| 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 | 59.7 | Low | 73.8 | Confident | 207 Ų | 207 | 129.1 Ų | 129.1 | 100% | 1.02 | 66% | 0.664 | S | S | * | * | 0 | 112.7 | 0 | -122.9 | -66.7 | -160.8 | 0 | 0 | 107.2 | Q3 L6 | M1-Q3 PolarHBondContact O-N 3.33Å; M1-L6 HydrophobicContact CE-CD1 3.8Å; M1-L6 HydrophobicContact SD-CD1 4.22Å | |||
| 2 | N | 78.5 | Confident | 73 | Confident | 106 Ų | 106 | 131.3 Ų | 131.3 | 57% | 0.567 | 67% | 0.669 | S | S | * | * | trans | -87.7 | 105.3 | -170.7 | -156.2 | -14 | 0 | 0 | 0 | 109.5 | E4 K5 L6 | N2-E4 VanDerWaalsContact C-N 3.26Å; N2-E4 PolarHBondContact O-N 3.32Å; N2-K5 PolarHBondContact O-N 3.15Å; N2-K5 VanDerWaalsContact O-N 3.14Å; N2-L6 PolarHBondContact O-N 3.32Å | ||
| 3 | Q | 84.4 | Confident | 71.9 | Confident | 170 Ų | 170 | 127.5 Ų | 127.5 | 79% | 0.794 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -56 | -37 | -171.5 | -97.3 | -179.5 | -2.6 | 0 | 0 | 113 | M1 K5 L6 A7 | M1-Q3 PolarHBondContact O-N 3.33Å; Q3-K5 PolarHBondContact O-N 3.44Å; Q3-L6 PolarHBondContact O-N 2.76Å; Q3-A7 PolarHBondContact O-N 3.29Å |
| 4 | E | 79.2 | Confident | 71 | Confident | 147 Ų | 147 | 136.4 Ų | 136.4 | 69% | 0.687 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -65.2 | -36.4 | 179.6 | -71.3 | -168.8 | 149.6 | 0 | 0 | 113.4 | N2 L6 K8 | N2-E4 VanDerWaalsContact C-N 3.26Å; N2-E4 PolarHBondContact O-N 3.32Å; E4-L6 VanDerWaalsContact C-N 3.32Å; E4-K8 PolarHBondContact O-N 3.05Å; E4-K8 VanDerWaalsContact O-N 3.17Å |
| 5 | K | 76.3 | Confident | 70.3 | Confident | 152 Ų | 152 | 136.6 Ų | 136.6 | 66% | 0.661 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -67.9 | -36.5 | 174.9 | -86.9 | -173.8 | 176.2 | -179.6 | 0 | 111.1 | N2 Q3 L9 | N2-K5 PolarHBondContact O-N 3.15Å; N2-K5 VanDerWaalsContact O-N 3.14Å; Q3-K5 PolarHBondContact O-N 3.44Å; K5-L9 PolarHBondContact O-N 3.35Å; K5-L9 VanDerWaalsContact O-N 3.12Å |
| 6 | L | 78.6 | Confident | 69.7 | Low | 75 Ų | 75 | 131.9 Ų | 131.9 | 39% | 0.393 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -68 | -42.2 | 179.1 | -154.5 | 73.4 | 0 | 0 | 0 | 111.4 | M1 N2 Q3 E4 L9 Q10 | M1-L6 HydrophobicContact CE-CD1 3.8Å; M1-L6 HydrophobicContact SD-CD1 4.22Å; N2-L6 PolarHBondContact O-N 3.32Å; Q3-L6 PolarHBondContact O-N 2.76Å; E4-L6 VanDerWaalsContact C-N 3.32Å; L6-L9 PolarHBondContact O-N 3.49Å; L6-Q10 WeakPolarHBondContact O-CG 3.28Å; L6-Q10 PolarHBondContact O-N 2.8Å |
| 7 | A | 75.7 | Confident | 69.5 | Low | 60 Ų | 60 | 126.6 Ų | 126.6 | 50% | 0.496 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -62.9 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q3 L9 Q10 A11 | Q3-A7 PolarHBondContact O-N 3.29Å; A7-L9 PolarHBondContact O-N 3.03Å; A7-Q10 PolarHBondContact O-N 3.41Å; A7-A11 PolarHBondContact O-N 2.85Å |
| 8 | K | 73.8 | Confident | 69.3 | Low | 159 Ų | 159 | 132.3 Ų | 132.3 | 69% | 0.691 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -64.4 | -38.2 | 175.8 | -75.3 | -177.7 | -179.2 | 174.5 | 0 | 112.7 | E4 A11 Q12 | E4-K8 PolarHBondContact O-N 3.05Å; E4-K8 VanDerWaalsContact O-N 3.17Å; K8-A11 PolarHBondContact O-N 3.22Å; K8-Q12 PolarHBondContact O-N 3.49Å |
| 9 | L | 71.3 | Confident | 69.3 | Low | 113 Ų | 113 | 129.7 Ų | 129.7 | 59% | 0.592 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -67.6 | -39.2 | 175.7 | -90.8 | 154.3 | 0 | 0 | 0 | 112.4 | K5 L6 A7 A11 Q12 V13 | K5-L9 PolarHBondContact O-N 3.35Å; K5-L9 VanDerWaalsContact O-N 3.12Å; L6-L9 PolarHBondContact O-N 3.49Å; A7-L9 PolarHBondContact O-N 3.03Å; L9-A11 VanDerWaalsContact C-N 3.34Å; L9-Q12 PolarHBondContact O-N 3.18Å; L9-V13 WeakPolarHBondContact O-CG2 3.41Å |
| 10 | Q | 70.2 | Confident | 69.2 | Low | 142 Ų | 142 | 127 Ų | 127 | 66% | 0.664 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -68.1 | -30.9 | 176.3 | -75.7 | -173.4 | -18.4 | 0 | 0 | 113.2 | L6 A7 Q12 V13 | L6-Q10 WeakPolarHBondContact O-CG 3.28Å; L6-Q10 PolarHBondContact O-N 2.8Å; A7-Q10 PolarHBondContact O-N 3.41Å; Q10-Q12 VanDerWaalsContact C-N 3.31Å; Q10-V13 WeakPolarHBondContact O-CG2 3.43Å |
| 11 | A | 64.7 | Low | 69 | Low | 89 Ų | 89 | 126 Ų | 126 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -73 | -23 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A7 K8 L9 | A7-A11 PolarHBondContact O-N 2.85Å; K8-A11 PolarHBondContact O-N 3.22Å; L9-A11 VanDerWaalsContact C-N 3.34Å |
| 12 | Q | 63.5 | Low | 69.2 | Low | 155 Ų | 155 | 127.3 Ų | 127.3 | 72% | 0.724 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 0.3 | -177.2 | -149.7 | 174.9 | 14.2 | 0 | 0 | 113.5 | K8 L9 Q10 R14 | K8-Q12 PolarHBondContact O-N 3.49Å; L9-Q12 PolarHBondContact O-N 3.18Å; Q10-Q12 VanDerWaalsContact C-N 3.31Å; Q12-R14 PolarHBondContact O-N 3.21Å; Q12-R14 VanDerWaalsContact O-N 3.14Å |
| 13 | V | 59.6 | Low | 68.8 | Low | 83 Ų | 83 | 133.6 Ų | 133.6 | 50% | 0.503 | 70% | 0.697 | S | S | . | * | trans | -66 | 120.3 | 179.7 | -160.2 | 0 | 0 | 0 | 0 | 108.1 | L9 Q10 I15 | L9-V13 WeakPolarHBondContact O-CG2 3.41Å; Q10-V13 WeakPolarHBondContact O-CG2 3.43Å; V13-I15 HydrophobicContact CB-CD1 4.02Å; V13-I15 HydrophobicContact CB-CG1 3.8Å; V13-I15 HydrophobicContact CG1-CD1 3.74Å; V13-I15 HydrophobicContact CG1-CG1 3.42Å; V13-I15 VanDerWaalsContact CG1-CG1 3.42Å; V13-I15 PolarHBondContact O-N 3.22Å | ||
| 14 | R | 58.2 | Low | 68.1 | Low | 251 Ų | 251 | 134.7 Ų | 134.7 | 95% | 0.947 | 70% | 0.7 | S | S | * | * | trans | -67.2 | 42.8 | 179.5 | -67.8 | 176.1 | 178.4 | 145.7 | -0.7 | 112.8 | Q12 G16 | Q12-R14 PolarHBondContact O-N 3.21Å; Q12-R14 VanDerWaalsContact O-N 3.14Å; R14-G16 PolarHBondContact O-N 3.21Å | ||
| 15 | I | 61.4 | Low | 68 | Low | 140 Ų | 140 | 136.6 Ų | 136.6 | 72% | 0.718 | 71% | 0.705 | S | S | * | * | trans | -83.1 | 94.7 | 173.6 | -39 | -180 | 0 | 0 | 0 | 105.2 | V13 G17 | V13-I15 HydrophobicContact CB-CD1 4.02Å; V13-I15 HydrophobicContact CB-CG1 3.8Å; V13-I15 HydrophobicContact CG1-CD1 3.74Å; V13-I15 HydrophobicContact CG1-CG1 3.42Å; V13-I15 VanDerWaalsContact CG1-CG1 3.42Å; V13-I15 PolarHBondContact O-N 3.22Å; I15-G17 PolarHBondContact O-N 2.86Å | ||
| 16 | G | 60.9 | Low | 68.1 | Low | 62 Ų | 62 | 137.7 Ų | 137.7 | 64% | 0.639 | 71% | 0.71 | S | S | * | * | trans | -59.3 | 95.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R14 T20 | R14-G16 PolarHBondContact O-N 3.21Å; G16-T20 VanDerWaalsContact C-OG1 3.27Å; G16-T20 WeakPolarHBondContact CA-OG1 3.49Å | ||
| 17 | G | 65.4 | Low | 68.2 | Low | 41 Ų | 41 | 138.1 Ų | 138.1 | 42% | 0.423 | 72% | 0.716 | S | S | . | * | trans | -77.6 | 170.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I15 G19 T20 | I15-G17 PolarHBondContact O-N 2.86Å; G17-G19 PolarHBondContact O-N 3.49Å; G17-G19 VanDerWaalsContact O-N 3.13Å; G17-T20 PolarHBondContact N-OG1 3.49Å; G17-T20 WeakPolarHBondContact O-CB 3.47Å; G17-T20 WeakPolarHBondContact O-CG2 3.31Å; G17-T20 PolarHBondContact O-N 2.98Å; G17-T20 PolarHBondContact O-OG1 2.85Å | ||
| 18 | K | 65.7 | Low | 68.3 | Low | 230 Ų | 230 | 139.7 Ų | 139.7 | 100% | 1 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | 115.5 | 175 | -166.8 | 178.1 | -177.5 | -179.4 | 0 | 109.2 | ||
| 19 | G | 69.8 | Low | 68.4 | Low | 83 Ų | 83 | 139.8 Ų | 139.8 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.5 | -7.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.8 | G17 | G17-G19 PolarHBondContact O-N 3.49Å; G17-G19 VanDerWaalsContact O-N 3.13Å |
| 20 | T | 67.4 | Low | 68.4 | Low | 74 Ų | 74 | 144.3 Ų | 144.3 | 45% | 0.454 | 73% | 0.731 | S | S | . | * | S | Bend | trans | -71 | 144.8 | 173.4 | 60.6 | 0 | 0 | 0 | 0 | 111.7 | G16 G17 R22 | G16-T20 VanDerWaalsContact C-OG1 3.27Å; G16-T20 WeakPolarHBondContact CA-OG1 3.49Å; G17-T20 PolarHBondContact N-OG1 3.49Å; G17-T20 WeakPolarHBondContact O-CB 3.47Å; G17-T20 WeakPolarHBondContact O-CG2 3.31Å; G17-T20 PolarHBondContact O-N 2.98Å; G17-T20 PolarHBondContact O-OG1 2.85Å; T20-R22 PolarHBondContact O-N 3.19Å |
| 21 | A | 64 | Low | 68.5 | Low | 107 Ų | 107 | 141.7 Ų | 141.7 | 88% | 0.884 | 73% | 0.725 | S | S | * | * | trans | -62.3 | 94.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R23 | A21-R23 PolarHBondContact O-N 3.34Š| ||
| 22 | R | 64.9 | Low | 68.9 | Low | 234 Ų | 234 | 141.4 Ų | 141.4 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | trans | -70 | 121.1 | 175.1 | -152.2 | 175.8 | -169.3 | -155.4 | 3.1 | 107.9 | T20 K24 | T20-R22 PolarHBondContact O-N 3.19Å; R22-K24 PolarHBondContact O-N 3.38Å | ||
| 23 | R | 69.3 | Low | 69.2 | Low | 238 Ų | 238 | 139.2 Ų | 139.2 | 90% | 0.898 | 72% | 0.72 | S | S | * | * | trans | -55 | 115.2 | 174.8 | -168.5 | -177.9 | -168.7 | -166.9 | 5 | 108.1 | A21 K25 | A21-R23 PolarHBondContact O-N 3.34Å; R23-K25 PolarHBondContact O-N 3.37Å | ||
| 24 | K | 70 | Confident | 69.9 | Low | 194 Ų | 194 | 137.2 Ų | 137.2 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | trans | -58.5 | 134.3 | 175.4 | -66 | -168.7 | 178.7 | -175.3 | 0 | 108.4 | R22 K26 | R22-K24 PolarHBondContact O-N 3.38Å; K24-K26 PolarHBondContact O-N 3.11Å | ||
| 25 | K | 78 | Confident | 71.1 | Confident | 186 Ų | 186 | 128.4 Ų | 128.4 | 81% | 0.809 | 68% | 0.683 | S | S | * | * | trans | -55.1 | 109.3 | 173.6 | -179.3 | -177.9 | -179.6 | -178 | 0 | 107.9 | R23 V27 | R23-K25 PolarHBondContact O-N 3.37Å; K25-V27 HydrophobicContact CD-CG2 4.1Å; K25-V27 HydrophobicContact CG-CG2 4.08Å; K25-V27 PolarHBondContact O-N 3.49Å; K25-V27 VanDerWaalsContact O-N 3.16Å | ||
| 26 | K | 78.6 | Confident | 72.3 | Confident | 175 Ų | 175 | 126.1 Ų | 126.1 | 76% | 0.761 | 67% | 0.673 | S | S | * | * | trans | -77.2 | 98.6 | 169.5 | -172 | -178.2 | -176.8 | -179.3 | 0 | 107 | K24 V28 | K24-K26 PolarHBondContact O-N 3.11Å; K26-V28 HydrophobicContact CD-CG2 3.92Å; K26-V28 HydrophobicContact CG-CG2 3.86Å; K26-V28 PolarHBondContact O-N 3.25Å | ||
| 27 | V | 79.3 | Confident | 73.5 | Confident | 84 Ų | 84 | 130.6 Ų | 130.6 | 51% | 0.509 | 68% | 0.675 | S | S | . | * | trans | -75.5 | 107.9 | 166.4 | -177.4 | 0 | 0 | 0 | 0 | 106.3 | K25 | K25-V27 HydrophobicContact CD-CG2 4.1Å; K25-V27 HydrophobicContact CG-CG2 4.08Å; K25-V27 PolarHBondContact O-N 3.49Å; K25-V27 VanDerWaalsContact O-N 3.16Å | ||
| 28 | V | 78.3 | Confident | 74.7 | Confident | 94 Ų | 94 | 135 Ų | 135 | 57% | 0.57 | 68% | 0.682 | S | S | * | * | trans | -90 | 107 | 173.9 | -178.8 | 0 | 0 | 0 | 0 | 106.9 | K26 R30 | K26-V28 HydrophobicContact CD-CG2 3.92Å; K26-V28 HydrophobicContact CG-CG2 3.86Å; K26-V28 PolarHBondContact O-N 3.25Å; V28-R30 PolarHBondContact O-N 3.37Å | ||
| 29 | H | 76.8 | Confident | 75.9 | Confident | 161 Ų | 161 | 128.3 Ų | 128.3 | 75% | 0.745 | 66% | 0.657 | S | S | * | * | trans | -73.6 | 111.2 | 164.9 | -66.1 | -74.6 | 0 | 0 | 0 | 107.8 | ||||
| 30 | R | 71.1 | Confident | 76.9 | Confident | 207 Ų | 207 | 126.1 Ų | 126.1 | 78% | 0.781 | 62% | 0.624 | S | S | * | * | trans | -75.8 | 123.4 | 168.5 | -75.8 | -171.3 | 176.7 | 175.6 | -0.7 | 108 | V28 | V28-R30 PolarHBondContact O-N 3.37Š| ||
| 31 | T | 71.3 | Confident | 78.1 | Confident | 88 Ų | 88 | 126 Ų | 126 | 54% | 0.54 | 63% | 0.627 | S | S | . | * | trans | -85.4 | 124.1 | 170.5 | 49.2 | 0 | 0 | 0 | 0 | 108.6 | T33 A34 | T31-T33 PolarHBondContact O-N 2.89Å; T31-A34 PolarHBondContact O-N 3.19Å; T31-A34 VanDerWaalsContact O-N 3.16Å | ||
| 32 | A | 73.5 | Confident | 79.4 | Confident | 83 Ų | 83 | 123.9 Ų | 123.9 | 69% | 0.686 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -55.8 | -28.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A34 D35 D36 | A32-A34 PolarHBondContact O-N 3.46Å; A32-D35 PolarHBondContact O-N 2.94Å; A32-D36 PolarHBondContact O-N 2.63Å |
| 33 | T | 70.7 | Confident | 80.7 | Confident | 108 Ų | 108 | 113.7 Ų | 113.7 | 66% | 0.663 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.9 | -30.8 | -178.9 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | T31 D35 | T31-T33 PolarHBondContact O-N 2.89Å; T33-D35 VanDerWaalsContact C-N 3.33Å |
| 34 | A | 73.5 | Confident | 81.7 | Confident | 41 Ų | 41 | 109.8 Ų | 109.8 | 34% | 0.339 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -74.1 | -29.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T31 A32 K38 | T31-A34 PolarHBondContact O-N 3.19Å; T31-A34 VanDerWaalsContact O-N 3.16Å; A32-A34 PolarHBondContact O-N 3.46Å; A34-K38 WeakPolarHBondContact O-CG 3.32Å; A34-K38 PolarHBondContact O-N 3.41Å |
| 35 | D | 83.1 | Confident | 82.8 | Confident | 66 Ų | 66 | 109.1 Ų | 109.1 | 35% | 0.353 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -76.6 | -38.6 | -177.8 | -68.7 | -23.8 | 0 | 0 | 0 | 111.1 | A32 T33 K37 K38 L39 | A32-D35 PolarHBondContact O-N 2.94Å; T33-D35 VanDerWaalsContact C-N 3.33Å; D35-K37 PolarHBondContact O-N 3.22Å; D35-K38 PolarHBondContact O-N 3.32Å; D35-L39 WeakPolarHBondContact O-CB 3.31Å; D35-L39 PolarHBondContact O-N 2.87Å |
| 36 | D | 86.3 | Confident | 83.5 | Confident | 92 Ų | 92 | 104.3 Ų | 104.3 | 49% | 0.492 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 175.4 | -178.5 | 63.7 | 0 | 0 | 0 | 112.6 | A32 K38 L39 Q40 | A32-D36 PolarHBondContact O-N 2.63Å; D36-K38 VanDerWaalsContact C-N 3.32Å; D36-K38 PolarHBondContact O-N 2.86Å; D36-L39 WeakPolarHBondContact O-CB 3.43Å; D36-L39 PolarHBondContact O-N 2.76Å; D36-Q40 WeakPolarHBondContact O-CG 3.43Å; D36-Q40 PolarHBondContact O-N 2.92Å |
| 37 | K | 87.7 | Confident | 84.1 | Confident | 157 Ų | 157 | 98.8 Ų | 98.8 | 68% | 0.683 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.6 | -40.9 | 176.1 | -73.2 | -172.1 | 178.8 | -178.6 | 0 | 112.3 | D35 Q40 S41 | D35-K37 PolarHBondContact O-N 3.22Å; K37-Q40 PolarHBondContact O-N 3.07Å; K37-S41 PolarHBondContact O-N 3.29Å; K37-S41 PolarHBondContact O-OG 3.22Å; K37-S41 VanDerWaalsContact O-OG 3.13Å |
| 38 | K | 90.3 | Very high | 84.8 | Confident | 132 Ų | 132 | 95.4 Ų | 95.4 | 57% | 0.574 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.9 | -38 | 177.4 | -72.6 | 174.5 | -176.3 | 172.4 | 0 | 112 | A34 D35 D36 S41 S42 | A34-K38 WeakPolarHBondContact O-CG 3.32Å; A34-K38 PolarHBondContact O-N 3.41Å; D35-K38 PolarHBondContact O-N 3.32Å; D36-K38 VanDerWaalsContact C-N 3.32Å; D36-K38 PolarHBondContact O-N 2.86Å; K38-S41 PolarHBondContact O-N 3.3Å; K38-S42 WeakPolarHBondContact O-CB 3.49Å; K38-S42 PolarHBondContact O-N 3.48Å; K38-S42 PolarHBondContact O-OG 3.26Å |
| 39 | L | 90.6 | Very high | 85.6 | Confident | 90 Ų | 90 | 96.6 Ų | 96.6 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -49.5 | 175.1 | -178.9 | 63.9 | 0 | 0 | 0 | 110.2 | D35 D36 S41 S42 L43 | D35-L39 WeakPolarHBondContact O-CB 3.31Å; D35-L39 PolarHBondContact O-N 2.87Å; D36-L39 WeakPolarHBondContact O-CB 3.43Å; D36-L39 PolarHBondContact O-N 2.76Å; L39-S41 VanDerWaalsContact C-N 3.33Å; L39-S41 PolarHBondContact O-N 3.44Å; L39-S42 WeakPolarHBondContact O-CB 3.32Å; L39-S42 PolarHBondContact O-N 3.47Å; L39-L43 HydrophobicContact CD1-CG 4.48Å; L39-L43 HydrophobicContact CG-CD1 4.18Å; L39-L43 WeakPolarHBondContact O-CG 3.24Å; L39-L43 PolarHBondContact O-N 3.39Å |
| 40 | Q | 90.2 | Very high | 86.4 | Confident | 37 Ų | 37 | 93.7 Ų | 93.7 | 17% | 0.173 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 176 | -71.8 | -63.2 | -34.7 | 0 | 0 | 112.5 | D36 K37 S42 K44 | D36-Q40 WeakPolarHBondContact O-CG 3.43Å; D36-Q40 PolarHBondContact O-N 2.92Å; K37-Q40 PolarHBondContact O-N 3.07Å; Q40-S42 VanDerWaalsContact C-N 3.3Å; Q40-S42 PolarHBondContact O-N 2.98Å; Q40-K44 WeakPolarHBondContact O-CG 3.34Å; Q40-K44 PolarHBondContact O-N 3.23Å |
| 41 | S | 92 | Very high | 87.5 | Confident | 72 Ų | 72 | 87.2 Ų | 87.2 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -35.9 | 173.3 | -64.3 | 0 | 0 | 0 | 0 | 113 | K37 K38 L39 K45 | K37-S41 PolarHBondContact O-N 3.29Å; K37-S41 PolarHBondContact O-OG 3.22Å; K37-S41 VanDerWaalsContact O-OG 3.13Å; K38-S41 PolarHBondContact O-N 3.3Å; L39-S41 VanDerWaalsContact C-N 3.33Å; L39-S41 PolarHBondContact O-N 3.44Å; S41-K45 WeakPolarHBondContact O-CG 3.46Å; S41-K45 PolarHBondContact O-N 3.05Å |
| 42 | S | 92.4 | Very high | 88.6 | Confident | 63 Ų | 63 | 87.6 Ų | 87.6 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72.8 | -43.1 | 179.4 | -56 | 0 | 0 | 0 | 0 | 111.3 | K38 L39 Q40 K44 K45 L46 | K38-S42 WeakPolarHBondContact O-CB 3.49Å; K38-S42 PolarHBondContact O-N 3.48Å; K38-S42 PolarHBondContact O-OG 3.26Å; L39-S42 WeakPolarHBondContact O-CB 3.32Å; L39-S42 PolarHBondContact O-N 3.47Å; Q40-S42 VanDerWaalsContact C-N 3.3Å; Q40-S42 PolarHBondContact O-N 2.98Å; S42-K44 PolarHBondContact O-N 3.26Å; S42-K45 WeakPolarHBondContact O-CB 3.26Å; S42-K45 PolarHBondContact O-N 3.14Å; S42-K45 VanDerWaalsContact O-N 3.13Å; S42-L46 PolarHBondContact O-N 3.46Å |
| 43 | L | 92.7 | Very high | 89.6 | Confident | 19 Ų | 19 | 87.1 Ų | 87.1 | 10% | 0.099 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -59.2 | -44 | 174.4 | -74.7 | 176.9 | 0 | 0 | 0 | 111.8 | L39 K45 L46 V48 A84 | L39-L43 HydrophobicContact CD1-CG 4.48Å; L39-L43 HydrophobicContact CG-CD1 4.18Å; L39-L43 WeakPolarHBondContact O-CG 3.24Å; L39-L43 PolarHBondContact O-N 3.39Å; L43-K45 VanDerWaalsContact C-N 3.25Å; L43-K45 PolarHBondContact O-N 2.89Å; L43-L46 WeakPolarHBondContact O-CB 3.46Å; L43-L46 PolarHBondContact O-N 2.98Å; L43-V48 HydrophobicContact CB-CG2 3.75Å; L43-V48 HydrophobicContact CD2-CG1 4.5Å; L43-V48 WeakPolarHBondContact O-CG2 3.34Å; L43-A84 HydrophobicContact CD1-CB 3.93Å; L43-A84 HydrophobicContact CD2-CB 3.69Å; L43-A84 HydrophobicContact CG-CB 4.49Å |
| 44 | K | 90.4 | Very high | 90.9 | Very high | 156 Ų | 156 | 84.3 Ų | 84.3 | 68% | 0.678 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.3 | -32.2 | 175.2 | -75.8 | -179.8 | -179.8 | -173.3 | 0 | 113.6 | Q40 S42 L46 A47 | Q40-K44 WeakPolarHBondContact O-CG 3.34Å; Q40-K44 PolarHBondContact O-N 3.23Å; S42-K44 PolarHBondContact O-N 3.26Å; K44-L46 VanDerWaalsContact C-N 3.27Å; K44-L46 PolarHBondContact O-N 3.1Å; K44-A47 PolarHBondContact O-N 2.81Å; K44-A47 VanDerWaalsContact O-N 3.12Å |
| 45 | K | 91.9 | Very high | 91.9 | Very high | 181 Ų | 181 | 89.4 Ų | 89.4 | 79% | 0.787 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.4 | -26.2 | 175.8 | -69.5 | 175.7 | -177.8 | -177.1 | 0 | 113 | S41 S42 L43 A47 | S41-K45 WeakPolarHBondContact O-CG 3.46Å; S41-K45 PolarHBondContact O-N 3.05Å; S42-K45 WeakPolarHBondContact O-CB 3.26Å; S42-K45 PolarHBondContact O-N 3.14Å; S42-K45 VanDerWaalsContact O-N 3.13Å; L43-K45 VanDerWaalsContact C-N 3.25Å; L43-K45 PolarHBondContact O-N 2.89Å; K45-A47 PolarHBondContact O-N 2.9Å |
| 46 | L | 91.9 | Very high | 92.5 | Very high | 85 Ų | 85 | 89.9 Ų | 89.9 | 45% | 0.445 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 7.8 | 173.1 | -65.5 | 172.3 | 0 | 0 | 0 | 112.7 | S42 L43 K44 V48 S77 T82 | S42-L46 PolarHBondContact O-N 3.46Å; L43-L46 WeakPolarHBondContact O-CB 3.46Å; L43-L46 PolarHBondContact O-N 2.98Å; K44-L46 VanDerWaalsContact C-N 3.27Å; K44-L46 PolarHBondContact O-N 3.1Å; L46-V48 HydrophobicContact CB-CG1 4.15Å; L46-V48 PolarHBondContact O-N 3.19Å; L46-S77 WeakPolarHBondContact O-CB 3.34Å; L46-S77 PolarHBondContact O-OG 3.14Å; L46-T82 HydrophobicContact CD1-CG2 4.43Å |
| 47 | A | 91.9 | Very high | 93 | Very high | 59 Ų | 59 | 86.8 Ų | 86.8 | 49% | 0.488 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 37.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K44 K45 | K44-A47 PolarHBondContact O-N 2.81Å; K44-A47 VanDerWaalsContact O-N 3.12Å; K45-A47 PolarHBondContact O-N 2.9Å |
| 48 | V | 94.5 | Very high | 93.3 | Very high | 12 Ų | 12 | 80.6 Ų | 80.6 | 7% | 0.073 | 45% | 0.449 | C | S | . | . | trans | -70.7 | 136.3 | 174.2 | -53.1 | 0 | 0 | 0 | 0 | 110.7 | L43 L46 Q75 A76 | L43-V48 HydrophobicContact CB-CG2 3.75Å; L43-V48 HydrophobicContact CD2-CG1 4.5Å; L43-V48 WeakPolarHBondContact O-CG2 3.34Å; L46-V48 HydrophobicContact CB-CG1 4.15Å; L46-V48 PolarHBondContact O-N 3.19Å; V48-Q75 HydrophobicContact CB-CB 4.11Å; V48-Q75 HydrophobicContact CG2-CB 3.81Å; V48-A76 WeakPolarHBondContact CA-O 3.31Å | ||
| 49 | N | 94 | Very high | 93.6 | Very high | 119 Ų | 119 | 78 Ų | 78 | 64% | 0.636 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 146.4 | 176.2 | -65.2 | -49 | 0 | 0 | 0 | 109.9 | Q75 A76 | N49-Q75 CarbonylContact O-C 3.46Å; N49-Q75 VanDerWaalsContact O-CA 3.24Å; N49-Q75 WeakPolarHBondContact O-CA 3.22Å; N49-A76 PolarHBondContact N-O 2.87Å; N49-A76 PolarHBondContact O-N 2.77Å |
| 50 | N | 93.9 | Very high | 93.7 | Very high | 100 Ų | 100 | 76.7 Ų | 76.7 | 54% | 0.535 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 134.4 | 175 | -72.3 | 29.1 | 0 | 0 | 0 | 110.4 | K73 V74 Q75 | N50-K73 WeakPolarHBondContact ND2-CE 3.26Å; N50-V74 WeakPolarHBondContact CA-O 3.49Å; N50-Q75 WeakPolarHBondContact OD1-CG 3.47Å; N50-Q75 PolarHBondContact OD1-NE2 3.06Å |
| 51 | I | 94.1 | Very high | 93.7 | Very high | 71 Ų | 71 | 78.8 Ų | 78.8 | 36% | 0.364 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 120.4 | 168.1 | -55.2 | 176.4 | 0 | 0 | 0 | 107.4 | I54 V74 A76 | I51-I54 HydrophobicContact CB-CD1 4.39Å; I51-I54 HydrophobicContact CB-CG1 4.27Å; I51-I54 HydrophobicContact CG2-CD1 3.68Å; I51-I54 HydrophobicContact CG2-CG1 4Å; I51-V74 HydrophobicContact CD1-CG1 4.39Å; I51-V74 PolarHBondContact N-O 2.78Å; I51-A76 HydrophobicContact CD1-CB 3.51Å; I51-A76 HydrophobicContact CG1-CB 4.11Å |
| 52 | A | 95 | Very high | 93.5 | Very high | 96 Ų | 96 | 82.7 Ų | 82.7 | 79% | 0.793 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -85.7 | 154.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 53 | G | 95.2 | Very high | 93.3 | Very high | 74 Ų | 74 | 84.1 Ų | 84.1 | 76% | 0.763 | 46% | 0.459 | S | S | * | . | trans | 74.6 | 21.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115 | E55 | G53-E55 PolarHBondContact O-N 2.85Š| ||
| 54 | I | 96.5 | Very high | 93 | Very high | 48 Ų | 48 | 84 Ų | 84 | 25% | 0.246 | 46% | 0.462 | C | S | . | . | trans | -73.2 | 118 | 171.9 | -59.4 | -56.8 | 0 | 0 | 0 | 109.4 | I51 E56 V57 P72 V74 | I51-I54 HydrophobicContact CB-CD1 4.39Å; I51-I54 HydrophobicContact CB-CG1 4.27Å; I51-I54 HydrophobicContact CG2-CD1 3.68Å; I51-I54 HydrophobicContact CG2-CG1 4Å; I54-E56 WeakPolarHBondContact CG2-O 3.42Å; I54-V57 HydrophobicContact CG2-CG2 4Å; I54-P72 HydrophobicContact CG2-CG 3.91Å; I54-V74 HydrophobicContact CB-CG2 4.1Å; I54-V74 HydrophobicContact CG1-CB 3.99Å; I54-V74 HydrophobicContact CG1-CG2 3.9Å; I54-V74 HydrophobicContact CG2-CG2 3.87Å | ||
| 55 | E | 95.8 | Very high | 93.1 | Very high | 149 Ų | 149 | 78.3 Ų | 78.3 | 70% | 0.696 | 44% | 0.441 | S | S | * | . | trans | -82.3 | -42.4 | 178.9 | -65.4 | -178.6 | 178.3 | 0 | 0 | 111.5 | G53 N71 | G53-E55 PolarHBondContact O-N 2.85Å; E55-N71 VanDerWaalsContact O-CA 3.3Å; E55-N71 WeakPolarHBondContact O-CA 2.9Å; E55-N71 PolarHBondContact O-N 2.8Å | ||
| 56 | E | 94.9 | Very high | 93.2 | Very high | 76 Ų | 76 | 69.7 Ų | 69.7 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 157.7 | -179.6 | 55.2 | 174.8 | -140.2 | 0 | 0 | 112.4 | I54 N58 H68 F69 Q104 | I54-E56 WeakPolarHBondContact CG2-O 3.42Å; E56-N58 PolarHBondContact OE1-ND2 2.88Å; E56-H68 IonicContact OE2-CE1 2.8Å; E56-F69 WeakPolarHBondContact CA-O 3.49Å; E56-Q104 PolarHBondContact OE1-NE2 3.35Å |
| 57 | V | 96.4 | Very high | 93.4 | Very high | 26 Ų | 26 | 67.9 Ų | 67.9 | 16% | 0.158 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 130.6 | 166.6 | 169 | 0 | 0 | 0 | 0 | 107.6 | I54 M59 F69 P72 V74 I85 | I54-V57 HydrophobicContact CG2-CG2 4Å; V57-M59 HydrophobicContact CG1-CG 4.49Å; V57-F69 HydrophobicContact CB-CB 4.18Å; V57-F69 HydrophobicContact CB-CD2 4.2Å; V57-F69 HydrophobicContact CG1-CD2 4.15Å; V57-F69 PolarHBondContact N-O 2.87Å; V57-F69 PolarHBondContact O-N 2.74Å; V57-P72 HydrophobicContact CB-CG 4.09Å; V57-P72 HydrophobicContact CG2-CG 3.6Å; V57-V74 HydrophobicContact CG2-CG2 3.92Å; V57-I85 HydrophobicContact CB-CD1 4.31Å; V57-I85 HydrophobicContact CB-CG2 4.31Å; V57-I85 HydrophobicContact CG1-CD1 3.42Å; V57-I85 VanDerWaalsContact CG1-CD1 3.42Å; V57-I85 HydrophobicContact CG1-CG2 4.29Å; V57-I85 HydrophobicContact CG2-CD1 4.07Å; V57-I85 HydrophobicContact CG2-CG2 4.13Å |
| 58 | N | 95.8 | Very high | 93.7 | Very high | 27 Ų | 27 | 65.5 Ų | 65.5 | 14% | 0.144 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 122.2 | 175.9 | -66 | -41 | 0 | 0 | 0 | 109.9 | E56 V66 H68 I101 Q104 | E56-N58 PolarHBondContact OE1-ND2 2.88Å; N58-V66 HydrophobicContact CB-CG1 3.81Å; N58-H68 PolarHBondContact OD1-ND1 3.36Å; N58-I101 HydrophobicContact CB-CD1 4.26Å; N58-Q104 PolarHBondContact ND2-OE1 3.21Å |
| 59 | M | 95.1 | Very high | 93.8 | Very high | 78 Ų | 78 | 65.8 Ų | 65.8 | 38% | 0.384 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 102.1 | 167.7 | -50.8 | -178.9 | 177.2 | 0 | 0 | 108.5 | V57 V66 I67 F69 I85 | V57-M59 HydrophobicContact CG1-CG 4.49Å; M59-V66 CarbonylContact O-C 3.6Å; M59-V66 WeakPolarHBondContact O-CA 3.32Å; M59-I67 HydrophobicContact CB-CB 4.05Å; M59-I67 HydrophobicContact CB-CG1 4.43Å; M59-I67 PolarHBondContact N-O 2.98Å; M59-I67 PolarHBondContact O-N 2.74Å; M59-I67 HydrophobicContact SD-CD1 4.45Å; M59-F69 HydrophobicContact CE-CE2 3.86Å; M59-F69 HydrophobicContact CE-CZ 4.32Å; M59-F69 HydrophobicContact CG-CE2 4.4Å; M59-F69 HydrophobicContact SD-CE2 4.15Å; M59-I85 HydrophobicContact CE-CD1 3.82Å |
| 60 | I | 92.5 | Very high | 93.9 | Very high | 62 Ų | 62 | 65 Ų | 65 | 32% | 0.318 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 124.1 | -179.1 | -59.3 | 144 | 0 | 0 | 0 | 108.6 | V66 L105 | I60-V66 HydrophobicContact CG1-CG2 4.2Å; I60-L105 HydrophobicContact CD1-CD2 3.46Å; I60-L105 VanDerWaalsContact CD1-CD2 3.46Å; I60-L105 HydrophobicContact CG1-CD2 4.02Å; I60-L105 HydrophobicContact CG2-CD2 4.28Å |
| 61 | K | 90.8 | Very high | 94.1 | Very high | 81 Ų | 81 | 65.6 Ų | 65.6 | 35% | 0.352 | 37% | 0.372 | S | S | . | . | trans | -95.4 | 165.7 | 173.9 | -57.9 | -172.8 | -157.4 | 155.6 | 0 | 110.8 | D63 T65 | K61-D63 VanDerWaalsContact C-N 3.34Å; K61-D63 VanDerWaalsContact CB-OD1 3.24Å; K61-D63 WeakPolarHBondContact CB-OD1 3.42Å; K61-T65 WeakPolarHBondContact CB-O 3.44Å; K61-T65 WeakPolarHBondContact CD-OG1 3.24Å; K61-T65 PolarHBondContact N-O 3.08Å; K61-T65 PolarHBondContact NZ-OG1 3.24Å | ||
| 62 | D | 87.8 | Confident | 94.2 | Very high | 155 Ų | 155 | 62.7 Ų | 62.7 | 83% | 0.829 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -22.5 | 175.8 | 53.8 | -12.2 | 0 | 0 | 0 | 113.6 | G64 | D62-G64 PolarHBondContact O-N 3.43Š|
| 63 | D | 88.4 | Confident | 94.2 | Very high | 92 Ų | 92 | 62.9 Ų | 62.9 | 49% | 0.492 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 1.2 | 178 | 68.4 | 2.9 | 0 | 0 | 0 | 114.9 | K61 T65 | K61-D63 VanDerWaalsContact C-N 3.34Å; K61-D63 VanDerWaalsContact CB-OD1 3.24Å; K61-D63 WeakPolarHBondContact CB-OD1 3.42Å; D63-T65 WeakPolarHBondContact OD1-CB 3.41Å; D63-T65 PolarHBondContact OD1-N 3Å; D63-T65 PolarHBondContact OD1-OG1 3.18Å; D63-T65 PolarHBondContact OD2-OG1 3.43Å |
| 64 | G | 86.6 | Confident | 94.3 | Very high | 17 Ų | 17 | 59.7 Ų | 59.7 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 82.9 | 10.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D62 I94 | D62-G64 PolarHBondContact O-N 3.43Å; G64-I94 WeakPolarHBondContact O-CB 3.44Å; G64-I94 VanDerWaalsContact O-CG2 3.26Å; G64-I94 WeakPolarHBondContact O-CG2 3.49Å; G64-I94 PolarHBondContact O-N 3.32Å |
| 65 | T | 91.9 | Very high | 94.2 | Very high | 37 Ų | 37 | 57.8 Ų | 57.8 | 23% | 0.227 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 155.2 | 170.4 | 70.9 | 0 | 0 | 0 | 0 | 112.2 | K61 D63 K92 | K61-T65 WeakPolarHBondContact CB-O 3.44Å; K61-T65 WeakPolarHBondContact CD-OG1 3.24Å; K61-T65 PolarHBondContact N-O 3.08Å; K61-T65 PolarHBondContact NZ-OG1 3.24Å; D63-T65 WeakPolarHBondContact OD1-CB 3.41Å; D63-T65 PolarHBondContact OD1-N 3Å; D63-T65 PolarHBondContact OD1-OG1 3.18Å; D63-T65 PolarHBondContact OD2-OG1 3.43Å; T65-K92 CarbonylContact C-O 3.56Å; T65-K92 WeakPolarHBondContact CA-O 3.5Å |
| 66 | V | 94.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.1 | 176 | -177.3 | 0 | 0 | 0 | 0 | 108 | N58 M59 I60 H68 A91 K92 I94 M97 | N58-V66 HydrophobicContact CB-CG1 3.81Å; M59-V66 CarbonylContact O-C 3.6Å; M59-V66 WeakPolarHBondContact O-CA 3.32Å; I60-V66 HydrophobicContact CG1-CG2 4.2Å; V66-H68 PolarHBondContact O-N 3.36Å; V66-A91 WeakPolarHBondContact O-CA 3.1Å; V66-K92 PolarHBondContact N-O 3.12Å; V66-K92 PolarHBondContact O-N 3.48Å; V66-I94 HydrophobicContact CG2-CB 4.26Å; V66-I94 HydrophobicContact CG2-CG1 4.28Å; V66-M97 HydrophobicContact CB-SD 4.09Å; V66-M97 HydrophobicContact CG1-SD 3.97Å; V66-M97 HydrophobicContact CG2-SD 4.36Å |
| 67 | I | 96.7 | Very high | 94.3 | Very high | 46 Ų | 46 | 47.4 Ų | 47.4 | 24% | 0.236 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 103.6 | 163.7 | -46.1 | -179.2 | 0 | 0 | 0 | 106.8 | M59 F69 A89 | M59-I67 HydrophobicContact CB-CB 4.05Å; M59-I67 HydrophobicContact CB-CG1 4.43Å; M59-I67 PolarHBondContact N-O 2.98Å; M59-I67 PolarHBondContact O-N 2.74Å; M59-I67 HydrophobicContact SD-CD1 4.45Å; I67-F69 HydrophobicContact CB-CE2 4.39Å; I67-F69 HydrophobicContact CG2-CD2 4.36Å; I67-F69 HydrophobicContact CG2-CE2 3.6Å; I67-F69 HydrophobicContact CG2-CZ 3.98Å; I67-A89 HydrophobicContact CG2-CB 3.77Å |
| 68 | H | 96.7 | Very high | 94 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 134.6 | -179.1 | 177.7 | 72.3 | 0 | 0 | 0 | 110.5 | E56 N58 V66 E90 K92 | E56-H68 IonicContact OE2-CE1 2.8Å; N58-H68 PolarHBondContact OD1-ND1 3.36Å; V66-H68 PolarHBondContact O-N 3.36Å; H68-E90 PolarHBondContact N-O 3.07Å; H68-E90 PolarHBondContact O-N 3.47Å; H68-K92 HydrophobicContact CB-CD 4.27Å |
| 69 | F | 97.8 | Very high | 93.9 | Very high | 19 Ų | 19 | 56.6 Ų | 56.6 | 8% | 0.083 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 125.1 | 170.2 | -62.2 | -100.6 | 0 | 0 | 0 | 108.9 | E56 V57 M59 I67 P72 I85 H88 A89 | E56-F69 WeakPolarHBondContact CA-O 3.49Å; V57-F69 HydrophobicContact CB-CB 4.18Å; V57-F69 HydrophobicContact CB-CD2 4.2Å; V57-F69 HydrophobicContact CG1-CD2 4.15Å; V57-F69 PolarHBondContact N-O 2.87Å; V57-F69 PolarHBondContact O-N 2.74Å; M59-F69 HydrophobicContact CE-CE2 3.86Å; M59-F69 HydrophobicContact CE-CZ 4.32Å; M59-F69 HydrophobicContact CG-CE2 4.4Å; M59-F69 HydrophobicContact SD-CE2 4.15Å; I67-F69 HydrophobicContact CB-CE2 4.39Å; I67-F69 HydrophobicContact CG2-CD2 4.36Å; I67-F69 HydrophobicContact CG2-CE2 3.6Å; I67-F69 HydrophobicContact CG2-CZ 3.98Å; F69-P72 HydrophobicContact CB-CB 3.91Å; F69-P72 HydrophobicContact CB-CG 3.84Å; F69-I85 HydrophobicContact CD1-CG2 4.28Å; F69-I85 HydrophobicContact CD2-CG2 4.42Å; F69-I85 HydrophobicContact CE1-CG2 4.42Å; F69-I85 HydrophobicContact CG-CG2 4.27Å; F69-H88 VanDerWaalsContact CD1-O 3.26Å; F69-H88 WeakPolarHBondContact CD1-O 3.37Å; F69-A89 HydrophobicContact CD1-CB 4.09Å; F69-A89 HydrophobicContact CE1-CB 3.48Å; F69-A89 VanDerWaalsContact CE1-CB 3.48Å; F69-A89 HydrophobicContact CE2-CB 4.3Å; F69-A89 HydrophobicContact CZ-CB 3.59Å |
| 70 | N | 96.4 | Very high | 93.8 | Very high | 102 Ų | 102 | 54.9 Ų | 54.9 | 55% | 0.545 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 127.3 | 174.3 | -166.2 | -65.5 | 0 | 0 | 0 | 109.9 | P72 | N70-P72 VanDerWaalsContact C-CD 3.5Å |
| 71 | N | 96.7 | Very high | 93.8 | Very high | 113 Ų | 113 | 58.6 Ų | 58.6 | 60% | 0.604 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 42.2 | 54.2 | -175 | -63.7 | 120.7 | 0 | 0 | 0 | 115 | E55 | E55-N71 VanDerWaalsContact O-CA 3.3Å; E55-N71 WeakPolarHBondContact O-CA 2.9Å; E55-N71 PolarHBondContact O-N 2.8Å |
| 72 | P | 97 | Very high | 94 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | trans | -73.2 | 155 | -178.8 | 30.1 | -33.8 | 0 | 0 | 0 | 112.7 | I54 V57 F69 N70 V74 I85 | I54-P72 HydrophobicContact CG2-CG 3.91Å; V57-P72 HydrophobicContact CB-CG 4.09Å; V57-P72 HydrophobicContact CG2-CG 3.6Å; F69-P72 HydrophobicContact CB-CB 3.91Å; F69-P72 HydrophobicContact CB-CG 3.84Å; N70-P72 VanDerWaalsContact C-CD 3.5Å; P72-V74 HydrophobicContact CB-CG2 4.37Å; P72-V74 HydrophobicContact CG-CG2 4.07Å; P72-V74 PolarHBondContact O-N 2.87Å; P72-I85 HydrophobicContact CB-CG2 3.93Å; P72-I85 HydrophobicContact CG-CG2 4.36Å | ||
| 73 | K | 95.7 | Very high | 94.4 | Very high | 101 Ų | 101 | 55.3 Ų | 55.3 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 114.8 | 163.9 | 175.9 | -175.4 | -179 | -173.6 | 0 | 109 | N50 T86 | N50-K73 WeakPolarHBondContact ND2-CE 3.26Å; K73-T86 WeakPolarHBondContact CB-OG1 3.42Å; K73-T86 PolarHBondContact N-O 3.14Å; K73-T86 PolarHBondContact O-N 3.21Å; K73-T86 PolarHBondContact O-OG1 3.17Å |
| 74 | V | 96.5 | Very high | 94.7 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133 | -180 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | N50 I51 I54 V57 P72 A84 I85 | N50-V74 WeakPolarHBondContact CA-O 3.49Å; I51-V74 HydrophobicContact CD1-CG1 4.39Å; I51-V74 PolarHBondContact N-O 2.78Å; I54-V74 HydrophobicContact CB-CG2 4.1Å; I54-V74 HydrophobicContact CG1-CB 3.99Å; I54-V74 HydrophobicContact CG1-CG2 3.9Å; I54-V74 HydrophobicContact CG2-CG2 3.87Å; V57-V74 HydrophobicContact CG2-CG2 3.92Å; P72-V74 HydrophobicContact CB-CG2 4.37Å; P72-V74 HydrophobicContact CG-CG2 4.07Å; P72-V74 PolarHBondContact O-N 2.87Å; V74-A84 WeakPolarHBondContact CA-O 3.43Å; V74-I85 HydrophobicContact CG2-CG1 4.48Å; V74-I85 HydrophobicContact CG2-CG2 4.36Å |
| 75 | Q | 95.2 | Very high | 95.1 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 134.5 | 168.5 | -46.1 | -177.6 | -82.1 | 0 | 0 | 107.8 | V48 N49 N50 F83 A84 | V48-Q75 HydrophobicContact CB-CB 4.11Å; V48-Q75 HydrophobicContact CG2-CB 3.81Å; N49-Q75 CarbonylContact O-C 3.46Å; N49-Q75 VanDerWaalsContact O-CA 3.24Å; N49-Q75 WeakPolarHBondContact O-CA 3.22Å; N50-Q75 WeakPolarHBondContact OD1-CG 3.47Å; N50-Q75 PolarHBondContact OD1-NE2 3.06Å; Q75-F83 CarbonylContact O-C 3.58Å; Q75-A84 HydrophobicContact CB-CB 4.34Å; Q75-A84 PolarHBondContact N-O 3.3Å; Q75-A84 PolarHBondContact O-N 2.83Å |
| 76 | A | 96 | Very high | 95.2 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.033 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 145.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V48 N49 I51 T82 F83 | V48-A76 WeakPolarHBondContact CA-O 3.31Å; N49-A76 PolarHBondContact N-O 2.87Å; N49-A76 PolarHBondContact O-N 2.77Å; I51-A76 HydrophobicContact CD1-CB 3.51Å; I51-A76 HydrophobicContact CG1-CB 4.11Å; A76-T82 CarbonylContact C-O 3.59Å; A76-T82 WeakPolarHBondContact CA-O 3.44Å; A76-F83 HydrophobicContact CB-CD1 3.49Å; A76-F83 VanDerWaalsContact CB-CD1 3.49Å; A76-F83 HydrophobicContact CB-CE1 3.62Å; A76-F83 HydrophobicContact CB-CG 4.32Å |
| 77 | S | 95 | Very high | 95.2 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 106 | 165 | 178 | 0 | 0 | 0 | 0 | 107.3 | L46 S79 A80 N81 T82 | L46-S77 WeakPolarHBondContact O-CB 3.34Å; L46-S77 PolarHBondContact O-OG 3.14Å; S77-S79 VanDerWaalsContact C-N 3.26Å; S77-S79 PolarHBondContact O-N 2.86Å; S77-S79 PolarHBondContact OG-OG 3.04Å; S77-A80 CarbonylContact O-C 3.57Å; S77-A80 PolarHBondContact O-N 3.05Å; S77-A80 WeakPolarHBondContact OG-CB 3.36Å; S77-A80 PolarHBondContact OG-N 3.31Å; S77-N81 PolarHBondContact O-N 3.45Å; S77-T82 PolarHBondContact N-O 3.13Å; S77-T82 PolarHBondContact O-N 3.48Å |
| 78 | L | 91.1 | Very high | 95.1 | Very high | 134 Ų | 134 | 60.7 Ų | 60.7 | 70% | 0.702 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -33.6 | 178.2 | -80.6 | 74.3 | 0 | 0 | 0 | 110.8 | A80 N81 | L78-A80 VanDerWaalsContact C-N 3.3Å; L78-A80 PolarHBondContact O-N 3.03Å; L78-N81 PolarHBondContact O-N 3.31Å; L78-N81 PolarHBondContact O-OD1 3.37Å; L78-N81 VanDerWaalsContact O-OD1 3.08Å |
| 79 | S | 92.8 | Very high | 95.1 | Very high | 112 Ų | 112 | 62.5 Ų | 62.5 | 78% | 0.783 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -32.5 | 177.3 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | S77 | S77-S79 VanDerWaalsContact C-N 3.26Å; S77-S79 PolarHBondContact O-N 2.86Å; S77-S79 PolarHBondContact OG-OG 3.04Å |
| 80 | A | 93.4 | Very high | 95.1 | Very high | 41 Ų | 41 | 65.3 Ų | 65.3 | 34% | 0.339 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 4.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S77 L78 T82 | S77-A80 CarbonylContact O-C 3.57Å; S77-A80 PolarHBondContact O-N 3.05Å; S77-A80 WeakPolarHBondContact OG-CB 3.36Å; S77-A80 PolarHBondContact OG-N 3.31Å; L78-A80 VanDerWaalsContact C-N 3.3Å; L78-A80 PolarHBondContact O-N 3.03Å; A80-T82 PolarHBondContact O-N 2.96Å; A80-T82 PolarHBondContact O-OG1 2.77Å |
| 81 | N | 93.9 | Very high | 95 | Very high | 140 Ų | 140 | 64.3 Ų | 64.3 | 75% | 0.749 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.3 | 38.6 | -172 | -68.8 | -27 | 0 | 0 | 0 | 113.1 | S77 L78 | S77-N81 PolarHBondContact O-N 3.45Å; L78-N81 PolarHBondContact O-N 3.31Å; L78-N81 PolarHBondContact O-OD1 3.37Å; L78-N81 VanDerWaalsContact O-OD1 3.08Å |
| 82 | T | 94.2 | Very high | 95 | Very high | 45 Ų | 45 | 61.4 Ų | 61.4 | 28% | 0.276 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.5 | -172.3 | -62.8 | 0 | 0 | 0 | 0 | 110.1 | L46 A76 S77 A80 | L46-T82 HydrophobicContact CD1-CG2 4.43Å; A76-T82 CarbonylContact C-O 3.59Å; A76-T82 WeakPolarHBondContact CA-O 3.44Å; S77-T82 PolarHBondContact N-O 3.13Å; S77-T82 PolarHBondContact O-N 3.48Å; A80-T82 PolarHBondContact O-N 2.96Å; A80-T82 PolarHBondContact O-OG1 2.77Å |
| 83 | F | 95.7 | Very high | 94.8 | Very high | 122 Ų | 122 | 63.3 Ų | 63.3 | 54% | 0.535 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.1 | 174.5 | -63 | -96.5 | 0 | 0 | 0 | 109.1 | Q75 A76 | Q75-F83 CarbonylContact O-C 3.58Å; A76-F83 HydrophobicContact CB-CD1 3.49Å; A76-F83 VanDerWaalsContact CB-CD1 3.49Å; A76-F83 HydrophobicContact CB-CE1 3.62Å; A76-F83 HydrophobicContact CB-CG 4.32Å |
| 84 | A | 95 | Very high | 94.5 | Very high | 16 Ų | 16 | 58.9 Ų | 58.9 | 13% | 0.132 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 119.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | L43 V74 Q75 | L43-A84 HydrophobicContact CD1-CB 3.93Å; L43-A84 HydrophobicContact CD2-CB 3.69Å; L43-A84 HydrophobicContact CG-CB 4.49Å; V74-A84 WeakPolarHBondContact CA-O 3.43Å; Q75-A84 HydrophobicContact CB-CB 4.34Å; Q75-A84 PolarHBondContact N-O 3.3Å; Q75-A84 PolarHBondContact O-N 2.83Å |
| 85 | I | 96 | Very high | 94.2 | Very high | 47 Ų | 47 | 62.1 Ų | 62.1 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 123.3 | -170.7 | -51.5 | -177.2 | 0 | 0 | 0 | 107 | V57 M59 F69 P72 V74 | V57-I85 HydrophobicContact CB-CD1 4.31Å; V57-I85 HydrophobicContact CB-CG2 4.31Å; V57-I85 HydrophobicContact CG1-CD1 3.42Å; V57-I85 VanDerWaalsContact CG1-CD1 3.42Å; V57-I85 HydrophobicContact CG1-CG2 4.29Å; V57-I85 HydrophobicContact CG2-CD1 4.07Å; V57-I85 HydrophobicContact CG2-CG2 4.13Å; M59-I85 HydrophobicContact CE-CD1 3.82Å; F69-I85 HydrophobicContact CD1-CG2 4.28Å; F69-I85 HydrophobicContact CD2-CG2 4.42Å; F69-I85 HydrophobicContact CE1-CG2 4.42Å; F69-I85 HydrophobicContact CG-CG2 4.27Å; P72-I85 HydrophobicContact CB-CG2 3.93Å; P72-I85 HydrophobicContact CG-CG2 4.36Å; V74-I85 HydrophobicContact CG2-CG1 4.48Å; V74-I85 HydrophobicContact CG2-CG2 4.36Å |
| 86 | T | 93.6 | Very high | 94 | Very high | 52 Ų | 52 | 68.2 Ų | 68.2 | 32% | 0.319 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 122 | -177.4 | 52.9 | 0 | 0 | 0 | 0 | 109.1 | K73 | K73-T86 WeakPolarHBondContact CB-OG1 3.42Å; K73-T86 PolarHBondContact N-O 3.14Å; K73-T86 PolarHBondContact O-N 3.21Å; K73-T86 PolarHBondContact O-OG1 3.17Å |
| 87 | G | 93.7 | Very high | 93.8 | Very high | 52 Ų | 52 | 69.5 Ų | 69.5 | 54% | 0.536 | 41% | 0.406 | S | S | . | . | S | Bend | trans | 168.6 | 175.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 88 | H | 95.7 | Very high | 93.5 | Very high | 138 Ų | 138 | 72.7 Ų | 72.7 | 64% | 0.639 | 42% | 0.423 | S | S | * | . | trans | -72.7 | 132.8 | 171.1 | -174.2 | 64.3 | 0 | 0 | 0 | 109.7 | F69 E90 | F69-H88 VanDerWaalsContact CD1-O 3.26Å; F69-H88 WeakPolarHBondContact CD1-O 3.37Å; H88-E90 IonicContact CD2-OE1 3.54Å; H88-E90 IonicContact NE2-OE1 3.75Å | ||
| 89 | A | 96.4 | Very high | 93.4 | Very high | 48 Ų | 48 | 71.3 Ų | 71.3 | 40% | 0.397 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | I67 F69 | I67-A89 HydrophobicContact CG2-CB 3.77Å; F69-A89 HydrophobicContact CD1-CB 4.09Å; F69-A89 HydrophobicContact CE1-CB 3.48Å; F69-A89 VanDerWaalsContact CE1-CB 3.48Å; F69-A89 HydrophobicContact CE2-CB 4.3Å; F69-A89 HydrophobicContact CZ-CB 3.59Å |
| 90 | E | 96.2 | Very high | 93.3 | Very high | 78 Ų | 78 | 68.4 Ų | 68.4 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.9 | 174.2 | -66.4 | 176.9 | 177.6 | 0 | 0 | 108.9 | H68 H88 K92 | H68-E90 PolarHBondContact N-O 3.07Å; H68-E90 PolarHBondContact O-N 3.47Å; H88-E90 IonicContact CD2-OE1 3.54Å; H88-E90 IonicContact NE2-OE1 3.75Å; E90-K92 WeakPolarHBondContact OE2-CE 3.43Å; E90-K92 IonicContact OE2-NZ 3.99Å; E90-K92 PolarHBondContact OE2-NZ 3.27Å |
| 91 | A | 96.3 | Very high | 93.1 | Very high | 80 Ų | 80 | 66.5 Ų | 66.5 | 66% | 0.661 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 114.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | V66 | V66-A91 WeakPolarHBondContact O-CA 3.1Å |
| 92 | K | 94.6 | Very high | 92.9 | Very high | 53 Ų | 53 | 63.5 Ų | 63.5 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 140.7 | 178.6 | -64.6 | -178.1 | -179.5 | 170.9 | 0 | 110 | T65 V66 H68 E90 | T65-K92 CarbonylContact C-O 3.56Å; T65-K92 WeakPolarHBondContact CA-O 3.5Å; V66-K92 PolarHBondContact N-O 3.12Å; V66-K92 PolarHBondContact O-N 3.48Å; H68-K92 HydrophobicContact CB-CD 4.27Å; E90-K92 WeakPolarHBondContact OE2-CE 3.43Å; E90-K92 IonicContact OE2-NZ 3.99Å; E90-K92 PolarHBondContact OE2-NZ 3.27Å |
| 93 | P | 93.2 | Very high | 92.7 | Very high | 48 Ų | 48 | 66.5 Ų | 66.5 | 31% | 0.312 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 142.8 | 167 | 30.3 | -34.4 | 0 | 0 | 0 | 109.4 | T95 E96 | P93-T95 PolarHBondContact O-N 2.9Å; P93-T95 VanDerWaalsContact O-N 3.07Å; P93-E96 VanDerWaalsContact CD-CD 3.47Å; P93-E96 WeakPolarHBondContact CD-OE1 3.3Å; P93-E96 HydrophobicContact CG-CB 4.14Å; P93-E96 VanDerWaalsContact CG-CD 3.42Å; P93-E96 HydrophobicContact CG-CG 3.67Å; P93-E96 VanDerWaalsContact CG-OE1 3.24Å; P93-E96 WeakPolarHBondContact CG-OE1 3.48Å; P93-E96 PolarHBondContact O-N 3.34Å |
| 94 | I | 90.5 | Very high | 92.5 | Very high | 8 Ų | 8 | 64.8 Ų | 64.8 | 4% | 0.041 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -57.6 | -28 | -178.3 | -166.3 | 166.1 | 0 | 0 | 0 | 112.6 | G64 V66 E96 M97 I101 L105 L113 | G64-I94 WeakPolarHBondContact O-CB 3.44Å; G64-I94 VanDerWaalsContact O-CG2 3.26Å; G64-I94 WeakPolarHBondContact O-CG2 3.49Å; G64-I94 PolarHBondContact O-N 3.32Å; V66-I94 HydrophobicContact CG2-CB 4.26Å; V66-I94 HydrophobicContact CG2-CG1 4.28Å; I94-E96 VanDerWaalsContact C-N 3.32Å; I94-E96 PolarHBondContact O-N 3.14Å; I94-M97 PolarHBondContact O-N 2.85Å; I94-I101 HydrophobicContact CG1-CG2 4.24Å; I94-L105 HydrophobicContact CD1-CD1 3.85Å; I94-L105 HydrophobicContact CD1-CD2 4.08Å; I94-L113 HydrophobicContact CD1-CD1 4.39Å; I94-L113 HydrophobicContact CG2-CD1 3.56Å |
| 95 | T | 89.3 | Confident | 92.2 | Very high | 75 Ų | 75 | 64.8 Ų | 64.8 | 46% | 0.46 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -64.7 | -31 | 178.4 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | P93 M97 | P93-T95 PolarHBondContact O-N 2.9Å; P93-T95 VanDerWaalsContact O-N 3.07Å; T95-M97 VanDerWaalsContact C-N 3.29Å; T95-M97 PolarHBondContact O-N 2.84Å |
| 96 | E | 92 | Very high | 91.8 | Very high | 136 Ų | 136 | 64.5 Ų | 64.5 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -73.1 | -20.7 | 176.6 | -80.4 | 174.5 | -155.5 | 0 | 0 | 113 | P93 I94 | P93-E96 VanDerWaalsContact CD-CD 3.47Å; P93-E96 WeakPolarHBondContact CD-OE1 3.3Å; P93-E96 HydrophobicContact CG-CB 4.14Å; P93-E96 VanDerWaalsContact CG-CD 3.42Å; P93-E96 HydrophobicContact CG-CG 3.67Å; P93-E96 VanDerWaalsContact CG-OE1 3.24Å; P93-E96 WeakPolarHBondContact CG-OE1 3.48Å; P93-E96 PolarHBondContact O-N 3.34Å; I94-E96 VanDerWaalsContact C-N 3.32Å; I94-E96 PolarHBondContact O-N 3.14Å |
| 97 | M | 90.6 | Very high | 91.4 | Very high | 32 Ų | 32 | 65.6 Ų | 65.6 | 16% | 0.158 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -95.8 | 4.4 | -179.8 | -58.2 | -166.4 | 71.4 | 0 | 0 | 113.2 | V66 I94 T95 G100 I101 | V66-M97 HydrophobicContact CB-SD 4.09Å; V66-M97 HydrophobicContact CG1-SD 3.97Å; V66-M97 HydrophobicContact CG2-SD 4.36Å; I94-M97 PolarHBondContact O-N 2.85Å; T95-M97 VanDerWaalsContact C-N 3.29Å; T95-M97 PolarHBondContact O-N 2.84Å; M97-G100 PolarHBondContact O-N 2.75Å; M97-G100 VanDerWaalsContact O-N 3.14Å; M97-I101 HydrophobicContact CB-CB 3.79Å; M97-I101 HydrophobicContact CB-CG1 4.39Å; M97-I101 HydrophobicContact CB-CG2 3.96Å; M97-I101 HydrophobicContact CE-CD1 4.21Å; M97-I101 WeakPolarHBondContact O-CG2 3.33Å; M97-I101 PolarHBondContact O-N 3.47Å; M97-I101 HydrophobicContact SD-CD1 4.39Å |
| 98 | L | 88.8 | Confident | 90.9 | Very high | 70 Ų | 70 | 69.7 Ų | 69.7 | 37% | 0.366 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 141.7 | 175.5 | -67.3 | 173.6 | 0 | 0 | 0 | 110.9 | I101 L102 L113 | L98-I101 HydrophobicContact CD2-CG2 3.78Å; L98-I101 HydrophobicContact CG-CG2 4.39Å; L98-L102 HydrophobicContact CD2-CD1 4.25Å; L98-L102 HydrophobicContact CD2-CD2 3.62Å; L98-L102 HydrophobicContact CD2-CG 3.67Å; L98-L113 HydrophobicContact CD2-CD2 4.15Å |
| 99 | P | 89.9 | Confident | 90.2 | Very high | 104 Ų | 104 | 65 Ų | 65 | 68% | 0.675 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89.3 | -7.5 | 3.7 | 34.1 | -34.9 | 0 | 0 | 0 | 114.6 | I101 L102 | P99-I101 VanDerWaalsContact C-N 3.34Å; P99-I101 PolarHBondContact O-N 2.75Å; P99-L102 HydrophobicContact CB-CD1 4.22Å; P99-L102 VanDerWaalsContact O-CB 3.31Å; P99-L102 WeakPolarHBondContact O-CB 3.48Å; P99-L102 WeakPolarHBondContact O-CG 3.43Å; P99-L102 PolarHBondContact O-N 3.27Å; P99-L102 VanDerWaalsContact O-N 3.14Å |
| 100 | G | 89.9 | Confident | 89.5 | Confident | 51 Ų | 51 | 65.3 Ų | 65.3 | 53% | 0.526 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -58.8 | -39 | -169 | 0 | 0 | 0 | 0 | 0 | 114.7 | M97 L102 S103 | M97-G100 PolarHBondContact O-N 2.75Å; M97-G100 VanDerWaalsContact O-N 3.14Å; G100-L102 PolarHBondContact O-N 3.01Å; G100-S103 PolarHBondContact O-OG 3.02Å |
| 101 | I | 90.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -65 | -21.5 | -178.4 | -162.3 | 64.9 | 0 | 0 | 0 | 113.3 | N58 I94 M97 L98 P99 S103 Q104 L105 | N58-I101 HydrophobicContact CB-CD1 4.26Å; I94-I101 HydrophobicContact CG1-CG2 4.24Å; M97-I101 HydrophobicContact CB-CB 3.79Å; M97-I101 HydrophobicContact CB-CG1 4.39Å; M97-I101 HydrophobicContact CB-CG2 3.96Å; M97-I101 HydrophobicContact CE-CD1 4.21Å; M97-I101 WeakPolarHBondContact O-CG2 3.33Å; M97-I101 PolarHBondContact O-N 3.47Å; M97-I101 HydrophobicContact SD-CD1 4.39Å; L98-I101 HydrophobicContact CD2-CG2 3.78Å; L98-I101 HydrophobicContact CG-CG2 4.39Å; P99-I101 VanDerWaalsContact C-N 3.34Å; P99-I101 PolarHBondContact O-N 2.75Å; I101-S103 PolarHBondContact O-N 3.45Å; I101-S103 VanDerWaalsContact O-N 3.1Å; I101-Q104 HydrophobicContact CD1-CB 4.23Å; I101-Q104 WeakPolarHBondContact O-CB 3.24Å; I101-Q104 PolarHBondContact O-N 2.78Å; I101-L105 HydrophobicContact CG1-CD2 4.17Å; I101-L105 HydrophobicContact CG1-CG 4.37Å; I101-L105 HydrophobicContact CG2-CD1 4.47Å; I101-L105 WeakPolarHBondContact O-CG 3.38Å; I101-L105 PolarHBondContact O-N 3.14Å |
| 102 | L | 89.2 | Confident | 88 | Confident | 77 Ų | 77 | 64.1 Ų | 64.1 | 40% | 0.403 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -56.7 | -31.7 | -177.3 | -68.7 | 174.7 | 0 | 0 | 0 | 112.8 | L98 P99 G100 Q104 L105 L110 L113 | L98-L102 HydrophobicContact CD2-CD1 4.25Å; L98-L102 HydrophobicContact CD2-CD2 3.62Å; L98-L102 HydrophobicContact CD2-CG 3.67Å; P99-L102 HydrophobicContact CB-CD1 4.22Å; P99-L102 VanDerWaalsContact O-CB 3.31Å; P99-L102 WeakPolarHBondContact O-CB 3.48Å; P99-L102 WeakPolarHBondContact O-CG 3.43Å; P99-L102 PolarHBondContact O-N 3.27Å; P99-L102 VanDerWaalsContact O-N 3.14Å; G100-L102 PolarHBondContact O-N 3.01Å; L102-Q104 PolarHBondContact O-N 3.32Å; L102-L105 HydrophobicContact CD2-CD1 4.32Å; L102-L105 PolarHBondContact O-N 2.82Å; L102-L110 HydrophobicContact CD2-CD2 3.68Å; L102-L113 HydrophobicContact CD2-CD2 4.19Å |
| 103 | S | 91.2 | Very high | 87.3 | Confident | 107 Ų | 107 | 62.8 Ų | 62.8 | 75% | 0.748 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -69.5 | -20.1 | 177.4 | 63.3 | 0 | 0 | 0 | 0 | 114.1 | G100 I101 | G100-S103 PolarHBondContact O-OG 3.02Å; I101-S103 PolarHBondContact O-N 3.45Å; I101-S103 VanDerWaalsContact O-N 3.1Å |
| 104 | Q | 90.5 | Very high | 86.8 | Confident | 87 Ų | 87 | 68.5 Ų | 68.5 | 41% | 0.407 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -13.4 | -178.6 | -55.4 | -180 | 12.5 | 0 | 0 | 112.2 | E56 N58 I101 L102 | E56-Q104 PolarHBondContact OE1-NE2 3.35Å; N58-Q104 PolarHBondContact ND2-OE1 3.21Å; I101-Q104 HydrophobicContact CD1-CB 4.23Å; I101-Q104 WeakPolarHBondContact O-CB 3.24Å; I101-Q104 PolarHBondContact O-N 2.78Å; L102-Q104 PolarHBondContact O-N 3.32Å |
| 105 | L | 89.2 | Confident | 86.4 | Confident | 16 Ų | 16 | 74.4 Ų | 74.4 | 8% | 0.084 | 43% | 0.43 | C | S | . | . | trans | -80.7 | 132.8 | 178.6 | -61.9 | -175.2 | 0 | 0 | 0 | 111 | I60 I94 I101 L102 L110 L113 | I60-L105 HydrophobicContact CD1-CD2 3.46Å; I60-L105 VanDerWaalsContact CD1-CD2 3.46Å; I60-L105 HydrophobicContact CG1-CD2 4.02Å; I60-L105 HydrophobicContact CG2-CD2 4.28Å; I94-L105 HydrophobicContact CD1-CD1 3.85Å; I94-L105 HydrophobicContact CD1-CD2 4.08Å; I101-L105 HydrophobicContact CG1-CD2 4.17Å; I101-L105 HydrophobicContact CG1-CG 4.37Å; I101-L105 HydrophobicContact CG2-CD1 4.47Å; I101-L105 WeakPolarHBondContact O-CG 3.38Å; I101-L105 PolarHBondContact O-N 3.14Å; L102-L105 HydrophobicContact CD2-CD1 4.32Å; L102-L105 PolarHBondContact O-N 2.82Å; L105-L110 HydrophobicContact CB-CD2 4.12Å; L105-L110 HydrophobicContact CB-CG 4.17Å; L105-L110 HydrophobicContact CD1-CD2 3.88Å; L105-L113 HydrophobicContact CD1-CD2 4.2Å | ||
| 106 | G | 86.5 | Confident | 85.9 | Confident | 41 Ų | 41 | 73.4 Ų | 73.4 | 42% | 0.423 | 42% | 0.421 | S | S | . | . | trans | -74.5 | 170 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D108 S109 L110 | G106-D108 PolarHBondContact O-N 2.82Å; G106-S109 PolarHBondContact O-N 3Å; G106-L110 PolarHBondContact O-N 3.35Å | ||
| 107 | A | 84.9 | Confident | 85.2 | Confident | 75 Ų | 75 | 69.6 Ų | 69.6 | 62% | 0.62 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -55.9 | -36.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L110 T111 | A107-L110 PolarHBondContact O-N 3.38Å; A107-T111 PolarHBondContact O-N 2.97Å; A107-T111 PolarHBondContact O-OG1 2.88Å |
| 108 | D | 83.4 | Confident | 84.7 | Confident | 138 Ų | 138 | 74.3 Ų | 74.3 | 74% | 0.738 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66 | -46.7 | 179.7 | -58.7 | -32.8 | 0 | 0 | 0 | 111.6 | G106 L110 T111 S112 | G106-D108 PolarHBondContact O-N 2.82Å; D108-L110 VanDerWaalsContact C-N 3.3Å; D108-L110 PolarHBondContact O-N 3.16Å; D108-T111 WeakPolarHBondContact O-CB 3.46Å; D108-T111 PolarHBondContact O-N 3.29Å; D108-T111 VanDerWaalsContact O-N 3.11Å; D108-S112 PolarHBondContact O-N 3.45Å |
| 109 | S | 81.5 | Confident | 83.9 | Confident | 38 Ų | 38 | 78.7 Ų | 78.7 | 27% | 0.266 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.6 | -33.3 | 178.6 | -51.9 | 0 | 0 | 0 | 0 | 112.4 | G106 T111 S112 L113 | G106-S109 PolarHBondContact O-N 3Å; S109-T111 VanDerWaalsContact C-N 3.31Å; S109-T111 PolarHBondContact O-N 3.3Å; S109-S112 PolarHBondContact O-N 3.25Å; S109-L113 WeakPolarHBondContact O-CB 3.46Å; S109-L113 PolarHBondContact O-N 2.8Å |
| 110 | L | 81.7 | Confident | 82.9 | Confident | 55 Ų | 55 | 80.4 Ų | 80.4 | 29% | 0.288 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.4 | -33.7 | 174.4 | -69.7 | 174.1 | 0 | 0 | 0 | 112.3 | L102 L105 G106 A107 D108 L113 R114 | L102-L110 HydrophobicContact CD2-CD2 3.68Å; L105-L110 HydrophobicContact CB-CD2 4.12Å; L105-L110 HydrophobicContact CB-CG 4.17Å; L105-L110 HydrophobicContact CD1-CD2 3.88Å; G106-L110 PolarHBondContact O-N 3.35Å; A107-L110 PolarHBondContact O-N 3.38Å; D108-L110 VanDerWaalsContact C-N 3.3Å; D108-L110 PolarHBondContact O-N 3.16Å; L110-L113 PolarHBondContact O-N 3.2Å; L110-R114 WeakPolarHBondContact O-CB 3.36Å; L110-R114 WeakPolarHBondContact O-CG 3.46Å; L110-R114 PolarHBondContact O-N 2.97Å |
| 111 | T | 82.3 | Confident | 81.5 | Confident | 67 Ų | 67 | 82.2 Ų | 82.2 | 41% | 0.411 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.1 | -41.1 | 176.4 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | A107 D108 S109 R114 K115 | A107-T111 PolarHBondContact O-N 2.97Å; A107-T111 PolarHBondContact O-OG1 2.88Å; D108-T111 WeakPolarHBondContact O-CB 3.46Å; D108-T111 PolarHBondContact O-N 3.29Å; D108-T111 VanDerWaalsContact O-N 3.11Å; S109-T111 VanDerWaalsContact C-N 3.31Å; S109-T111 PolarHBondContact O-N 3.3Å; T111-R114 PolarHBondContact O-N 3.2Å; T111-K115 WeakPolarHBondContact O-CG 3.46Å; T111-K115 PolarHBondContact O-N 3.35Å |
| 112 | S | 79.3 | Confident | 80.1 | Confident | 66 Ų | 66 | 92 Ų | 92 | 46% | 0.462 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 172.3 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | D108 S109 R114 K115 L116 | D108-S112 PolarHBondContact O-N 3.45Å; S109-S112 PolarHBondContact O-N 3.25Å; S112-R114 PolarHBondContact O-N 3.27Å; S112-K115 PolarHBondContact O-N 2.89Å; S112-L116 WeakPolarHBondContact O-CB 3.48Å; S112-L116 PolarHBondContact O-N 3.41Å |
| 113 | L | 80 | Confident | 78.4 | Confident | 25 Ų | 25 | 96.4 Ų | 96.4 | 13% | 0.131 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 176.3 | -176.8 | 62.2 | 0 | 0 | 0 | 112.2 | I94 L98 L102 L105 S109 L110 L116 A117 | I94-L113 HydrophobicContact CD1-CD1 4.39Å; I94-L113 HydrophobicContact CG2-CD1 3.56Å; L98-L113 HydrophobicContact CD2-CD2 4.15Å; L102-L113 HydrophobicContact CD2-CD2 4.19Å; L105-L113 HydrophobicContact CD1-CD2 4.2Å; S109-L113 WeakPolarHBondContact O-CB 3.46Å; S109-L113 PolarHBondContact O-N 2.8Å; L110-L113 PolarHBondContact O-N 3.2Å; L113-L116 PolarHBondContact O-N 3.13Å; L113-A117 WeakPolarHBondContact O-CB 3.41Å; L113-A117 PolarHBondContact O-N 3.47Å |
| 114 | R | 81.8 | Confident | 76.7 | Confident | 169 Ų | 169 | 97.5 Ų | 97.5 | 64% | 0.638 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -46.1 | 175.3 | -77.9 | 179.3 | -176.9 | 168.1 | 1.8 | 111.9 | L110 T111 S112 L116 A117 E118 | L110-R114 WeakPolarHBondContact O-CB 3.36Å; L110-R114 WeakPolarHBondContact O-CG 3.46Å; L110-R114 PolarHBondContact O-N 2.97Å; T111-R114 PolarHBondContact O-N 3.2Å; S112-R114 PolarHBondContact O-N 3.27Å; R114-L116 VanDerWaalsContact C-N 3.29Å; R114-L116 PolarHBondContact O-N 3.41Å; R114-A117 PolarHBondContact O-N 2.9Å; R114-E118 WeakPolarHBondContact O-CB 3.43Å; R114-E118 VanDerWaalsContact O-CG 3.31Å; R114-E118 WeakPolarHBondContact O-CG 3.41Å; R114-E118 PolarHBondContact O-N 3.49Å |
| 115 | K | 83 | Confident | 74.8 | Confident | 132 Ų | 132 | 101 Ų | 101 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60 | -41.4 | 176.3 | -72.7 | 176.9 | 179.2 | 179 | 0 | 111.8 | T111 S112 E118 Q119 | T111-K115 WeakPolarHBondContact O-CG 3.46Å; T111-K115 PolarHBondContact O-N 3.35Å; S112-K115 PolarHBondContact O-N 2.89Å; K115-E118 PolarHBondContact O-N 2.87Å; K115-Q119 WeakPolarHBondContact O-CG 3.48Å; K115-Q119 PolarHBondContact O-N 3.02Å |
| 116 | L | 77.3 | Confident | 72.7 | Confident | 54 Ų | 54 | 107.7 Ų | 107.7 | 28% | 0.283 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.1 | -43.4 | 175.8 | -164.3 | 111.9 | 0 | 0 | 0 | 111.1 | S112 L113 R114 E118 Q119 F120 | S112-L116 WeakPolarHBondContact O-CB 3.48Å; S112-L116 PolarHBondContact O-N 3.41Å; L113-L116 PolarHBondContact O-N 3.13Å; R114-L116 VanDerWaalsContact C-N 3.29Å; R114-L116 PolarHBondContact O-N 3.41Å; L116-E118 PolarHBondContact O-N 3.46Å; L116-Q119 PolarHBondContact O-N 3.44Å; L116-F120 HydrophobicContact CD2-CE2 4.39Å; L116-F120 WeakPolarHBondContact O-CD2 3.35Å; L116-F120 PolarHBondContact O-N 3.41Å |
| 117 | A | 77.7 | Confident | 70.9 | Confident | 56 Ų | 56 | 111 Ų | 111 | 46% | 0.463 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.3 | -32.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L113 R114 Q119 F120 | L113-A117 WeakPolarHBondContact O-CB 3.41Å; L113-A117 PolarHBondContact O-N 3.47Å; R114-A117 PolarHBondContact O-N 2.9Å; A117-Q119 VanDerWaalsContact C-N 3.3Å; A117-F120 PolarHBondContact O-N 3.37Å |
| 118 | E | 80.9 | Confident | 68.8 | Low | 131 Ų | 131 | 116.8 Ų | 116.8 | 61% | 0.612 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.3 | -25.9 | 175.8 | -75.8 | 170.4 | -178.1 | 0 | 0 | 112.9 | R114 K115 L116 F120 | R114-E118 WeakPolarHBondContact O-CB 3.43Å; R114-E118 VanDerWaalsContact O-CG 3.31Å; R114-E118 WeakPolarHBondContact O-CG 3.41Å; R114-E118 PolarHBondContact O-N 3.49Å; K115-E118 PolarHBondContact O-N 2.87Å; L116-E118 PolarHBondContact O-N 3.46Å; E118-F120 VanDerWaalsContact C-N 3.33Å |
| 119 | Q | 72.2 | Confident | 66.8 | Low | 161 Ų | 161 | 114.2 Ų | 114.2 | 75% | 0.752 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -77.1 | -20.2 | 174.3 | -71.7 | 176.8 | -18.2 | 0 | 0 | 112.9 | K115 L116 A117 | K115-Q119 WeakPolarHBondContact O-CG 3.48Å; K115-Q119 PolarHBondContact O-N 3.02Å; L116-Q119 PolarHBondContact O-N 3.44Å; A117-Q119 VanDerWaalsContact C-N 3.3Å |
| 120 | F | 67.5 | Low | 64.8 | Low | 140 Ų | 140 | 118.3 Ų | 118.3 | 61% | 0.614 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -76.7 | 128.6 | 170.1 | -86.4 | -91 | 0 | 0 | 0 | 109.6 | L116 A117 E118 R122 | L116-F120 HydrophobicContact CD2-CE2 4.39Å; L116-F120 WeakPolarHBondContact O-CD2 3.35Å; L116-F120 PolarHBondContact O-N 3.41Å; A117-F120 PolarHBondContact O-N 3.37Å; E118-F120 VanDerWaalsContact C-N 3.33Å; F120-R122 PolarHBondContact O-N 3.03Å; F120-R122 VanDerWaalsContact O-N 3.15Å |
| 121 | P | 61.2 | Low | 63.2 | Low | 90 Ų | 90 | 125.3 Ų | 125.3 | 58% | 0.584 | 65% | 0.646 | S | S | * | * | trans | -57.9 | 124.4 | 177.5 | 21.2 | -29.8 | 0 | 0 | 0 | 109.4 | Q123 | P121-Q123 PolarHBondContact O-N 3.41Š| ||
| 122 | R | 60.3 | Low | 61.2 | Low | 206 Ų | 206 | 127.2 Ų | 127.2 | 78% | 0.777 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -62.3 | 12.7 | -178.5 | -74.2 | -168 | 171.5 | -170 | 0 | 115.1 | F120 V124 | F120-R122 PolarHBondContact O-N 3.03Å; F120-R122 VanDerWaalsContact O-N 3.15Å; R122-V124 PolarHBondContact O-N 2.87Å |
| 123 | Q | 53.6 | Low | 59.2 | Low | 171 Ų | 171 | 132.6 Ų | 132.6 | 80% | 0.799 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 3.5 | -169.1 | -84.9 | 176.7 | -37.3 | 0 | 0 | 115.9 | P121 | P121-Q123 PolarHBondContact O-N 3.41Š|
| 124 | V | 55.3 | Low | 57.4 | Low | 129 Ų | 129 | 138.7 Ų | 138.7 | 78% | 0.782 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115 | -2.1 | -177.3 | -114.7 | 0 | 0 | 0 | 0 | 115.3 | R122 | R122-V124 PolarHBondContact O-N 2.87Š|
| 125 | L | 51.1 | Low | 55.5 | Low | 162 Ų | 162 | 137.4 Ų | 137.4 | 85% | 0.848 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -111.9 | -3.4 | -175.9 | -67.1 | 177.8 | 0 | 0 | 0 | 115.2 | ||
| 126 | D | 45.1 | Very low | 53.5 | Low | 155 Ų | 155 | 137.6 Ų | 137.6 | 83% | 0.829 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -98.7 | -2.4 | 180 | -142.6 | 34.7 | 0 | 0 | 0 | 114.1 | ||
| 127 | S | 48.3 | Very low | 52 | Low | 111 Ų | 111 | 143.2 Ų | 143.2 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -97.4 | 13.8 | -177.3 | -51.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 128 | K | 41 | Very low | 50.6 | Low | 196 Ų | 196 | 149.9 Ų | 149.9 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | trans | -149.9 | 55.6 | -179.1 | -155.7 | 176.1 | -177.9 | 175.9 | 0 | 113.9 | ||||
| 129 | A | 42.7 | Very low | 49.2 | Very low | 85 Ų | 85 | 151.6 Ų | 151.6 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | -102 | 114.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | K131 | A129-K131 PolarHBondContact O-N 3.12Š| ||
| 130 | P | 39.2 | Very low | 48.5 | Very low | 124 Ų | 124 | 151.1 Ų | 151.1 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | trans | -76.5 | 105.8 | 169.9 | 30.4 | -26.6 | 0 | 0 | 0 | 107.4 | ||||
| 131 | K | 46.8 | Very low | 48 | Very low | 201 Ų | 201 | 152.1 Ų | 152.1 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -74.9 | 127.2 | 164.1 | -84.6 | -178.6 | 177.2 | 174.3 | 0 | 108.3 | A129 | A129-K131 PolarHBondContact O-N 3.12Š| ||
| 132 | P | 41.5 | Very low | 48.2 | Very low | 108 Ų | 108 | 154.4 Ų | 154.4 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -79.2 | 134.4 | 166.5 | 32.1 | -27.3 | 0 | 0 | 0 | 109.1 | ||||
| 133 | E | 36.9 | Very low | 48.5 | Very low | 179 Ų | 179 | 150.1 Ų | 150.1 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | 66 | 96.4 | 148.3 | -57.5 | -178.7 | 176.5 | 0 | 0 | 118.3 | ||||
| 134 | D | 42.5 | Very low | 49.1 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | 167 | 92.2 | 140.5 | -90 | -25.3 | 0 | 0 | 0 | 105.5 | ||||
| 135 | I | 40.7 | Very low | 49.7 | Very low | 143 Ų | 143 | 151.5 Ų | 151.5 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | 53.5 | 120.2 | 95 | -56.4 | 174.2 | 0 | 0 | 0 | 112.4 | |||||
| 136 | D | 42.1 | Very low | 50 | Low | 136 Ų | 136 | 149.4 Ų | 149.4 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | 92.8 | 111.3 | 165.9 | -63.5 | -21.8 | 0 | 0 | 0 | 119.5 | ||||
| 137 | E | 45.3 | Very low | 50.6 | Low | 172 Ų | 172 | 150 Ų | 150 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 65.7 | 102 | 135 | -58.8 | -179.2 | 173.2 | 0 | 0 | 118.4 | ||||
| 138 | E | 48.3 | Very low | 51.1 | Low | 195 Ų | 195 | 151 Ų | 151 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | 165.4 | 101.2 | 131 | -87.9 | 169.2 | -167.6 | 0 | 0 | 110 | D140 | E138-D140 PolarHBondContact O-N 3.25Š| ||
| 139 | D | 51.8 | Low | 52.2 | Low | 168 Ų | 168 | 150.4 Ų | 150.4 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -97.9 | 51.9 | -172.7 | -159.1 | 16.4 | 0 | 0 | 0 | 110.8 | ||||
| 140 | D | 56.3 | Low | 53.2 | Low | 150 Ų | 150 | 152.4 Ų | 152.4 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -144.1 | 23.1 | -162.7 | -111.8 | -20.4 | 0 | 0 | 0 | 117.4 | E138 | E138-D140 PolarHBondContact O-N 3.25Š| ||
| 141 | D | 59 | Low | 54.1 | Low | 162 Ų | 162 | 154 Ų | 154 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -142.3 | 34.2 | -176.9 | -99.4 | -29.8 | 0 | 0 | 0 | 115.9 | P143 | D141-P143 VanDerWaalsContact O-CD 3.28Å; D141-P143 WeakPolarHBondContact O-CD 3.42Å | ||
| 142 | V | 64.1 | Low | 54.8 | Low | 137 Ų | 137 | 148.5 Ų | 148.5 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | -96.8 | 105.4 | 164 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | D144 | V142-D144 PolarHBondContact O-N 2.96Š| ||
| 143 | P | 67.1 | Low | 55.8 | Low | 117 Ų | 117 | 148.2 Ų | 148.2 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -65.8 | 126.6 | 172.6 | 24.1 | -30.4 | 0 | 0 | 0 | 110 | D141 | D141-P143 VanDerWaalsContact O-CD 3.28Å; D141-P143 WeakPolarHBondContact O-CD 3.42Å | ||
| 144 | D | 67.1 | Low | 57.1 | Low | 141 Ų | 141 | 147.6 Ų | 147.6 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -55.9 | 137.4 | 178.7 | -88 | -32.7 | 0 | 0 | 0 | 111.5 | V142 V146 | V142-D144 PolarHBondContact O-N 2.96Å; D144-V146 HydrophobicContact CB-CG1 4.48Å; D144-V146 PolarHBondContact O-N 3.07Å | ||
| 145 | L | 66.5 | Low | 58.1 | Low | 187 Ų | 187 | 147.8 Ų | 147.8 | 98% | 0.979 | 78% | 0.784 | S | S | * | * | trans | -69.7 | 75.4 | 177.9 | -151.1 | 86.7 | 0 | 0 | 0 | 109.7 | ||||
| 146 | V | 57.6 | Low | 59.2 | Low | 118 Ų | 118 | 150 Ų | 150 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | trans | -83.1 | 126.2 | 175.3 | -71.5 | 0 | 0 | 0 | 0 | 110 | D144 | D144-V146 HydrophobicContact CB-CG1 4.48Å; D144-V146 PolarHBondContact O-N 3.07Å | ||
| 147 | E | 58.5 | Low | 60 | Low | 168 Ų | 168 | 147.8 Ų | 147.8 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 97.8 | 101.2 | 168 | -54.6 | -172 | 177.3 | 0 | 0 | 116.8 | F149 | E147-F149 VanDerWaalsContact O-CD2 3.31Å; E147-F149 WeakPolarHBondContact O-CD2 3.49Å; E147-F149 PolarHBondContact O-N 3.4Å | ||
| 148 | N | 58.6 | Low | 60.2 | Low | 132 Ų | 132 | 151 Ų | 151 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | trans | -68.7 | 101.1 | 173 | -156 | 10.7 | 0 | 0 | 0 | 108.7 | D150 E151 | N148-D150 PolarHBondContact O-N 3.16Å; N148-E151 PolarHBondContact O-N 3.13Å | ||
| 149 | F | 63.7 | Low | 60.8 | Low | 184 Ų | 184 | 148.8 Ų | 148.8 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -2.2 | -176.3 | -82.6 | -94.2 | 0 | 0 | 0 | 115.4 | E147 | E147-F149 VanDerWaalsContact O-CD2 3.31Å; E147-F149 WeakPolarHBondContact O-CD2 3.49Å; E147-F149 PolarHBondContact O-N 3.4Å |
| 150 | D | 63 | Low | 61.3 | Low | 127 Ų | 127 | 147.7 Ų | 147.7 | 68% | 0.679 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -11.2 | 177.1 | -79.6 | -24 | 0 | 0 | 0 | 114.4 | N148 | N148-D150 PolarHBondContact O-N 3.16Š|
| 151 | E | 59.5 | Low | 61.5 | Low | 157 Ų | 157 | 147.6 Ų | 147.6 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -87.5 | -23.8 | -178.7 | -132.1 | 175.3 | -164.4 | 0 | 0 | 114.2 | N148 S153 | N148-E151 PolarHBondContact O-N 3.13Å; E151-S153 PolarHBondContact O-N 2.98Å |
| 152 | A | 61.2 | Low | 61.7 | Low | 86 Ų | 86 | 146.8 Ų | 146.8 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -67.8 | -18 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 153 | S | 62.6 | Low | 61.5 | Low | 102 Ų | 102 | 147.4 Ų | 147.4 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -91.4 | 3.6 | -175.6 | -59.4 | 0 | 0 | 0 | 0 | 114.7 | E151 | E151-S153 PolarHBondContact O-N 2.98Š|
| 154 | K | 63.4 | Low | 61.2 | Low | 165 Ų | 165 | 149.4 Ų | 149.4 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -97.6 | -5.8 | -178.7 | -78.3 | 178.9 | -177.9 | 167.7 | 0 | 115.5 | ||
| 155 | N | 64.1 | Low | 60.7 | Low | 156 Ų | 156 | 150 Ų | 150 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -103 | 7.4 | -175.1 | -85.2 | -8.4 | 0 | 0 | 0 | 115.8 | ||
| 156 | E | 64.4 | Low | 60.3 | Low | 190 Ų | 190 | 147.2 Ų | 147.2 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -102.8 | 14.2 | 177.6 | -72.3 | -165.3 | 154.5 | 0 | 0 | 114.9 | ||
| 157 | A | 57.2 | Low | 60.5 | Low | 89 Ų | 89 | 149.6 Ų | 149.6 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | -110.6 | 85.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 158 | N | 50.3 | Low | 60.7 | Low | 239 Ų | 239 | 147.9 Ų | 147.9 | 100% | 1.278 | 80% | 0.8 | S | S | * | * | trans | -153.9 | 0 | 153.2 | -121.4 | 6.3 | 0 | 0 | 0 | 110.9 |
Retrieved 158 of 158 residues in 525.8 ms
(Link to these results)