OD2 3.31Å; H159-D163 PolarHBondContact O-N 2.94Å |
| 160 | K | 70.7 | Confident | 65.5 | Low | 152 Ų | 152 | 118.5 Ų | 118.5 | 66% | 0.661 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62 | -36.9 | 175.1 | -64.7 | 172.9 | 178.3 | -179.9 | 0 | 112.6 | G156 S157 Q164 | G156-K160 WeakPolarHBondContact O-CG 3.17Å; S157-K160 PolarHBondContact O-N 3.3Å; K160-Q164 VanDerWaalsContact O-CB 3.24Å; K160-Q164 WeakPolarHBondContact O-CB 3.29Å; K160-Q164 PolarHBondContact O-N 2.95Å |
| 161 | S | 74.4 | Confident | 66.1 | Low | 61 Ų | 61 | 120.5 Ų | 120.5 | 43% | 0.427 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.3 | -39.1 | 174.6 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | S157 F158 H159 I165 | S157-S161 WeakPolarHBondContact O-CB 3.33Å; S157-S161 PolarHBondContact O-N 3.12Å; F158-S161 WeakPolarHBondContact O-CB 3.24Å; F158-S161 PolarHBondContact O-N 3.4Å; H159-S161 VanDerWaalsContact C-N 3.29Å; H159-S161 PolarHBondContact O-N 2.91Å; S161-I165 VanDerWaalsContact O-CD1 3.25Å; S161-I165 WeakPolarHBondContact O-CD1 3.43Å; S161-I165 WeakPolarHBondContact O-CG1 3.02Å; S161-I165 PolarHBondContact O-N 3.19Å |
| 162 | L | 80.6 | Confident | 66.5 | Low | 92 Ų | 92 | 121.4 Ų | 121.4 | 48% | 0.482 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.9 | -48.4 | 175.6 | -75 | 171.3 | 0 | 0 | 0 | 110.4 | F158 H159 Q164 I165 F166 | F158-L162 WeakPolarHBondContact O-CB 3.22Å; F158-L162 WeakPolarHBondContact O-CG 3.44Å; F158-L162 PolarHBondContact O-N 3.17Å; H159-L162 PolarHBondContact O-N 3.22Å; H159-L162 VanDerWaalsContact O-N 3.11Å; L162-Q164 PolarHBondContact O-N 3.06Å; L162-I165 WeakPolarHBondContact O-CA 2.9Å; L162-I165 WeakPolarHBondContact O-CB 3.32Å; L162-I165 PolarHBondContact O-N 3.02Å; L162-F166 WeakPolarHBondContact O-CD2 3.11Å; L162-F166 PolarHBondContact O-N 3.38Å |
| 163 | D | 78.8 | Confident | 66.7 | Low | 78 Ų | 78 | 116.8 Ų | 116.8 | 42% | 0.417 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -55.7 | -42.3 | 176.3 | -62.2 | -37 | 0 | 0 | 0 | 110.8 | H159 I165 F166 E167 | H159-D163 IonicContact CE1-OD1 3.48Å; H159-D163 PolarHBondContact CE1-OD1 3.39Å; H159-D163 IonicContact CE1-OD2 3.28Å; H159-D163 PolarHBondContact CE1-OD2 3.16Å; H159-D163 VanDerWaalsContact CE1-OD2 3.28Å; H159-D163 IonicContact CG-OD2 2.68Å; H159-D163 IonicContact ND1-OD1 3.03Å; H159-D163 IonicContact ND1-OD2 2.62Å; H159-D163 PolarHBondContact ND1-OD2 3.31Å; H159-D163 PolarHBondContact O-N 2.94Å; D163-I165 PolarHBondContact O-N 3.12Å; D163-F166 PolarHBondContact O-N 3.4Å; D163-E167 VanDerWaalsContact O-CB 3.31Å; D163-E167 WeakPolarHBondContact O-CB 3.27Å; D163-E167 PolarHBondContact O-N 2.92Å |
| 164 | Q | 78.5 | Confident | 66.9 | Low | 130 Ų | 130 | 113 Ų | 113 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.5 | -34.8 | 176.1 | -173.4 | 146.8 | 35.3 | 0 | 0 | 113 | K160 L162 T168 | K160-Q164 VanDerWaalsContact O-CB 3.24Å; K160-Q164 WeakPolarHBondContact O-CB 3.29Å; K160-Q164 PolarHBondContact O-N 2.95Å; L162-Q164 PolarHBondContact O-N 3.06Å; Q164-T168 VanDerWaalsContact O-CB 3.32Å; Q164-T168 WeakPolarHBondContact O-CB 3.49Å; Q164-T168 PolarHBondContact O-N 3.45Å; Q164-T168 PolarHBondContact O-OG1 3.04Å |
| 165 | I | 79.4 | Confident | 66.7 | Low | 98 Ų | 98 | 113.2 Ų | 113.2 | 50% | 0.503 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67 | -42.8 | 173.6 | -69.4 | 159.3 | 0 | 0 | 0 | 110.5 | S161 L162 D163 T168 L169 | S161-I165 VanDerWaalsContact O-CD1 3.25Å; S161-I165 WeakPolarHBondContact O-CD1 3.43Å; S161-I165 WeakPolarHBondContact O-CG1 3.02Å; S161-I165 PolarHBondContact O-N 3.19Å; L162-I165 WeakPolarHBondContact O-CA 2.9Å; L162-I165 WeakPolarHBondContact O-CB 3.32Å; L162-I165 PolarHBondContact O-N 3.02Å; D163-I165 PolarHBondContact O-N 3.12Å; I165-T168 PolarHBondContact O-N 2.86Å; I165-L169 WeakPolarHBondContact O-CB 3.45Å; I165-L169 PolarHBondContact O-N 3.46Å |
| 166 | F | 76.3 | Confident | 66.5 | Low | 136 Ų | 136 | 106.1 Ų | 106.1 | 60% | 0.596 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.3 | -44 | 176.6 | -83 | -79.1 | 0 | 0 | 0 | 111.6 | L162 D163 T168 L169 E170 | L162-F166 WeakPolarHBondContact O-CD2 3.11Å; L162-F166 PolarHBondContact O-N 3.38Å; D163-F166 PolarHBondContact O-N 3.4Å; F166-T168 VanDerWaalsContact C-N 3.32Å; F166-T168 PolarHBondContact O-N 2.74Å; F166-L169 PolarHBondContact O-N 2.82Å; F166-L169 VanDerWaalsContact O-N 3.15Å; F166-E170 WeakPolarHBondContact O-CB 3.25Å; F166-E170 PolarHBondContact O-N 2.96Å |
| 167 | E | 72.8 | Confident | 66.5 | Low | 131 Ų | 131 | 109.2 Ų | 109.2 | 61% | 0.612 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.5 | -35.7 | 176.7 | -168.3 | 175.9 | -179.1 | 0 | 0 | 112.1 | D163 T171 | D163-E167 VanDerWaalsContact O-CB 3.31Å; D163-E167 WeakPolarHBondContact O-CB 3.27Å; D163-E167 PolarHBondContact O-N 2.92Å; E167-T171 WeakPolarHBondContact O-CG2 3.48Å; E167-T171 PolarHBondContact O-N 2.85Å; E167-T171 PolarHBondContact O-OG1 3.5Å |
| 168 | T | 70.1 | Confident | 66.6 | Low | 87 Ų | 87 | 112.4 Ų | 112.4 | 53% | 0.534 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.1 | -32.1 | 174.3 | -51.8 | 0 | 0 | 0 | 0 | 112.1 | Q164 I165 F166 T171 | Q164-T168 VanDerWaalsContact O-CB 3.32Å; Q164-T168 WeakPolarHBondContact O-CB 3.49Å; Q164-T168 PolarHBondContact O-N 3.45Å; Q164-T168 PolarHBondContact O-OG1 3.04Å; I165-T168 PolarHBondContact O-N 2.86Å; F166-T168 VanDerWaalsContact C-N 3.32Å; F166-T168 PolarHBondContact O-N 2.74Å; T168-T171 PolarHBondContact O-OG1 2.92Å |
| 169 | L | 62 | Low | 66.3 | Low | 127 Ų | 127 | 114.4 Ų | 114.4 | 67% | 0.665 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74.8 | -36.2 | 178 | -167.6 | 70.6 | 0 | 0 | 0 | 111.6 | I165 F166 | I165-L169 WeakPolarHBondContact O-CB 3.45Å; I165-L169 PolarHBondContact O-N 3.46Å; F166-L169 PolarHBondContact O-N 2.82Å; F166-L169 VanDerWaalsContact O-N 3.15Å |
| 170 | E | 63.3 | Low | 66 | Low | 176 Ų | 176 | 114.7 Ų | 114.7 | 82% | 0.822 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -76.2 | -24.6 | -179.2 | -155.6 | 169.6 | -156.6 | 0 | 0 | 112.6 | F166 | F166-E170 WeakPolarHBondContact O-CB 3.25Å; F166-E170 PolarHBondContact O-N 2.96Å |
| 171 | T | 60.8 | Low | 65.3 | Low | 96 Ų | 96 | 114.3 Ų | 114.3 | 59% | 0.589 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -90.3 | -6.4 | 179 | 48.4 | 0 | 0 | 0 | 0 | 114.6 | E167 T168 N173 | E167-T171 WeakPolarHBondContact O-CG2 3.48Å; E167-T171 PolarHBondContact O-N 2.85Å; E167-T171 PolarHBondContact O-OG1 3.5Å; T168-T171 PolarHBondContact O-OG1 2.92Å; T171-N173 PolarHBondContact O-N 3.16Å |
| 172 | K | 54.7 | Low | 64.4 | Low | 155 Ų | 155 | 115.1 Ų | 115.1 | 67% | 0.674 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -77.2 | 96.9 | 176.7 | -171.1 | 168.1 | 163.2 | -179.6 | 0 | 109.8 | ||
| 173 | N | 60.3 | Low | 63.2 | Low | 122 Ų | 122 | 117.8 Ų | 117.8 | 65% | 0.652 | 61% | 0.612 | S | S | * | * | trans | -41.2 | 136.5 | -179.7 | -93.6 | -93.8 | 0 | 0 | 0 | 113.5 | T171 S175 | T171-N173 PolarHBondContact O-N 3.16Å; N173-S175 PolarHBondContact O-N 3.03Å | ||
| 174 | P | 55.4 | Low | 62.2 | Low | 89 Ų | 89 | 118.9 Ų | 118.9 | 58% | 0.578 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -65.1 | -9.5 | 175.9 | 27.4 | -34.1 | 0 | 0 | 0 | 113.5 | C176 M177 | P174-C176 PolarHBondContact O-N 2.89Å; P174-C176 VanDerWaalsContact O-N 3.11Å; P174-M177 HydrophobicContact CB-SD 3.96Å; P174-M177 WeakPolarHBondContact O-CG 3.24Å; P174-M177 PolarHBondContact O-N 2.71Å |
| 175 | S | 53.2 | Low | 61 | Low | 86 Ų | 86 | 119.9 Ų | 119.9 | 60% | 0.601 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -66.1 | -9.2 | -179.7 | 176.2 | 0 | 0 | 0 | 0 | 115.6 | N173 E178 | N173-S175 PolarHBondContact O-N 3.03Å; S175-E178 WeakPolarHBondContact CA-OE2 3.44Å; S175-E178 VanDerWaalsContact O-OE2 3.12Å |
| 176 | C | 53.8 | Low | 59.5 | Low | 81 Ų | 81 | 119.7 Ų | 119.7 | 55% | 0.547 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -92.3 | -9.7 | -176.6 | -173.2 | 0 | 0 | 0 | 0 | 112.7 | P174 | P174-C176 PolarHBondContact O-N 2.89Å; P174-C176 VanDerWaalsContact O-N 3.11Å |
| 177 | M | 58 | Low | 58.6 | Low | 108 Ų | 108 | 117.8 Ų | 117.8 | 53% | 0.532 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -87.2 | -22.9 | 177.4 | 55 | -126.1 | -80.6 | 0 | 0 | 112.7 | P174 L180 F181 | P174-M177 HydrophobicContact CB-SD 3.96Å; P174-M177 WeakPolarHBondContact O-CG 3.24Å; P174-M177 PolarHBondContact O-N 2.71Å; M177-L180 PolarHBondContact O-N 3.11Å; M177-F181 HydrophobicContact CB-CE2 4.3Å; M177-F181 WeakPolarHBondContact O-CD2 3.18Å; M177-F181 WeakPolarHBondContact O-CE2 3.48Å |
| 178 | E | 60.8 | Low | 57.7 | Low | 117 Ų | 117 | 121.2 Ų | 121.2 | 55% | 0.547 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -68.4 | -34.2 | 177.5 | -63.8 | 89.7 | 171.6 | 0 | 0 | 113.4 | S175 L180 F181 | S175-E178 WeakPolarHBondContact CA-OE2 3.44Å; S175-E178 VanDerWaalsContact O-OE2 3.12Å; E178-L180 VanDerWaalsContact C-N 3.28Å; E178-L180 PolarHBondContact O-N 3.36Å; E178-F181 PolarHBondContact O-N 3.46Å |
| 179 | E | 60.5 | Low | 57 | Low | 158 Ų | 158 | 126.2 Ų | 126.2 | 74% | 0.738 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -70.3 | -21.6 | 174.2 | -91 | -174.1 | 156.7 | 0 | 0 | 113.3 | S182 | E179-S182 WeakPolarHBondContact CA-OG 3.4Å; E179-S182 PolarHBondContact O-OG 2.81Å |
| 180 | L | 61.3 | Low | 56.7 | Low | 128 Ų | 128 | 124.2 Ų | 124.2 | 67% | 0.67 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -76.9 | -25 | 178.5 | -170 | 63 | 0 | 0 | 0 | 112.2 | M177 E178 V184 | M177-L180 PolarHBondContact O-N 3.11Å; E178-L180 VanDerWaalsContact C-N 3.28Å; E178-L180 PolarHBondContact O-N 3.36Å; L180-V184 WeakPolarHBondContact O-CG2 3.31Å |
| 181 | F | 55.8 | Low | 56.6 | Low | 144 Ų | 144 | 122.7 Ų | 122.7 | 63% | 0.632 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -89.1 | -15.1 | 177.5 | -63.4 | -68 | 0 | 0 | 0 | 113.3 | M177 E178 D183 V184 | M177-F181 HydrophobicContact CB-CE2 4.3Å; M177-F181 WeakPolarHBondContact O-CD2 3.18Å; M177-F181 WeakPolarHBondContact O-CE2 3.48Å; E178-F181 PolarHBondContact O-N 3.46Å; F181-D183 VanDerWaalsContact C-N 3.35Å; F181-V184 PolarHBondContact O-N 2.81Å |
| 182 | S | 56.1 | Low | 56.6 | Low | 78 Ų | 78 | 123.4 Ų | 123.4 | 55% | 0.545 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.6 | -15 | 179 | 48.2 | 0 | 0 | 0 | 0 | 114.8 | E179 | E179-S182 WeakPolarHBondContact CA-OG 3.4Å; E179-S182 PolarHBondContact O-OG 2.81Å |
| 183 | D | 55.9 | Low | 56.9 | Low | 148 Ų | 148 | 119.3 Ų | 119.3 | 79% | 0.791 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 8.4 | 174 | -147.3 | 25.4 | 0 | 0 | 0 | 112.2 | F181 D185 | F181-D183 VanDerWaalsContact C-N 3.35Å; D183-D185 VanDerWaalsContact C-N 3.27Å |
| 184 | V | 58 | Low | 56.9 | Low | 101 Ų | 101 | 118.9 Ų | 118.9 | 61% | 0.612 | 64% | 0.635 | S | S | * | * | trans | -91 | 12.7 | 173.6 | -175.5 | 0 | 0 | 0 | 0 | 111.1 | L180 F181 S186 | L180-V184 WeakPolarHBondContact O-CG2 3.31Å; F181-V184 PolarHBondContact O-N 2.81Å; V184-S186 PolarHBondContact O-N 2.99Å; V184-S186 VanDerWaalsContact O-N 3.11Å | ||
| 185 | D | 53.5 | Low | 57.1 | Low | 151 Ų | 151 | 121.8 Ų | 121.8 | 81% | 0.807 | 65% | 0.645 | S | S | * | * | trans | -85.8 | 50.1 | 165 | -72.2 | -39 | 0 | 0 | 0 | 110.7 | D183 | D183-D185 VanDerWaalsContact C-N 3.27Š| ||
| 186 | S | 47.6 | Very low | 57.5 | Low | 94 Ų | 94 | 122 Ų | 122 | 66% | 0.657 | 64% | 0.643 | S | S | * | * | trans | -88.5 | 132.4 | 168.5 | -154.6 | 0 | 0 | 0 | 0 | 109.4 | V184 Y188 | V184-S186 PolarHBondContact O-N 2.99Å; V184-S186 VanDerWaalsContact O-N 3.11Å; S186-Y188 PolarHBondContact O-N 2.94Å | ||
| 187 | P | 56.3 | Low | 57.6 | Low | 97 Ų | 97 | 121.4 Ų | 121.4 | 63% | 0.63 | 65% | 0.651 | S | S | * | * | trans | -64.6 | 106.8 | -163.8 | 27.5 | -36 | 0 | 0 | 0 | 112.2 | Y189 | P187-Y189 PolarHBondContact O-N 3.29Š| ||
| 188 | Y | 54.9 | Low | 57.6 | Low | 203 Ų | 203 | 123.1 Ų | 123.1 | 80% | 0.796 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 9.4 | 176.6 | -171.7 | -102.9 | 0 | 0 | 0 | 114.4 | S186 | S186-Y188 PolarHBondContact O-N 2.94Š|
| 189 | Y | 54.2 | Low | 57 | Low | 192 Ų | 192 | 126.6 Ų | 126.6 | 75% | 0.753 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.8 | 11.8 | -175.3 | -76.5 | -78.7 | 0 | 0 | 0 | 115.1 | P187 | P187-Y189 PolarHBondContact O-N 3.29Š|
| 190 | D | 55.4 | Low | 56.1 | Low | 84 Ų | 84 | 122.5 Ų | 122.5 | 45% | 0.449 | 68% | 0.678 | S | S | . | * | trans | -101.9 | 20 | 178.3 | -163.2 | 38 | 0 | 0 | 0 | 113.9 | T193 V194 | D190-T193 WeakPolarHBondContact OD1-CB 3.21Å; D190-T193 PolarHBondContact OD1-OG1 3.43Å; D190-V194 WeakPolarHBondContact O-CG2 3.32Å | ||
| 191 | L | 62.5 | Low | 55.5 | Low | 144 Ų | 144 | 120.1 Ų | 120.1 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -86.3 | -36.2 | 171.6 | -69.1 | 170.8 | 0 | 0 | 0 | 111 | T193 V194 L195 | L191-T193 PolarHBondContact O-N 2.89Å; L191-V194 PolarHBondContact O-N 2.75Å; L191-L195 WeakPolarHBondContact O-CB 3.41Å; L191-L195 PolarHBondContact O-N 3.02Å |
| 192 | D | 60.2 | Low | 54.7 | Low | 112 Ų | 112 | 118.2 Ų | 118.2 | 60% | 0.599 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -68.9 | -31.5 | 177.6 | -85.4 | -38.3 | 0 | 0 | 0 | 112.9 | L195 T196 | D192-L195 PolarHBondContact O-N 3.49Å; D192-T196 WeakPolarHBondContact O-CB 3.48Å; D192-T196 PolarHBondContact O-N 3.49Å; D192-T196 PolarHBondContact O-OG1 3.26Å |
| 193 | T | 61.2 | Low | 54.2 | Low | 68 Ų | 68 | 126 Ų | 126 | 42% | 0.417 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -67.2 | -42 | 177.7 | -21.9 | 0 | 0 | 0 | 0 | 111.7 | D190 L191 G197 | D190-T193 WeakPolarHBondContact OD1-CB 3.21Å; D190-T193 PolarHBondContact OD1-OG1 3.43Å; L191-T193 PolarHBondContact O-N 2.89Å; T193-G197 PolarHBondContact O-N 2.96Å |
| 194 | V | 60.6 | Low | 54.3 | Low | 113 Ų | 113 | 124.9 Ų | 124.9 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -71.9 | -36 | 176.7 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | D190 L191 | D190-V194 WeakPolarHBondContact O-CG2 3.32Å; L191-V194 PolarHBondContact O-N 2.75Å |
| 195 | L | 60.2 | Low | 53.2 | Low | 151 Ų | 151 | 123.5 Ų | 123.5 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -69 | -33.6 | 176.3 | -137.5 | 82.8 | 0 | 0 | 0 | 112.9 | L191 D192 | L191-L195 WeakPolarHBondContact O-CB 3.41Å; L191-L195 PolarHBondContact O-N 3.02Å; D192-L195 PolarHBondContact O-N 3.49Å |
| 196 | T | 61.3 | Low | 53.1 | Low | 89 Ų | 89 | 122.1 Ų | 122.1 | 55% | 0.546 | 72% | 0.719 | S | S | . | * | H | α-helix | trans | -89.9 | -10 | -175 | -54.3 | 0 | 0 | 0 | 0 | 113.2 | D192 M198 | D192-T196 WeakPolarHBondContact O-CB 3.48Å; D192-T196 PolarHBondContact O-N 3.49Å; D192-T196 PolarHBondContact O-OG1 3.26Å; T196-M198 HydrophobicContact CG2-CG 4.35Å; T196-M198 HydrophobicContact CG2-SD 4.18Å; T196-M198 PolarHBondContact O-N 3.06Å |
| 197 | G | 54.6 | Low | 52.6 | Low | 70 Ų | 70 | 123.4 Ų | 123.4 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.7 | 17 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T193 | T193-G197 PolarHBondContact O-N 2.96Š|
| 198 | M | 59.5 | Low | 51.8 | Low | 144 Ų | 144 | 128.3 Ų | 128.3 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | trans | -94.8 | 98.3 | 175.3 | -79.8 | 175.2 | 62.4 | 0 | 0 | 108.8 | T196 G200 | T196-M198 HydrophobicContact CG2-CG 4.35Å; T196-M198 HydrophobicContact CG2-SD 4.18Å; T196-M198 PolarHBondContact O-N 3.06Å; M198-G200 PolarHBondContact O-N 3.46Å | ||
| 199 | M | 47 | Very low | 51.1 | Low | 189 Ų | 189 | 121.7 Ų | 121.7 | 93% | 0.931 | 74% | 0.735 | S | S | * | * | trans | -52.3 | 112.7 | 165.6 | -178.1 | 72.9 | 111.9 | 0 | 0 | 109 | ||||
| 200 | G | 41.5 | Very low | 50.9 | Low | 72 Ų | 72 | 120.3 Ų | 120.3 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | trans | -62.7 | 134.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M198 | M198-G200 PolarHBondContact O-N 3.46Š| ||
| 201 | G | 48.3 | Very low | 50.2 | Low | 78 Ų | 78 | 125.3 Ų | 125.3 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -168.8 | 64.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 202 | A | 39.9 | Very low | 48.9 | Very low | 104 Ų | 104 | 121.8 Ų | 121.8 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -177.9 | 140.4 | 146.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 203 | R | 45.2 | Very low | 47.9 | Very low | 243 Ų | 243 | 125 Ų | 125 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | trans | -63.7 | 165.7 | -179.5 | -115.5 | -154.6 | 160.2 | -164.7 | -3.5 | 114.3 | ||||
| 204 | P | 57.7 | Low | 47.2 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | trans | -84.4 | 147.1 | -174.6 | 34.7 | -31.7 | 0 | 0 | 0 | 113.1 | ||||
| 205 | G | 35.6 | Very low | 46.9 | Very low | 72 Ų | 72 | 126.9 Ų | 126.9 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -150.8 | 150.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 206 | P | 51.7 | Low | 45.8 | Very low | 122 Ų | 122 | 124 Ų | 124 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -111.7 | 157.5 | -151.5 | 36.9 | -24.3 | 0 | 0 | 0 | 115.9 | ||||
| 207 | C | 37.5 | Very low | 45.1 | Very low | 122 Ų | 122 | 126 Ų | 126 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | 62.8 | 120.8 | 157.2 | -63 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 208 | E | 37.9 | Very low | 44.9 | Very low | 199 Ų | 199 | 128.7 Ų | 128.7 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | 150.7 | 137.7 | 109.1 | -95.4 | -148.5 | 133.1 | 0 | 0 | 112 | |||||
| 209 | G | 40.9 | Very low | 43.9 | Very low | 65 Ų | 65 | 125 Ų | 125 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | trans | 129.3 | 106.9 | 141.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 210 | L | 49.9 | Very low | 44.3 | Very low | 162 Ų | 162 | 122 Ų | 122 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | 98.3 | 76.3 | 146.1 | -46.4 | -175 | 0 | 0 | 0 | 117.7 | ||||
| 211 | E | 41.1 | Very low | 44.3 | Very low | 190 Ų | 190 | 123.9 Ų | 123.9 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | 23.6 | 129.3 | 114.5 | -67.9 | 177.8 | 86.2 | 0 | 0 | 120.3 | |||||
| 212 | G | 35.3 | Very low | 44.7 | Very low | 69 Ų | 69 | 125 Ų | 125 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | 111.6 | 118.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 213 | L | 39.7 | Very low | 44.9 | Very low | 179 Ų | 179 | 124.7 Ų | 124.7 | 94% | 0.937 | 80% | 0.796 | S | S | * | * | cis | -153.2 | 158.1 | 16.7 | -69.4 | 168.4 | 0 | 0 | 0 | 110.2 | ||||
| 214 | A | 46.1 | Very low | 45.3 | Very low | 92 Ų | 92 | 118 Ų | 118 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -42.2 | 167.8 | -179 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 215 | P | 53.3 | Low | 45.1 | Very low | 129 Ų | 129 | 121 Ų | 121 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -82.9 | 147.2 | -173 | 34.9 | -34.2 | 0 | 0 | 0 | 112.8 | ||||
| 216 | A | 37.6 | Very low | 46.1 | Very low | 92 Ų | 92 | 122 Ų | 122 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -139.2 | 104.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 217 | T | 47.6 | Very low | 46.6 | Very low | 131 Ų | 131 | 121 Ų | 121 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 38.2 | 132.2 | 133.4 | -16.1 | 0 | 0 | 0 | 0 | 120.5 | G219 | T217-G219 PolarHBondContact O-N 3.28Š| ||
| 218 | P | 48.6 | Very low | 47.7 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 121.2 | 172.5 | 30.7 | -32 | 0 | 0 | 0 | 110.7 | ||
| 219 | G | 38.6 | Very low | 49.1 | Very low | 65 Ų | 65 | 114.9 Ų | 114.9 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 136.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T217 S221 | T217-G219 PolarHBondContact O-N 3.28Å; G219-S221 PolarHBondContact O-N 3.48Å |
| 220 | P | 56.6 | Low | 50.8 | Low | 127 Ų | 127 | 117.9 Ų | 117.9 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 117.2 | 176 | 32.5 | -28.6 | 0 | 0 | 0 | 109 | ||
| 221 | S | 42.3 | Very low | 52.1 | Low | 111 Ų | 111 | 115.4 Ų | 115.4 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -135.7 | 70.5 | 162.3 | 54.3 | 0 | 0 | 0 | 0 | 109.5 | G219 S223 | G219-S221 PolarHBondContact O-N 3.48Å; S221-S223 PolarHBondContact O-N 3.28Å | ||
| 222 | S | 55.3 | Low | 53.8 | Low | 102 Ų | 102 | 112 Ų | 112 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | trans | -63 | 83 | 153.8 | 55.8 | 0 | 0 | 0 | 0 | 108.4 | C224 | S222-C224 PolarHBondContact O-N 3.5Š| ||
| 223 | S | 45.1 | Very low | 55.8 | Low | 98 Ų | 98 | 113.8 Ų | 113.8 | 69% | 0.685 | 71% | 0.705 | S | S | * | * | trans | -78.2 | 63.3 | 159.3 | 171.8 | 0 | 0 | 0 | 0 | 108.1 | S221 K225 | S221-S223 PolarHBondContact O-N 3.28Å; S223-K225 PolarHBondContact O-N 2.85Å | ||
| 224 | C | 53 | Low | 57.9 | Low | 103 Ų | 103 | 108.4 Ų | 108.4 | 70% | 0.696 | 68% | 0.68 | S | S | * | * | trans | -72.1 | 76 | 162.7 | -58.2 | 0 | 0 | 0 | 0 | 107.1 | S222 S226 | S222-C224 PolarHBondContact O-N 3.5Å; C224-S226 PolarHBondContact O-N 3.32Å | ||
| 225 | K | 53.2 | Low | 59.6 | Low | 184 Ų | 184 | 107.5 Ų | 107.5 | 80% | 0.8 | 67% | 0.665 | S | S | * | * | trans | -91.2 | 77.9 | 157.2 | -59.3 | -170.2 | 88.6 | 161.4 | 0 | 104.3 | S223 D227 | S223-K225 PolarHBondContact O-N 2.85Å; K225-D227 PolarHBondContact O-N 2.87Å | ||
| 226 | S | 56.4 | Low | 60.9 | Low | 95 Ų | 95 | 106.5 Ų | 106.5 | 66% | 0.664 | 65% | 0.649 | S | S | * | * | trans | -48.6 | 115.8 | 166 | -53.3 | 0 | 0 | 0 | 0 | 106.2 | C224 L228 | C224-S226 PolarHBondContact O-N 3.32Å; S226-L228 PolarHBondContact O-N 2.61Å | ||
| 227 | D | 62.3 | Low | 63 | Low | 101 Ų | 101 | 106.6 Ų | 106.6 | 54% | 0.54 | 64% | 0.636 | S | S | . | * | trans | -58.9 | 103.1 | 177.9 | -174.2 | 14.7 | 0 | 0 | 0 | 107 | K225 G229 E230 L231 | K225-D227 PolarHBondContact O-N 2.87Å; D227-G229 PolarHBondContact O-N 3Å; D227-G229 VanDerWaalsContact O-N 3.12Å; D227-G229 PolarHBondContact OD1-N 2.96Å; D227-E230 HydrophobicContact CB-CB 3.8Å; D227-E230 PolarHBondContact O-N 3.42Å; D227-L231 PolarHBondContact O-N 3.05Å | ||
| 228 | L | 60.8 | Low | 64.6 | Low | 148 Ų | 148 | 106.1 Ų | 106.1 | 78% | 0.775 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -58.3 | -24.9 | 180 | -124.9 | 77.3 | 0 | 0 | 0 | 110.4 | S226 D232 | S226-L228 PolarHBondContact O-N 2.61Å; L228-D232 PolarHBondContact O-N 2.63Å |
| 229 | G | 68.2 | Low | 66.1 | Low | 44 Ų | 44 | 105.6 Ų | 105.6 | 45% | 0.454 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -74.7 | -35.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D227 D232 H233 | D227-G229 PolarHBondContact O-N 3Å; D227-G229 VanDerWaalsContact O-N 3.12Å; D227-G229 PolarHBondContact OD1-N 2.96Å; G229-D232 PolarHBondContact O-N 2.98Å; G229-H233 WeakPolarHBondContact O-CB 3.12Å; G229-H233 PolarHBondContact O-N 2.96Å |
| 230 | E | 75.9 | Confident | 67.4 | Low | 127 Ų | 127 | 110.1 Ų | 110.1 | 59% | 0.593 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69 | -37.5 | 174.7 | -169.2 | 175.8 | -154.8 | 0 | 0 | 110.9 | D227 H233 V234 | D227-E230 HydrophobicContact CB-CB 3.8Å; D227-E230 PolarHBondContact O-N 3.42Å; E230-H233 PolarHBondContact O-N 3.15Å; E230-V234 WeakPolarHBondContact O-CB 3.39Å; E230-V234 WeakPolarHBondContact O-CG2 3.38Å; E230-V234 PolarHBondContact O-N 3.37Å |
| 231 | L | 77.3 | Confident | 67 | Low | 111 Ų | 111 | 112.1 Ų | 112.1 | 58% | 0.581 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.7 | -38.9 | 175.6 | -172.9 | 62.7 | 0 | 0 | 0 | 112.3 | D227 V234 V235 | D227-L231 PolarHBondContact O-N 3.05Å; L231-V234 PolarHBondContact O-N 3.05Å; L231-V235 VanDerWaalsContact O-CG2 3.23Å; L231-V235 WeakPolarHBondContact O-CG2 2.97Å; L231-V235 PolarHBondContact O-N 2.75Å |
| 232 | D | 76.9 | Confident | 68.3 | Low | 118 Ų | 118 | 112.2 Ų | 112.2 | 63% | 0.631 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.7 | -44.2 | 175.8 | -162.2 | 57.6 | 0 | 0 | 0 | 111 | L228 G229 V234 V235 E236 | L228-D232 PolarHBondContact O-N 2.63Å; G229-D232 PolarHBondContact O-N 2.98Å; D232-V234 PolarHBondContact O-N 3.38Å; D232-V235 PolarHBondContact O-N 3.23Å; D232-E236 WeakPolarHBondContact O-CB 3.45Å; D232-E236 PolarHBondContact O-N 3.27Å |
| 233 | H | 77.9 | Confident | 69 | Low | 106 Ų | 106 | 112.7 Ų | 112.7 | 49% | 0.491 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64 | -39.1 | 175.4 | -172.4 | 52 | 0 | 0 | 0 | 112.9 | G229 E230 E236 I237 | G229-H233 WeakPolarHBondContact O-CB 3.12Å; G229-H233 PolarHBondContact O-N 2.96Å; E230-H233 PolarHBondContact O-N 3.15Å; H233-E236 IonicContact ND1-OE2 3.87Å; H233-E236 PolarHBondContact O-N 3.43Å; H233-I237 WeakPolarHBondContact O-CD1 3.48Å; H233-I237 WeakPolarHBondContact O-CG1 3.49Å; H233-I237 PolarHBondContact O-N 3.42Å; H233-I237 VanDerWaalsContact O-N 3.09Å |
| 234 | V | 82.8 | Confident | 70.3 | Confident | 66 Ų | 66 | 113.6 Ų | 113.6 | 40% | 0.4 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.1 | -38 | 175.6 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | E230 L231 D232 L238 | E230-V234 WeakPolarHBondContact O-CB 3.39Å; E230-V234 WeakPolarHBondContact O-CG2 3.38Å; E230-V234 PolarHBondContact O-N 3.37Å; L231-V234 PolarHBondContact O-N 3.05Å; D232-V234 PolarHBondContact O-N 3.38Å; V234-L238 HydrophobicContact CG1-CD1 4.1Å; V234-L238 WeakPolarHBondContact O-CG 3.11Å; V234-L238 PolarHBondContact O-N 3.42Å |
| 235 | V | 82.9 | Confident | 71.3 | Confident | 73 Ų | 73 | 114.2 Ų | 114.2 | 44% | 0.442 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -69.7 | -37.6 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | L231 D232 L238 V239 | L231-V235 VanDerWaalsContact O-CG2 3.23Å; L231-V235 WeakPolarHBondContact O-CG2 2.97Å; L231-V235 PolarHBondContact O-N 2.75Å; D232-V235 PolarHBondContact O-N 3.23Å; V235-L238 PolarHBondContact O-N 3.42Å; V235-V239 HydrophobicContact CG1-CG2 4.32Å; V235-V239 VanDerWaalsContact O-CG2 3.32Å; V235-V239 WeakPolarHBondContact O-CG2 3.07Å; V235-V239 PolarHBondContact O-N 3.11Å |
| 236 | E | 80.5 | Confident | 72.4 | Confident | 108 Ų | 108 | 109.8 Ų | 109.8 | 51% | 0.505 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -58.5 | -49.2 | 173.4 | -172.4 | 178.2 | -159.4 | 0 | 0 | 111.1 | D232 H233 L238 V239 E240 | D232-E236 WeakPolarHBondContact O-CB 3.45Å; D232-E236 PolarHBondContact O-N 3.27Å; H233-E236 IonicContact ND1-OE2 3.87Å; H233-E236 PolarHBondContact O-N 3.43Å; E236-L238 VanDerWaalsContact C-N 3.29Å; E236-L238 PolarHBondContact O-N 3.42Å; E236-V239 PolarHBondContact O-N 2.87Å; E236-E240 PolarHBondContact O-N 3.03Å |
| 237 | I | 81.5 | Confident | 73.5 | Confident | 94 Ų | 94 | 110.8 Ų | 110.8 | 48% | 0.482 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -60.2 | -36.6 | 178 | -65.8 | 162.4 | 0 | 0 | 0 | 112.4 | H233 | H233-I237 WeakPolarHBondContact O-CD1 3.48Å; H233-I237 WeakPolarHBondContact O-CG1 3.49Å; H233-I237 PolarHBondContact O-N 3.42Å; H233-I237 VanDerWaalsContact O-N 3.09Å |
| 238 | L | 80.6 | Confident | 74.3 | Confident | 121 Ų | 121 | 111.5 Ų | 111.5 | 63% | 0.634 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -79 | -25 | -178.5 | -74.2 | 168.8 | 0 | 0 | 0 | 113.7 | V234 V235 E236 T241 | V234-L238 HydrophobicContact CG1-CD1 4.1Å; V234-L238 WeakPolarHBondContact O-CG 3.11Å; V234-L238 PolarHBondContact O-N 3.42Å; V235-L238 PolarHBondContact O-N 3.42Å; E236-L238 VanDerWaalsContact C-N 3.29Å; E236-L238 PolarHBondContact O-N 3.42Å; L238-T241 PolarHBondContact O-OG1 3.11Å |
| 239 | V | 79.2 | Confident | 75.3 | Confident | 116 Ų | 116 | 108.7 Ų | 108.7 | 70% | 0.703 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -84.7 | -24.5 | 178.9 | 167.8 | 0 | 0 | 0 | 0 | 111.5 | V235 E236 T241 | V235-V239 HydrophobicContact CG1-CG2 4.32Å; V235-V239 VanDerWaalsContact O-CG2 3.32Å; V235-V239 WeakPolarHBondContact O-CG2 3.07Å; V235-V239 PolarHBondContact O-N 3.11Å; E236-V239 PolarHBondContact O-N 2.87Å; V239-T241 VanDerWaalsContact C-N 3.26Å; V239-T241 PolarHBondContact O-N 3.07Å |
| 240 | E | 65.8 | Low | 75.9 | Confident | 159 Ų | 159 | 114.1 Ų | 114.1 | 74% | 0.743 | 60% | 0.604 | S | S | * | * | trans | -89.3 | 20.6 | -176.2 | -145.4 | 147.8 | -154.7 | 0 | 0 | 114.2 | E236 | E236-E240 PolarHBondContact O-N 3.03Š| ||
| 241 | T | 49.8 | Very low | 75.9 | Confident | 170 Ų | 170 | 112.9 Ų | 112.9 | 100% | 1.043 | 61% | 0.605 | S | S | * | * | trans | -124.6 | 0 | 171.9 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | L238 V239 | L238-T241 PolarHBondContact O-OG1 3.11Å; V239-T241 VanDerWaalsContact C-N 3.26Å; V239-T241 PolarHBondContact O-N 3.07Å |
Retrieved 241 of 241 residues in 104.7 ms
(Link to these results)