| 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 | 39.9 | Very low | 50.1 | Low | 247 Ų | 247 | 132.2 Ų | 132.2 | 100% | 1.217 | 80% | 0.799 | S | S | * | * | 0 | 118.3 | 0 | -64.3 | 166 | -179.1 | 0 | 0 | 107.8 | |||||
| 2 | R | 39.3 | Very low | 50.7 | Low | 257 Ų | 257 | 138.3 Ų | 138.3 | 97% | 0.97 | 80% | 0.797 | S | S | * | * | trans | -108.3 | 110.6 | 173 | -92.1 | -179.2 | 168.1 | 160.8 | -4.1 | 107.7 | ||||
| 3 | G | 40.6 | Very low | 51.3 | Low | 81 Ų | 81 | 137.2 Ų | 137.2 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 127.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 4 | Q | 50.2 | Low | 52 | Low | 200 Ų | 200 | 135.3 Ų | 135.3 | 94% | 0.935 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 123.7 | 166.6 | -70.6 | 172.3 | -28.3 | 0 | 0 | 108.4 | ||
| 5 | A | 50 | Low | 53.1 | Low | 103 Ų | 103 | 130.5 Ų | 130.5 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 125.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 6 | A | 52.8 | Low | 54.3 | Low | 99 Ų | 99 | 127.1 Ų | 127.1 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 142.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 7 | A | 56.1 | Low | 55.3 | Low | 91 Ų | 91 | 125.3 Ų | 125.3 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 140.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G9 | A7-G9 PolarHBondContact O-N 3.46Š|
| 8 | P | 51.2 | Low | 56.2 | Low | 108 Ų | 108 | 124.5 Ų | 124.5 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 131.7 | 178.2 | 27.7 | -33.6 | 0 | 0 | 0 | 111 | ||
| 9 | G | 59.6 | Low | 57.1 | Low | 39 Ų | 39 | 123.6 Ų | 123.6 | 40% | 0.402 | 71% | 0.708 | S | S | . | * | P | Polyproline II helix | trans | -69 | 166.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A7 I11 W12 | A7-G9 PolarHBondContact O-N 3.46Å; G9-I11 PolarHBondContact O-N 3.46Å; G9-W12 PolarHBondContact O-N 3.4Å |
| 10 | P | 55.8 | Low | 57.9 | Low | 95 Ų | 95 | 122.4 Ų | 122.4 | 62% | 0.617 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -14.1 | -168.7 | 24.8 | -35.6 | 0 | 0 | 0 | 115.3 | W12 I13 L14 | P10-W12 PolarHBondContact O-N 3.45Å; P10-I13 PolarHBondContact O-N 2.93Å; P10-L14 PolarHBondContact O-N 3.46Å |
| 11 | I | 56 | Low | 58.7 | Low | 134 Ų | 134 | 121.5 Ų | 121.5 | 69% | 0.687 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -58 | -35.3 | 178.2 | -58.8 | 171.9 | 0 | 0 | 0 | 111.6 | G9 I13 L14 A15 | G9-I11 PolarHBondContact O-N 3.46Å; I11-I13 VanDerWaalsContact C-N 3.26Å; I11-I13 PolarHBondContact O-N 3.38Å; I11-L14 PolarHBondContact O-N 3.3Å; I11-A15 PolarHBondContact O-N 3.3Å |
| 12 | W | 56.6 | Low | 60.2 | Low | 206 Ų | 206 | 114.6 Ų | 114.6 | 78% | 0.78 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.2 | -20.7 | -179.4 | -77.9 | 84.1 | 0 | 0 | 0 | 114.3 | G9 P10 P16 | G9-W12 PolarHBondContact O-N 3.4Å; P10-W12 PolarHBondContact O-N 3.45Å; W12-P16 VanDerWaalsContact O-CD 3.25Å; W12-P16 WeakPolarHBondContact O-CD 3.43Å |
| 13 | I | 59.1 | Low | 61.6 | Low | 124 Ų | 124 | 106.5 Ų | 106.5 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -95.2 | -34.6 | 179.7 | -56.5 | 175.1 | 0 | 0 | 0 | 110.6 | P10 I11 P16 L17 | P10-I13 PolarHBondContact O-N 2.93Å; I11-I13 VanDerWaalsContact C-N 3.26Å; I11-I13 PolarHBondContact O-N 3.38Å; I13-P16 WeakPolarHBondContact O-CD 3.36Å; I13-P16 WeakPolarHBondContact O-CG 3.32Å; I13-L17 PolarHBondContact O-N 3.28Å |
| 14 | L | 61.5 | Low | 62.9 | Low | 110 Ų | 110 | 107.5 Ų | 107.5 | 58% | 0.576 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.3 | -35.3 | -178.5 | -67.3 | 171 | 0 | 0 | 0 | 113 | P10 I11 L17 L18 | P10-L14 PolarHBondContact O-N 3.46Å; I11-L14 PolarHBondContact O-N 3.3Å; L14-L17 PolarHBondContact O-N 2.92Å; L14-L18 WeakPolarHBondContact O-CB 3.25Å; L14-L18 PolarHBondContact O-N 2.93Å |
| 15 | A | 68.4 | Low | 63.3 | Low | 63 Ų | 63 | 99.1 Ų | 99.1 | 52% | 0.521 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.3 | -52.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I11 L17 L18 L19 | I11-A15 PolarHBondContact O-N 3.3Å; A15-L17 VanDerWaalsContact C-N 3.32Å; A15-L17 PolarHBondContact O-N 3.25Å; A15-L18 PolarHBondContact O-N 3.37Å; A15-L19 PolarHBondContact O-N 3.13Å |
| 16 | P | 71.3 | Confident | 63.7 | Low | 76 Ų | 76 | 103.1 Ų | 103.1 | 49% | 0.494 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.4 | -31.5 | 176.4 | 25.8 | -34.4 | 0 | 0 | 0 | 112.8 | W12 I13 L19 L20 | W12-P16 VanDerWaalsContact O-CD 3.25Å; W12-P16 WeakPolarHBondContact O-CD 3.43Å; I13-P16 WeakPolarHBondContact O-CD 3.36Å; I13-P16 WeakPolarHBondContact O-CG 3.32Å; P16-L19 PolarHBondContact O-N 3.18Å; P16-L20 WeakPolarHBondContact O-CB 3.48Å; P16-L20 PolarHBondContact O-N 3.29Å |
| 17 | L | 71.1 | Confident | 63.7 | Low | 97 Ų | 97 | 108.2 Ų | 108.2 | 51% | 0.508 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.8 | -41.6 | 176.5 | -154.7 | 98.2 | 0 | 0 | 0 | 111.7 | I13 L14 A15 L20 L21 | I13-L17 PolarHBondContact O-N 3.28Å; L14-L17 PolarHBondContact O-N 2.92Å; A15-L17 VanDerWaalsContact C-N 3.32Å; A15-L17 PolarHBondContact O-N 3.25Å; L17-L20 PolarHBondContact O-N 3.48Å; L17-L21 HydrophobicContact CD2-CD1 4.4Å; L17-L21 WeakPolarHBondContact O-CB 3.47Å; L17-L21 WeakPolarHBondContact O-CG 3.34Å; L17-L21 PolarHBondContact O-N 3.27Å |
| 18 | L | 71.9 | Confident | 63.3 | Low | 111 Ų | 111 | 106.6 Ų | 106.6 | 58% | 0.581 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.9 | -40 | 174.6 | -166.5 | 76.4 | 0 | 0 | 0 | 111.4 | L14 A15 L21 L22 | L14-L18 WeakPolarHBondContact O-CB 3.25Å; L14-L18 PolarHBondContact O-N 2.93Å; A15-L18 PolarHBondContact O-N 3.37Å; L18-L21 PolarHBondContact O-N 3.09Å; L18-L22 HydrophobicContact CG-CD1 4.46Å; L18-L22 WeakPolarHBondContact O-CB 3.48Å; L18-L22 VanDerWaalsContact O-CG 3.3Å; L18-L22 WeakPolarHBondContact O-CG 3.4Å; L18-L22 PolarHBondContact O-N 2.93Å |
| 19 | L | 73.1 | Confident | 63 | Low | 108 Ų | 108 | 110.5 Ų | 110.5 | 57% | 0.565 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.8 | -42 | 175.5 | -163.2 | 76.1 | 0 | 0 | 0 | 111.6 | A15 P16 L22 L23 | A15-L19 PolarHBondContact O-N 3.13Å; P16-L19 PolarHBondContact O-N 3.18Å; L19-L22 PolarHBondContact O-N 3.04Å; L19-L23 HydrophobicContact CG-CD1 4.42Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.34Å; L19-L23 PolarHBondContact O-N 3.49Å |
| 20 | L | 74.4 | Confident | 62.4 | Low | 99 Ų | 99 | 112.8 Ų | 112.8 | 52% | 0.518 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64 | -42.3 | 175.5 | -171.7 | 68.5 | 0 | 0 | 0 | 111.7 | P16 L17 L22 L23 L24 | P16-L20 WeakPolarHBondContact O-CB 3.48Å; P16-L20 PolarHBondContact O-N 3.29Å; L17-L20 PolarHBondContact O-N 3.48Å; L20-L22 VanDerWaalsContact C-N 3.34Å; L20-L22 PolarHBondContact O-N 3.3Å; L20-L23 PolarHBondContact O-N 3.37Å; L20-L24 HydrophobicContact CG-CD1 4.04Å; L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 WeakPolarHBondContact O-CG 3.4Å; L20-L24 PolarHBondContact O-N 3.42Å |
| 21 | L | 73.7 | Confident | 62.1 | Low | 103 Ų | 103 | 112.7 Ų | 112.7 | 54% | 0.539 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64 | -36.6 | 174.4 | -74.6 | 166.3 | 0 | 0 | 0 | 112.5 | L17 L18 G25 | L17-L21 HydrophobicContact CD2-CD1 4.4Å; L17-L21 WeakPolarHBondContact O-CB 3.47Å; L17-L21 WeakPolarHBondContact O-CG 3.34Å; L17-L21 PolarHBondContact O-N 3.27Å; L18-L21 PolarHBondContact O-N 3.09Å; L21-G25 PolarHBondContact O-N 2.9Å |
| 22 | L | 72.5 | Confident | 61.8 | Low | 102 Ų | 102 | 111.1 Ų | 111.1 | 53% | 0.534 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.9 | -36.5 | 173.6 | -73.9 | 168.1 | 0 | 0 | 0 | 112.5 | L18 L19 L20 R26 | L18-L22 HydrophobicContact CG-CD1 4.46Å; L18-L22 WeakPolarHBondContact O-CB 3.48Å; L18-L22 VanDerWaalsContact O-CG 3.3Å; L18-L22 WeakPolarHBondContact O-CG 3.4Å; L18-L22 PolarHBondContact O-N 2.93Å; L19-L22 PolarHBondContact O-N 3.04Å; L20-L22 VanDerWaalsContact C-N 3.34Å; L20-L22 PolarHBondContact O-N 3.3Å; L22-R26 WeakPolarHBondContact O-CG 3.3Å; L22-R26 PolarHBondContact O-N 2.91Å |
| 23 | L | 68.5 | Low | 60.8 | Low | 88 Ų | 88 | 103.2 Ų | 103.2 | 46% | 0.461 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.1 | -44.8 | 175.2 | -72.4 | 166.1 | 0 | 0 | 0 | 111.6 | L19 L20 G25 R26 W27 | L19-L23 HydrophobicContact CG-CD1 4.42Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.34Å; L19-L23 PolarHBondContact O-N 3.49Å; L20-L23 PolarHBondContact O-N 3.37Å; L23-G25 VanDerWaalsContact C-N 3.34Å; L23-G25 PolarHBondContact O-N 3.06Å; L23-R26 WeakPolarHBondContact O-CB 3.35Å; L23-R26 PolarHBondContact O-N 3.37Å; L23-R26 VanDerWaalsContact O-N 3.13Å; L23-W27 PolarHBondContact O-N 3.13Å |
| 24 | L | 66.5 | Low | 60.2 | Low | 102 Ų | 102 | 102.1 Ų | 102.1 | 53% | 0.534 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.5 | -39.4 | 172.7 | -72.2 | 165.9 | 0 | 0 | 0 | 111.6 | L20 R26 W27 A28 | L20-L24 HydrophobicContact CG-CD1 4.04Å; L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 WeakPolarHBondContact O-CG 3.4Å; L20-L24 PolarHBondContact O-N 3.42Å; L24-R26 VanDerWaalsContact C-N 3.26Å; L24-R26 PolarHBondContact O-N 2.82Å; L24-W27 PolarHBondContact O-N 2.83Å; L24-A28 WeakPolarHBondContact O-CB 3.4Å; L24-A28 PolarHBondContact O-N 2.96Å |
| 25 | G | 59.3 | Low | 58.8 | Low | 23 Ų | 23 | 104.3 Ų | 104.3 | 24% | 0.237 | 59% | 0.593 | C | S | . | * | H | α-helix | trans | -70.7 | -15.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L21 L23 R29 | L21-G25 PolarHBondContact O-N 2.9Å; L23-G25 VanDerWaalsContact C-N 3.34Å; L23-G25 PolarHBondContact O-N 3.06Å; G25-R29 WeakPolarHBondContact O-CG 3.5Å; G25-R29 PolarHBondContact O-NH1 3.34Å; G25-R29 VanDerWaalsContact O-NH1 3.14Å |
| 26 | R | 58.7 | Low | 57.8 | Low | 188 Ų | 188 | 109.3 Ų | 109.3 | 71% | 0.709 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -85.7 | -39.6 | 167 | -77.1 | 176 | 177.6 | -152.4 | -0.7 | 111.5 | L22 L23 L24 R29 A30 | L22-R26 WeakPolarHBondContact O-CG 3.3Å; L22-R26 PolarHBondContact O-N 2.91Å; L23-R26 WeakPolarHBondContact O-CB 3.35Å; L23-R26 PolarHBondContact O-N 3.37Å; L23-R26 VanDerWaalsContact O-N 3.13Å; L24-R26 VanDerWaalsContact C-N 3.26Å; L24-R26 PolarHBondContact O-N 2.82Å; R26-R29 PolarHBondContact O-N 3.47Å; R26-A30 PolarHBondContact O-N 3.21Å; R26-A30 VanDerWaalsContact O-N 3.09Å |
| 27 | W | 52.1 | Low | 56.1 | Low | 206 Ų | 206 | 107.6 Ų | 107.6 | 78% | 0.78 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.8 | -39.6 | 174.5 | -86.2 | 54.4 | 0 | 0 | 0 | 112.8 | L23 L24 R29 A30 A31 | L23-W27 PolarHBondContact O-N 3.13Å; L24-W27 PolarHBondContact O-N 2.83Å; W27-R29 VanDerWaalsContact C-N 3.34Å; W27-R29 PolarHBondContact O-N 2.86Å; W27-A30 WeakPolarHBondContact O-CB 3Å; W27-A30 PolarHBondContact O-N 2.95Å; W27-A30 VanDerWaalsContact O-N 3.13Å; W27-A31 PolarHBondContact O-N 3.41Å |
| 28 | A | 47 | Very low | 54.9 | Low | 56 Ų | 56 | 109.6 Ų | 109.6 | 46% | 0.463 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -61.6 | -41.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L24 A30 A31 S32 | L24-A28 WeakPolarHBondContact O-CB 3.4Å; L24-A28 PolarHBondContact O-N 2.96Å; A28-A30 VanDerWaalsContact C-N 3.27Å; A28-A30 PolarHBondContact O-N 2.97Å; A28-A31 PolarHBondContact O-N 3.16Å; A28-S32 PolarHBondContact O-N 3.26Å; A28-S32 PolarHBondContact O-OG 2.7Å |
| 29 | R | 46.2 | Very low | 53.6 | Low | 190 Ų | 190 | 106.9 Ų | 106.9 | 72% | 0.717 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.2 | -28.3 | 173.7 | -79 | -176.4 | 176 | 93.3 | -6.3 | 113.5 | G25 R26 W27 A31 | G25-R29 WeakPolarHBondContact O-CG 3.5Å; G25-R29 PolarHBondContact O-NH1 3.34Å; G25-R29 VanDerWaalsContact O-NH1 3.14Å; R26-R29 PolarHBondContact O-N 3.47Å; W27-R29 VanDerWaalsContact C-N 3.34Å; W27-R29 PolarHBondContact O-N 2.86Å; R29-A31 VanDerWaalsContact C-N 3.32Å |
| 30 | A | 46.2 | Very low | 52.8 | Low | 87 Ų | 87 | 104.7 Ų | 104.7 | 72% | 0.719 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -77.1 | -14.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R26 W27 A28 | R26-A30 PolarHBondContact O-N 3.21Å; R26-A30 VanDerWaalsContact O-N 3.09Å; W27-A30 WeakPolarHBondContact O-CB 3Å; W27-A30 PolarHBondContact O-N 2.95Å; W27-A30 VanDerWaalsContact O-N 3.13Å; A28-A30 VanDerWaalsContact C-N 3.27Å; A28-A30 PolarHBondContact O-N 2.97Å |
| 31 | A | 49.1 | Very low | 52.3 | Low | 93 Ų | 93 | 105.7 Ų | 105.7 | 77% | 0.769 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -102 | -20.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | W27 A28 R29 | W27-A31 PolarHBondContact O-N 3.41Å; A28-A31 PolarHBondContact O-N 3.16Å; R29-A31 VanDerWaalsContact C-N 3.32Å |
| 32 | S | 50.3 | Low | 52.2 | Low | 101 Ų | 101 | 107.3 Ų | 107.3 | 71% | 0.706 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -119 | 54.4 | 175.7 | 67.6 | 0 | 0 | 0 | 0 | 111.4 | A28 | A28-S32 PolarHBondContact O-N 3.26Å; A28-S32 PolarHBondContact O-OG 2.7Å |
| 33 | G | 36.7 | Very low | 52.5 | Low | 41 Ų | 41 | 104.1 Ų | 104.1 | 42% | 0.423 | 61% | 0.606 | S | S | . | * | trans | -140.7 | 86 | 177 | 0 | 0 | 0 | 0 | 0 | 109.7 | D35 | G33-D35 PolarHBondContact O-N 2.9Š| ||
| 34 | A | 44.7 | Very low | 53.2 | Low | 101 Ų | 101 | 105.3 Ų | 105.3 | 84% | 0.835 | 62% | 0.618 | S | S | * | * | trans | -70.2 | 80.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 106 | I36 | A34-I36 VanDerWaalsContact C-N 3.28Å; A34-I36 PolarHBondContact O-N 3.08Å | ||
| 35 | D | 34 | Very low | 54.1 | Low | 156 Ų | 156 | 103.1 Ų | 103.1 | 83% | 0.834 | 61% | 0.609 | S | S | * | * | trans | -65.7 | 91.1 | 179 | -95.8 | -28.8 | 0 | 0 | 0 | 108.8 | G33 G37 | G33-D35 PolarHBondContact O-N 2.9Å; D35-G37 PolarHBondContact O-N 2.83Å | ||
| 36 | I | 45.5 | Very low | 55.2 | Low | 167 Ų | 167 | 107.2 Ų | 107.2 | 86% | 0.856 | 62% | 0.624 | S | S | * | * | trans | -71.5 | 65.4 | 154.9 | -51.3 | 176.9 | 0 | 0 | 0 | 106.8 | A34 | A34-I36 VanDerWaalsContact C-N 3.28Å; A34-I36 PolarHBondContact O-N 3.08Å | ||
| 37 | G | 37.5 | Very low | 56.4 | Low | 41 Ų | 41 | 99 Ų | 99 | 42% | 0.423 | 60% | 0.595 | S | S | . | * | trans | -65.6 | 157.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | D35 G39 | D35-G37 PolarHBondContact O-N 2.83Å; G37-G39 PolarHBondContact O-N 3.01Å | ||
| 38 | P | 45.2 | Very low | 58 | Low | 139 Ų | 139 | 94.2 Ų | 94.2 | 90% | 0.903 | 58% | 0.581 | S | S | * | * | trans | -73.5 | 61.5 | 173.9 | 32.5 | -35.5 | 0 | 0 | 0 | 110.3 | T40 | P38-T40 PolarHBondContact O-N 2.77Š| ||
| 39 | G | 44.7 | Very low | 59.2 | Low | 53 Ų | 53 | 94.1 Ų | 94.1 | 55% | 0.546 | 59% | 0.586 | S | S | . | * | trans | -61.5 | 126.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | G37 E41 | G37-G39 PolarHBondContact O-N 3.01Å; G39-E41 VanDerWaalsContact C-N 3.29Å; G39-E41 WeakPolarHBondContact O-CG 3.26Å; G39-E41 PolarHBondContact O-N 2.72Å | ||
| 40 | T | 57 | Low | 60.6 | Low | 62 Ų | 62 | 91.4 Ų | 91.4 | 38% | 0.38 | 58% | 0.579 | S | S | . | * | trans | -56.6 | 87.7 | 173.9 | 43.5 | 0 | 0 | 0 | 0 | 111.2 | P38 Q42 S66 R67 | P38-T40 PolarHBondContact O-N 2.77Å; T40-Q42 PolarHBondContact O-N 2.84Å; T40-S66 WeakPolarHBondContact CB-OG 3.45Å; T40-R67 PolarHBondContact O-NH2 2.94Å; T40-R67 VanDerWaalsContact O-NH2 3.11Å; T40-R67 PolarHBondContact OG1-NH1 2.8Å; T40-R67 PolarHBondContact OG1-NH2 3.07Å | ||
| 41 | E | 63.3 | Low | 62 | Low | 120 Ų | 120 | 92 Ų | 92 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | trans | -60.8 | 123.6 | -176.1 | -65.2 | -153.2 | 150.3 | 0 | 0 | 109.6 | G39 A65 S66 R67 | G39-E41 VanDerWaalsContact C-N 3.29Å; G39-E41 WeakPolarHBondContact O-CG 3.26Å; G39-E41 PolarHBondContact O-N 2.72Å; E41-A65 HydrophobicContact CB-CB 4.11Å; E41-S66 PolarHBondContact O-N 3.19Å; E41-R67 PolarHBondContact O-N 2.04Å | ||
| 42 | Q | 70.4 | Confident | 63.8 | Low | 137 Ų | 137 | 92 Ų | 92 | 64% | 0.64 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 130.8 | 173.6 | -60 | -175.2 | 6.9 | 0 | 0 | 107.2 | T40 R67 | T40-Q42 PolarHBondContact O-N 2.84Å; Q42-R67 WeakPolarHBondContact CA-O 3.04Å; Q42-R67 HydrophobicContact CG-CB 4.09Å; Q42-R67 VanDerWaalsContact NE2-NH2 3.11Å |
| 43 | C | 79.2 | Confident | 65.1 | Low | 35 Ų | 35 | 87.8 Ų | 87.8 | 24% | 0.236 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 141.5 | 173.1 | 90.6 | 0 | 0 | 0 | 0 | 110.8 | V60 R67 C68 S69 | C43-V60 PolarHBondContact SG-O 3.05Å; C43-R67 PolarHBondContact N-O 3.3Å; C43-C68 HydrophobicContact CB-CB 4.3Å; C43-C68 WeakPolarHBondContact CB-SG 3.06Å; C43-C68 CarbonylContact O-C 3.58Å; C43-C68 VanDerWaalsContact O-CA 3.29Å; C43-C68 WeakPolarHBondContact O-CA 3.42Å; C43-C68 WeakPolarHBondContact SG-CB 3.42Å; C43-C68 CovalentContact SG-SG 2.03Å; C43-C68 PolarHBondContact SG-SG 3.32Å; C43-S69 PolarHBondContact O-N 3.14Å |
| 44 | T | 83.9 | Confident | 67.4 | Low | 114 Ų | 114 | 92.3 Ų | 92.3 | 70% | 0.699 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 114.4 | -174.7 | 59.5 | 0 | 0 | 0 | 0 | 109.8 | S69 | T44-S69 CarbonylContact C-O 3.59Å; T44-S69 WeakPolarHBondContact CA-O 3.35Å |
| 45 | T | 84.2 | Confident | 69.2 | Low | 56 Ų | 56 | 88.3 Ų | 88.3 | 34% | 0.344 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124 | 175.6 | -59.9 | 0 | 0 | 0 | 0 | 109.8 | V47 S69 W70 T71 | T45-V47 HydrophobicContact CG2-CG2 4.43Å; T45-S69 PolarHBondContact N-O 3.11Å; T45-W70 CarbonylContact O-C 3.59Å; T45-W70 WeakPolarHBondContact O-CA 3.38Å; T45-T71 PolarHBondContact O-N 2.74Å |
| 46 | L | 84.2 | Confident | 71.5 | Confident | 108 Ų | 108 | 82.5 Ų | 82.5 | 57% | 0.565 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.2 | 172.6 | 177.9 | 63.2 | 0 | 0 | 0 | 110.2 | T71 R73 | L46-T71 HydrophobicContact CD1-CG2 4.25Å; L46-R73 HydrophobicContact CD1-CB 4.38Å |
| 47 | V | 83.8 | Confident | 73.1 | Confident | 17 Ų | 17 | 74.6 Ų | 74.6 | 10% | 0.103 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 117.8 | 172.6 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | T45 K50 W70 T71 L72 R73 Y173 | T45-V47 HydrophobicContact CG2-CG2 4.43Å; V47-K50 HydrophobicContact CG1-CB 4.3Å; V47-K50 HydrophobicContact CG1-CD 4.47Å; V47-W70 HydrophobicContact CB-CZ2 4.48Å; V47-W70 HydrophobicContact CG2-CZ2 3.86Å; V47-T71 PolarHBondContact N-O 3.41Å; V47-L72 HydrophobicContact CB-CD1 3.88Å; V47-L72 HydrophobicContact CG1-CD1 3.58Å; V47-R73 PolarHBondContact O-N 3.47Å; V47-Y173 HydrophobicContact CG1-CE2 4.1Å; V47-Y173 VanDerWaalsContact CG1-OH 3.27Å; V47-Y173 WeakPolarHBondContact CG1-OH 3.37Å |
| 48 | Q | 84.9 | Confident | 74.9 | Confident | 104 Ų | 104 | 75.4 Ų | 75.4 | 49% | 0.486 | 42% | 0.424 | S | S | . | . | trans | -138.5 | 149.6 | 176.4 | 179.7 | 173.2 | -29.2 | 0 | 0 | 109.8 | K50 R73 | Q48-K50 PolarHBondContact O-N 3.36Å; Q48-R73 HydrophobicContact CB-CB 4.34Å; Q48-R73 HydrophobicContact CG-CB 4.49Å | ||
| 49 | G | 72.8 | Confident | 76.6 | Confident | 54 Ų | 54 | 72.5 Ų | 72.5 | 56% | 0.557 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 74 | 0.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 50 | K | 75.6 | Confident | 78.2 | Confident | 133 Ų | 133 | 70.7 Ų | 70.7 | 58% | 0.578 | 39% | 0.39 | S | S | * | . | trans | -99.2 | 127.6 | 174.9 | -65.5 | -172.1 | 177.9 | -177.5 | 0 | 110.5 | V47 Q48 Y173 V175 | V47-K50 HydrophobicContact CG1-CB 4.3Å; V47-K50 HydrophobicContact CG1-CD 4.47Å; Q48-K50 PolarHBondContact O-N 3.36Å; K50-Y173 HydrophobicContact CB-CE2 4.49Å; K50-V175 WeakPolarHBondContact O-CG2 3.4Å | ||
| 51 | F | 76.2 | Confident | 79.2 | Confident | 100 Ų | 100 | 68 Ų | 68 | 44% | 0.439 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -87.4 | -13.8 | 178.4 | -71.3 | -89.6 | 0 | 0 | 0 | 113.9 | P75 Y80 L174 V175 | F51-P75 HydrophobicContact CZ-CG 4.48Å; F51-Y80 HydrophobicContact CD1-CE1 4.45Å; F51-Y80 HydrophobicContact CE1-CD1 4.01Å; F51-Y80 AromaticContact CE1-CE1 3.62Å; F51-Y80 HydrophobicContact CE1-CE1 3.62Å; F51-Y80 HydrophobicContact CE1-CE2 4.38Å; F51-Y80 AromaticContact CE1-CZ 3.83Å; F51-Y80 HydrophobicContact CZ-CE1 4.47Å; F51-L174 CarbonylContact O-C 3.55Å; F51-V175 HydrophobicContact CB-CB 4.34Å; F51-V175 HydrophobicContact CD1-CB 3.82Å; F51-V175 HydrophobicContact CD1-CG1 3.87Å; F51-V175 HydrophobicContact CE1-CG1 4.16Å; F51-V175 HydrophobicContact CG-CB 4.44Å; F51-V175 PolarHBondContact O-N 2.89Å |
| 52 | F | 85 | Confident | 79.8 | Confident | 94 Ų | 94 | 64.5 Ų | 64.5 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 151.4 | 174 | 167 | -105.2 | 0 | 0 | 0 | 109.1 | Y173 L174 M188 | F52-Y173 WeakPolarHBondContact CA-O 3.35Å; F52-Y173 VanDerWaalsContact CD2-O 3.23Å; F52-Y173 WeakPolarHBondContact CD2-O 3.43Å; F52-L174 HydrophobicContact CB-CD1 4.18Å; F52-L174 HydrophobicContact CD2-CD1 4.28Å; F52-M188 HydrophobicContact CD2-CE 3.74Å; F52-M188 HydrophobicContact CD2-SD 4.08Å; F52-M188 HydrophobicContact CE2-CE 3.34Å; F52-M188 HydrophobicContact CE2-SD 4.26Å; F52-M188 HydrophobicContact CG-SD 4.48Å; F52-M188 HydrophobicContact CZ-CE 3.82Å |
| 53 | G | 78.3 | Confident | 79.7 | Confident | 11 Ų | 11 | 62.2 Ų | 62.2 | 11% | 0.113 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.6 | -179.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E172 Y173 | G53-E172 WeakPolarHBondContact O-CA 2.97Å; G53-Y173 VanDerWaalsContact C-CE1 3.43Å; G53-Y173 VanDerWaalsContact CA-CZ 3.46Å; G53-Y173 PolarHBondContact N-O 3.44Å; G53-Y173 WeakPolarHBondContact O-CD1 3.23Å; G53-Y173 PolarHBondContact O-N 3.27Å |
| 54 | Y | 85.9 | Confident | 79.2 | Confident | 137 Ų | 137 | 66 Ų | 66 | 54% | 0.537 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 147.9 | -175.7 | 169.5 | -99.4 | 0 | 0 | 0 | 110.2 | S170 V171 E172 | Y54-S170 WeakPolarHBondContact OH-CB 3.48Å; Y54-V171 CarbonylContact C-O 3.55Å; Y54-V171 VanDerWaalsContact CA-O 3.27Å; Y54-V171 WeakPolarHBondContact CA-O 3.02Å; Y54-V171 WeakPolarHBondContact CD2-O 3.22Å; Y54-E172 HydrophobicContact CD2-CG 3.74Å |
| 55 | F | 80.9 | Confident | 78.6 | Confident | 16 Ų | 16 | 60.8 Ų | 60.8 | 7% | 0.07 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 149.2 | 162.3 | 70.4 | -91.1 | 0 | 0 | 0 | 111.6 | V60 F61 W70 M145 F169 S170 V171 | F55-V60 HydrophobicContact CB-CG2 3.79Å; F55-V60 HydrophobicContact CD2-CB 3.99Å; F55-V60 HydrophobicContact CD2-CG1 4.46Å; F55-V60 HydrophobicContact CD2-CG2 3.54Å; F55-V60 HydrophobicContact CE2-CB 4.37Å; F55-V60 HydrophobicContact CE2-CG1 4.46Å; F55-V60 HydrophobicContact CE2-CG2 4.31Å; F55-V60 HydrophobicContact CG-CG2 3.84Å; F55-F61 HydrophobicContact CE2-CE2 4.09Å; F55-W70 HydrophobicContact CD1-CD2 4.46Å; F55-W70 AromaticContact CD1-CE2 3.73Å; F55-W70 HydrophobicContact CD1-CH2 4.3Å; F55-W70 AromaticContact CD1-CZ2 3.65Å; F55-W70 HydrophobicContact CD1-CZ2 3.65Å; F55-W70 AromaticContact CD1-NE1 3.87Å; F55-W70 AromaticContact CE1-CD2 3.77Å; F55-W70 HydrophobicContact CE1-CD2 3.77Å; F55-W70 AromaticContact CE1-CE2 3.4Å; F55-W70 HydrophobicContact CE1-CE3 4.01Å; F55-W70 HydrophobicContact CE1-CG 4.49Å; F55-W70 AromaticContact CE1-CH2 3.56Å; F55-W70 HydrophobicContact CE1-CH2 3.56Å; F55-W70 AromaticContact CE1-CZ2 3.31Å; F55-W70 HydrophobicContact CE1-CZ2 3.31Å; F55-W70 AromaticContact CE1-CZ3 3.92Å; F55-W70 HydrophobicContact CE1-CZ3 3.92Å; F55-W70 AromaticContact CE1-NE1 3.94Å; F55-W70 AromaticContact CZ-CD2 3.98Å; F55-W70 HydrophobicContact CZ-CD2 3.98Å; F55-W70 HydrophobicContact CZ-CE3 4.14Å; F55-W70 HydrophobicContact CZ-CG 4.44Å; F55-W70 HydrophobicContact CZ-CH2 4.43Å; F55-W70 HydrophobicContact CZ-CZ2 4.32Å; F55-W70 HydrophobicContact CZ-CZ3 4.36Å; F55-M145 HydrophobicContact CZ-SD 3.98Å; F55-F169 HydrophobicContact CE2-CE2 4.35Å; F55-S170 WeakPolarHBondContact O-CA 3.5Å; F55-V171 HydrophobicContact CD1-CB 3.92Å; F55-V171 HydrophobicContact CD1-CG1 4.33Å; F55-V171 HydrophobicContact CD2-CB 4.48Å; F55-V171 HydrophobicContact CE1-CB 3.47Å; F55-V171 VanDerWaalsContact CE1-CB 3.47Å; F55-V171 HydrophobicContact CE1-CG1 3.63Å; F55-V171 HydrophobicContact CE1-CG2 3.96Å; F55-V171 HydrophobicContact CE2-CB 4.09Å; F55-V171 HydrophobicContact CE2-CG2 3.83Å; F55-V171 HydrophobicContact CG-CB 4.41Å; F55-V171 HydrophobicContact CZ-CB 3.58Å; F55-V171 HydrophobicContact CZ-CG1 3.99Å; F55-V171 HydrophobicContact CZ-CG2 3.5Å; F55-V171 VanDerWaalsContact CZ-CG2 3.5Å; F55-V171 PolarHBondContact N-O 2.87Å; F55-V171 PolarHBondContact O-N 3.09Å |
| 56 | S | 83.2 | Confident | 77.8 | Confident | 34 Ų | 34 | 58.7 Ų | 58.7 | 24% | 0.238 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 146.2 | 162.2 | 57.1 | 0 | 0 | 0 | 0 | 109.5 | A58 A59 | S56-A58 VanDerWaalsContact C-N 3.32Å; S56-A58 PolarHBondContact O-N 3.1Å; S56-A59 PolarHBondContact O-N 3.34Å; S56-A59 VanDerWaalsContact O-N 3.1Å |
| 57 | A | 79.2 | Confident | 77.4 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.3 | -33.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | A59 V60 F61 D167 F169 | A57-A59 PolarHBondContact O-N 3.14Å; A57-A59 VanDerWaalsContact O-N 3.15Å; A57-V60 PolarHBondContact O-N 3.19Å; A57-F61 HydrophobicContact CB-CD2 4.05Å; A57-F61 WeakPolarHBondContact O-CA 3.37Å; A57-F61 WeakPolarHBondContact O-CB 3.41Å; A57-F61 PolarHBondContact O-N 3.37Å; A57-D167 WeakPolarHBondContact CB-O 3.38Å; A57-F169 HydrophobicContact CB-CD1 3.49Å; A57-F169 VanDerWaalsContact CB-CD1 3.49Å; A57-F169 HydrophobicContact CB-CD2 4.06Å; A57-F169 HydrophobicContact CB-CE1 3.28Å; A57-F169 HydrophobicContact CB-CE2 3.88Å; A57-F169 HydrophobicContact CB-CG 3.88Å; A57-F169 HydrophobicContact CB-CZ 3.5Å; A57-F169 VanDerWaalsContact CB-CZ 3.5Å; A57-F169 VanDerWaalsContact CB-O 3.31Å; A57-F169 WeakPolarHBondContact CB-O 3.32Å; A57-F169 PolarHBondContact N-O 3.29Å |
| 58 | A | 76.2 | Confident | 77.1 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 49% | 0.488 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.6 | -28.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S56 | S56-A58 VanDerWaalsContact C-N 3.32Å; S56-A58 PolarHBondContact O-N 3.1Å |
| 59 | A | 79.9 | Confident | 77 | Confident | 78 Ų | 78 | 52.9 Ų | 52.9 | 65% | 0.645 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -84.3 | -17.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | S56 A57 | S56-A59 PolarHBondContact O-N 3.34Å; S56-A59 VanDerWaalsContact O-N 3.1Å; A57-A59 PolarHBondContact O-N 3.14Å; A57-A59 VanDerWaalsContact O-N 3.15Å |
| 60 | V | 78.1 | Confident | 77.7 | Confident | 14 Ų | 14 | 50.6 Ų | 50.6 | 9% | 0.085 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -115.8 | -27 | -172.4 | 174 | 0 | 0 | 0 | 0 | 112.6 | C43 F55 A57 P62 W70 | C43-V60 PolarHBondContact SG-O 3.05Å; F55-V60 HydrophobicContact CB-CG2 3.79Å; F55-V60 HydrophobicContact CD2-CB 3.99Å; F55-V60 HydrophobicContact CD2-CG1 4.46Å; F55-V60 HydrophobicContact CD2-CG2 3.54Å; F55-V60 HydrophobicContact CE2-CB 4.37Å; F55-V60 HydrophobicContact CE2-CG1 4.46Å; F55-V60 HydrophobicContact CE2-CG2 4.31Å; F55-V60 HydrophobicContact CG-CG2 3.84Å; A57-V60 PolarHBondContact O-N 3.19Å; V60-P62 VanDerWaalsContact C-CD 3.47Å; V60-P62 WeakPolarHBondContact O-CD 3.46Å; V60-W70 HydrophobicContact CG1-CB 3.55Å; V60-W70 VanDerWaalsContact CG1-CD1 3.48Å; V60-W70 HydrophobicContact CG1-CG 3.76Å |
| 61 | F | 78.3 | Confident | 78 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -126.5 | 65 | -178.8 | -56.2 | -72.7 | 0 | 0 | 0 | 109.3 | F55 A57 C68 W70 V99 M145 R147 F169 | F55-F61 HydrophobicContact CE2-CE2 4.09Å; A57-F61 HydrophobicContact CB-CD2 4.05Å; A57-F61 WeakPolarHBondContact O-CA 3.37Å; A57-F61 WeakPolarHBondContact O-CB 3.41Å; A57-F61 PolarHBondContact O-N 3.37Å; F61-C68 HydrophobicContact CD1-CB 3.64Å; F61-C68 HydrophobicContact CE1-CB 4.3Å; F61-W70 HydrophobicContact CE1-CB 4.37Å; F61-W70 HydrophobicContact CZ-CB 3.81Å; F61-V99 HydrophobicContact CB-CG2 4.22Å; F61-V99 HydrophobicContact CD1-CG2 4.4Å; F61-V99 HydrophobicContact CD2-CG1 4.46Å; F61-V99 HydrophobicContact CD2-CG2 4.19Å; F61-V99 HydrophobicContact CE1-CG1 4.42Å; F61-V99 HydrophobicContact CE2-CG1 4.21Å; F61-V99 HydrophobicContact CG-CG2 4.02Å; F61-V99 HydrophobicContact CZ-CG1 4.2Å; F61-M145 HydrophobicContact CE2-CB 4.5Å; F61-M145 HydrophobicContact CZ-CB 3.78Å; F61-R147 HydrophobicContact CD1-CB 3.94Å; F61-F169 HydrophobicContact CD2-CZ 4.22Å; F61-F169 HydrophobicContact CE2-CZ 4.04Å |
| 62 | P | 74.8 | Confident | 78.4 | Confident | 46 Ų | 46 | 40.7 Ų | 40.7 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | trans | -64.3 | 145.5 | -175.6 | 30.7 | -37.7 | 0 | 0 | 0 | 110.9 | V60 N64 A65 R147 | V60-P62 VanDerWaalsContact C-CD 3.47Å; V60-P62 WeakPolarHBondContact O-CD 3.46Å; P62-N64 WeakPolarHBondContact CB-OD1 3.08Å; P62-N64 PolarHBondContact O-N 3.07Å; P62-N64 VanDerWaalsContact O-N 3.12Å; P62-A65 HydrophobicContact CG-CB 4.07Å; P62-A65 PolarHBondContact O-N 3.36Å; P62-R147 PolarHBondContact O-NH1 3.36Å | ||
| 63 | A | 68.4 | Low | 78.4 | Confident | 89 Ų | 89 | 40.5 Ų | 40.5 | 74% | 0.736 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -31.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A65 R147 | A63-A65 VanDerWaalsContact C-N 3.33Å; A63-A65 PolarHBondContact O-N 3.03Å; A63-R147 PolarHBondContact O-NH1 2.94Å |
| 64 | N | 69.9 | Low | 78.6 | Confident | 116 Ų | 116 | 40 Ų | 40 | 62% | 0.62 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -18.8 | 178.5 | 64.9 | -26.5 | 0 | 0 | 0 | 114.5 | P62 | P62-N64 WeakPolarHBondContact CB-OD1 3.08Å; P62-N64 PolarHBondContact O-N 3.07Å; P62-N64 VanDerWaalsContact O-N 3.12Å |
| 65 | A | 70.9 | Confident | 78.5 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | trans | -104.7 | 128.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E41 P62 A63 C68 R147 | E41-A65 HydrophobicContact CB-CB 4.11Å; P62-A65 HydrophobicContact CG-CB 4.07Å; P62-A65 PolarHBondContact O-N 3.36Å; A63-A65 VanDerWaalsContact C-N 3.33Å; A63-A65 PolarHBondContact O-N 3.03Å; A65-C68 WeakPolarHBondContact CB-SG 3.39Å; A65-R147 PolarHBondContact O-NH1 3.47Å | ||
| 66 | S | 68.4 | Low | 78.6 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -99.4 | -17.2 | -171.5 | 64.4 | 0 | 0 | 0 | 0 | 115 | T40 E41 Q149 | T40-S66 WeakPolarHBondContact CB-OG 3.45Å; E41-S66 PolarHBondContact O-N 3.19Å; S66-Q149 VanDerWaalsContact CB-CD 3.45Å; S66-Q149 PolarHBondContact OG-OE1 3.09Å |
| 67 | R | 74.1 | Confident | 78.6 | Confident | 92 Ų | 92 | 36.9 Ų | 36.9 | 35% | 0.347 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 61.1 | 179 | -70 | -171.5 | -58.3 | -102.8 | -11.9 | 110.4 | T40 E41 Q42 C43 | T40-R67 PolarHBondContact O-NH2 2.94Å; T40-R67 VanDerWaalsContact O-NH2 3.11Å; T40-R67 PolarHBondContact OG1-NH1 2.8Å; T40-R67 PolarHBondContact OG1-NH2 3.07Å; E41-R67 PolarHBondContact O-N 2.04Å; Q42-R67 WeakPolarHBondContact CA-O 3.04Å; Q42-R67 HydrophobicContact CG-CB 4.09Å; Q42-R67 VanDerWaalsContact NE2-NH2 3.11Å; C43-R67 PolarHBondContact N-O 3.3Å |
| 68 | C | 78.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 134.4 | 174.5 | -83.5 | 0 | 0 | 0 | 0 | 111.4 | C43 F61 A65 Q146 R147 | C43-C68 HydrophobicContact CB-CB 4.3Å; C43-C68 WeakPolarHBondContact CB-SG 3.06Å; C43-C68 CarbonylContact O-C 3.58Å; C43-C68 VanDerWaalsContact O-CA 3.29Å; C43-C68 WeakPolarHBondContact O-CA 3.42Å; C43-C68 WeakPolarHBondContact SG-CB 3.42Å; C43-C68 CovalentContact SG-SG 2.03Å; C43-C68 PolarHBondContact SG-SG 3.32Å; F61-C68 HydrophobicContact CD1-CB 3.64Å; F61-C68 HydrophobicContact CE1-CB 4.3Å; A65-C68 WeakPolarHBondContact CB-SG 3.39Å; C68-Q146 CarbonylContact O-C 3.59Å; C68-Q146 WeakPolarHBondContact O-CA 3.37Å; C68-Q146 WeakPolarHBondContact O-CG 3.37Å; C68-R147 HydrophobicContact CB-CB 4.39Å; C68-R147 PolarHBondContact O-N 2.02Å |
| 69 | S | 83.3 | Confident | 78.8 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 143.1 | 174.9 | 66.8 | 0 | 0 | 0 | 0 | 111.4 | C43 T44 T45 M145 | C43-S69 PolarHBondContact O-N 3.14Å; T44-S69 CarbonylContact C-O 3.59Å; T44-S69 WeakPolarHBondContact CA-O 3.35Å; T45-S69 PolarHBondContact N-O 3.11Å; S69-M145 CarbonylContact C-O 3.59Å; S69-M145 WeakPolarHBondContact CA-O 3.4Å |
| 70 | W | 85.6 | Confident | 78.9 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 2% | 0.019 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 131.2 | 175.7 | 179.7 | 96.6 | 0 | 0 | 0 | 109 | T45 V47 F55 V60 F61 L72 M84 L143 Q144 M145 Y173 | T45-W70 CarbonylContact O-C 3.59Å; T45-W70 WeakPolarHBondContact O-CA 3.38Å; V47-W70 HydrophobicContact CB-CZ2 4.48Å; V47-W70 HydrophobicContact CG2-CZ2 3.86Å; F55-W70 HydrophobicContact CD1-CD2 4.46Å; F55-W70 AromaticContact CD1-CE2 3.73Å; F55-W70 HydrophobicContact CD1-CH2 4.3Å; F55-W70 AromaticContact CD1-CZ2 3.65Å; F55-W70 HydrophobicContact CD1-CZ2 3.65Å; F55-W70 AromaticContact CD1-NE1 3.87Å; F55-W70 AromaticContact CE1-CD2 3.77Å; F55-W70 HydrophobicContact CE1-CD2 3.77Å; F55-W70 AromaticContact CE1-CE2 3.4Å; F55-W70 HydrophobicContact CE1-CE3 4.01Å; F55-W70 HydrophobicContact CE1-CG 4.49Å; F55-W70 AromaticContact CE1-CH2 3.56Å; F55-W70 HydrophobicContact CE1-CH2 3.56Å; F55-W70 AromaticContact CE1-CZ2 3.31Å; F55-W70 HydrophobicContact CE1-CZ2 3.31Å; F55-W70 AromaticContact CE1-CZ3 3.92Å; F55-W70 HydrophobicContact CE1-CZ3 3.92Å; F55-W70 AromaticContact CE1-NE1 3.94Å; F55-W70 AromaticContact CZ-CD2 3.98Å; F55-W70 HydrophobicContact CZ-CD2 3.98Å; F55-W70 HydrophobicContact CZ-CE3 4.14Å; F55-W70 HydrophobicContact CZ-CG 4.44Å; F55-W70 HydrophobicContact CZ-CH2 4.43Å; F55-W70 HydrophobicContact CZ-CZ2 4.32Å; F55-W70 HydrophobicContact CZ-CZ3 4.36Å; V60-W70 HydrophobicContact CG1-CB 3.55Å; V60-W70 VanDerWaalsContact CG1-CD1 3.48Å; V60-W70 HydrophobicContact CG1-CG 3.76Å; F61-W70 HydrophobicContact CE1-CB 4.37Å; F61-W70 HydrophobicContact CZ-CB 3.81Å; W70-L72 HydrophobicContact CH2-CB 3.53Å; W70-L72 HydrophobicContact CH2-CD2 4.18Å; W70-L72 HydrophobicContact CH2-CG 4.37Å; W70-L72 HydrophobicContact CZ2-CB 4.25Å; W70-L72 HydrophobicContact CZ3-CB 3.77Å; W70-M84 HydrophobicContact CH2-CE 3.84Å; W70-M84 HydrophobicContact CZ3-CE 3.78Å; W70-L143 HydrophobicContact CZ3-CD2 4.03Å; W70-Q144 CarbonylContact O-C 3.59Å; W70-Q144 VanDerWaalsContact O-CA 3.3Å; W70-Q144 WeakPolarHBondContact O-CA 3.25Å; W70-Q144 WeakPolarHBondContact O-CG 3.21Å; W70-M145 HydrophobicContact CE3-CG 4.4Å; W70-M145 PolarHBondContact N-O 2.64Å; W70-M145 PolarHBondContact O-N 3.44Å; W70-Y173 HydrophobicContact CH2-CD1 4.18Å; W70-Y173 HydrophobicContact CZ2-CD1 4.1Å; W70-Y173 HydrophobicContact CZ2-CE1 4.08Å |
| 71 | T | 83.6 | Confident | 79.1 | Confident | 23 Ų | 23 | 51.1 Ų | 51.1 | 14% | 0.141 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 125.8 | -173.8 | -46.4 | 0 | 0 | 0 | 0 | 110.4 | T45 L46 V47 F142 L143 Q144 | T45-T71 PolarHBondContact O-N 2.74Å; L46-T71 HydrophobicContact CD1-CG2 4.25Å; V47-T71 PolarHBondContact N-O 3.41Å; T71-F142 HydrophobicContact CG2-CB 4.37Å; T71-F142 HydrophobicContact CG2-CD1 4.25Å; T71-L143 CarbonylContact C-O 3.59Å; T71-L143 WeakPolarHBondContact CA-O 3.38Å; T71-Q144 PolarHBondContact OG1-NE2 3.14Å |
| 72 | L | 83.9 | Confident | 79.3 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123.7 | 169.1 | 176.6 | 61.7 | 0 | 0 | 0 | 109.7 | V47 W70 L82 F142 L143 Y173 | V47-L72 HydrophobicContact CB-CD1 3.88Å; V47-L72 HydrophobicContact CG1-CD1 3.58Å; W70-L72 HydrophobicContact CH2-CB 3.53Å; W70-L72 HydrophobicContact CH2-CD2 4.18Å; W70-L72 HydrophobicContact CH2-CG 4.37Å; W70-L72 HydrophobicContact CZ2-CB 4.25Å; W70-L72 HydrophobicContact CZ3-CB 3.77Å; L72-L82 HydrophobicContact CD2-CD1 4.06Å; L72-L82 HydrophobicContact CD2-CD2 4.13Å; L72-L82 HydrophobicContact CG-CD1 4.1Å; L72-L82 HydrophobicContact CG-CD2 4.37Å; L72-F142 CarbonylContact O-C 3.59Å; L72-F142 WeakPolarHBondContact O-CA 3.02Å; L72-L143 PolarHBondContact N-O 2.91Å; L72-L143 PolarHBondContact O-N 2.95Å; L72-Y173 HydrophobicContact CD1-CD2 3.9Å; L72-Y173 HydrophobicContact CD1-CE2 3.82Å; L72-Y173 HydrophobicContact CD2-CD2 3.65Å; L72-Y173 HydrophobicContact CD2-CE2 4.41Å; L72-Y173 HydrophobicContact CD2-CG 3.78Å; L72-Y173 HydrophobicContact CG-CD2 4.46Å |
| 73 | R | 84.2 | Confident | 79.6 | Confident | 90 Ų | 90 | 48.9 Ų | 48.9 | 34% | 0.34 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 124.9 | 175.4 | -175.8 | -179.9 | -170.3 | 174.9 | 5.2 | 110.9 | L46 V47 Q48 F142 | L46-R73 HydrophobicContact CD1-CB 4.38Å; V47-R73 PolarHBondContact O-N 3.47Å; Q48-R73 HydrophobicContact CB-CB 4.34Å; Q48-R73 HydrophobicContact CG-CB 4.49Å; R73-F142 HydrophobicContact CB-CD1 3.93Å; R73-F142 HydrophobicContact CB-CE1 3.97Å; R73-F142 HydrophobicContact CG-CD1 3.86Å; R73-F142 HydrophobicContact CG-CE1 3.51Å; R73-F142 HydrophobicContact CG-CZ 4.37Å |
| 74 | N | 83.9 | Confident | 80 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.011 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 124.4 | 167.7 | -170.9 | -22.9 | 0 | 0 | 0 | 109.8 | D76 P77 Y80 L82 K140 Q141 | N74-D76 VanDerWaalsContact C-N 3.27Å; N74-D76 PolarHBondContact O-N 2.7Å; N74-D76 VanDerWaalsContact OD1-C 3.28Å; N74-D76 PolarHBondContact OD1-N 3.09Å; N74-D76 VanDerWaalsContact OD1-N 3.1Å; N74-D76 PolarHBondContact OD1-O 2.87Å; N74-P77 HydrophobicContact CB-CG 4.38Å; N74-Y80 PolarHBondContact ND2-O 3.36Å; N74-L82 HydrophobicContact CB-CD1 4.03Å; N74-L82 HydrophobicContact CB-CD2 4.1Å; N74-L82 HydrophobicContact CB-CG 4.04Å; N74-K140 WeakPolarHBondContact CB-O 3.42Å; N74-K140 PolarHBondContact ND2-O 3.49Å; N74-K140 VanDerWaalsContact ND2-O 3.09Å; N74-Q141 PolarHBondContact N-O 3.35Å |
| 75 | P | 83.5 | Confident | 80.5 | Confident | 59 Ų | 59 | 40.8 Ų | 40.8 | 38% | 0.383 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -58.5 | -36.8 | 178.4 | -25 | 34.7 | 0 | 0 | 0 | 113.6 | F51 Y80 V175 | F51-P75 HydrophobicContact CZ-CG 4.48Å; P75-Y80 HydrophobicContact CB-CD2 4.46Å; P75-V175 HydrophobicContact CG-CG1 4.48Å |
| 76 | D | 83.2 | Confident | 80.9 | Confident | 33 Ų | 33 | 40.6 Ų | 40.6 | 18% | 0.176 | 18% | 0.177 | C | C | . | . | trans | -160.2 | 104.1 | 176.5 | -176.3 | -20.3 | 0 | 0 | 0 | 110.2 | N74 R78 R79 Y80 | N74-D76 VanDerWaalsContact C-N 3.27Å; N74-D76 PolarHBondContact O-N 2.7Å; N74-D76 VanDerWaalsContact OD1-C 3.28Å; N74-D76 PolarHBondContact OD1-N 3.09Å; N74-D76 VanDerWaalsContact OD1-N 3.1Å; N74-D76 PolarHBondContact OD1-O 2.87Å; D76-R78 PolarHBondContact O-N 3.21Å; D76-R78 VanDerWaalsContact O-N 3.08Å; D76-R78 WeakPolarHBondContact OD1-CB 3.35Å; D76-R78 PolarHBondContact OD1-N 3.21Å; D76-R79 HydrophobicContact CB-CB 4.27Å; D76-R79 PolarHBondContact O-N 2.76Å; D76-R79 IonicContact OD2-CZ 2.94Å; D76-R79 IonicContact OD2-NE 3.75Å; D76-R79 PolarHBondContact OD2-NE 2.94Å; D76-R79 IonicContact OD2-NH2 3.55Å; D76-R79 PolarHBondContact OD2-NH2 3.42Å; D76-Y80 HydrophobicContact CB-CD2 4.04Å; D76-Y80 HydrophobicContact CB-CE2 4.33Å; D76-Y80 PolarHBondContact O-N 2.84Å | ||
| 77 | P | 82 | Confident | 81.4 | Confident | 28 Ų | 28 | 41.3 Ų | 41.3 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -23.4 | -179.8 | -27.9 | 37.1 | 0 | 0 | 0 | 115.5 | N74 S139 Q141 | N74-P77 HydrophobicContact CB-CG 4.38Å; P77-S139 WeakPolarHBondContact CB-O 3.3Å; P77-Q141 HydrophobicContact CG-CB 4.3Å; P77-Q141 HydrophobicContact CG-CG 3.9Å |
| 78 | R | 79.7 | Confident | 81.6 | Confident | 225 Ų | 225 | 37.7 Ų | 37.7 | 85% | 0.849 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -29.8 | 178.9 | -58.5 | -176.5 | 176.8 | -144.8 | -1.1 | 111.3 | D76 N178 | D76-R78 PolarHBondContact O-N 3.21Å; D76-R78 VanDerWaalsContact O-N 3.08Å; D76-R78 WeakPolarHBondContact OD1-CB 3.35Å; D76-R78 PolarHBondContact OD1-N 3.21Å; R78-N178 PolarHBondContact O-ND2 3.49Å; R78-N178 VanDerWaalsContact O-ND2 3.14Å |
| 79 | R | 80 | Confident | 81.2 | Confident | 155 Ų | 155 | 38.9 Ų | 38.9 | 59% | 0.585 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103 | -23.2 | -176.9 | -74.9 | -174.3 | -73 | 177.3 | -1.7 | 114.2 | D76 G177 N178 | D76-R79 HydrophobicContact CB-CB 4.27Å; D76-R79 PolarHBondContact O-N 2.76Å; D76-R79 IonicContact OD2-CZ 2.94Å; D76-R79 IonicContact OD2-NE 3.75Å; D76-R79 PolarHBondContact OD2-NE 2.94Å; D76-R79 IonicContact OD2-NH2 3.55Å; D76-R79 PolarHBondContact OD2-NH2 3.42Å; R79-G177 CarbonylContact O-C 3.58Å; R79-G177 WeakPolarHBondContact O-CA 3.44Å; R79-N178 PolarHBondContact O-N 3.34Å |
| 80 | Y | 83.4 | Confident | 80.3 | Confident | 60 Ų | 60 | 43.9 Ų | 43.9 | 24% | 0.235 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 145.7 | -175.9 | -54.4 | -80.8 | 0 | 0 | 0 | 113.1 | F51 N74 P75 D76 V175 V176 N178 | F51-Y80 HydrophobicContact CD1-CE1 4.45Å; F51-Y80 HydrophobicContact CE1-CD1 4.01Å; F51-Y80 AromaticContact CE1-CE1 3.62Å; F51-Y80 HydrophobicContact CE1-CE1 3.62Å; F51-Y80 HydrophobicContact CE1-CE2 4.38Å; F51-Y80 AromaticContact CE1-CZ 3.83Å; F51-Y80 HydrophobicContact CZ-CE1 4.47Å; N74-Y80 PolarHBondContact ND2-O 3.36Å; P75-Y80 HydrophobicContact CB-CD2 4.46Å; D76-Y80 HydrophobicContact CB-CD2 4.04Å; D76-Y80 HydrophobicContact CB-CE2 4.33Å; D76-Y80 PolarHBondContact O-N 2.84Å; Y80-V175 HydrophobicContact CD1-CG1 4.16Å; Y80-V175 HydrophobicContact CG-CG1 4Å; Y80-V176 CarbonylContact C-O 3.55Å; Y80-V176 VanDerWaalsContact CA-O 3.25Å; Y80-V176 WeakPolarHBondContact CA-O 3.49Å; Y80-N178 PolarHBondContact N-ND2 3.02Å |
| 81 | T | 81.4 | Confident | 79.3 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 136.2 | 169.8 | -63.2 | 0 | 0 | 0 | 0 | 109.2 | Y83 Q137 V176 N178 | T81-Y83 HydrophobicContact CG2-CD2 4.12Å; T81-Y83 HydrophobicContact CG2-CE2 3.52Å; T81-Q137 HydrophobicContact CG2-CG 3.67Å; T81-V176 PolarHBondContact N-O 2.72Å; T81-V176 PolarHBondContact O-N 2.94Å; T81-N178 WeakPolarHBondContact CB-OD1 3.44Å; T81-N178 PolarHBondContact N-OD1 3.12Å; T81-N178 VanDerWaalsContact N-OD1 3.12Å; T81-N178 PolarHBondContact OG1-OD1 3.46Å |
| 82 | L | 81.9 | Confident | 78 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 130.6 | 172.3 | -55.4 | 178.9 | 0 | 0 | 0 | 109.4 | L72 N74 Q137 A138 L143 V175 | L72-L82 HydrophobicContact CD2-CD1 4.06Å; L72-L82 HydrophobicContact CD2-CD2 4.13Å; L72-L82 HydrophobicContact CG-CD1 4.1Å; L72-L82 HydrophobicContact CG-CD2 4.37Å; N74-L82 HydrophobicContact CB-CD1 4.03Å; N74-L82 HydrophobicContact CB-CD2 4.1Å; N74-L82 HydrophobicContact CB-CG 4.04Å; L82-Q137 CarbonylContact O-C 3.49Å; L82-Q137 WeakPolarHBondContact O-CA 3.5Å; L82-A138 HydrophobicContact CB-CB 4.25Å; L82-A138 WeakPolarHBondContact CB-O 3.27Å; L82-A138 PolarHBondContact N-O 2.03Å; L82-A138 PolarHBondContact O-N 2.79Å; L82-L143 HydrophobicContact CD1-CB 4.31Å; L82-V175 HydrophobicContact CD2-CB 4.27Å; L82-V175 HydrophobicContact CD2-CG1 4.1Å; L82-V175 HydrophobicContact CD2-CG2 3.62Å |
| 83 | Y | 81.2 | Confident | 76.9 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 142.6 | 168.4 | -67.2 | -92.3 | 0 | 0 | 0 | 108.7 | T81 L136 Q137 Y173 L174 V176 L189 I208 Q210 P212 | T81-Y83 HydrophobicContact CG2-CD2 4.12Å; T81-Y83 HydrophobicContact CG2-CE2 3.52Å; Y83-L136 WeakPolarHBondContact CA-O 3.41Å; Y83-Q137 HydrophobicContact CD1-CB 4.37Å; Y83-Q137 HydrophobicContact CD1-CG 4.22Å; Y83-Q137 HydrophobicContact CE1-CB 4.26Å; Y83-Q137 HydrophobicContact CE1-CG 3.73Å; Y83-Q137 PolarHBondContact OH-NE2 2.86Å; Y83-Y173 CarbonylContact O-C 3.59Å; Y83-Y173 WeakPolarHBondContact O-CA 3.25Å; Y83-L174 PolarHBondContact N-O 3.12Å; Y83-L174 PolarHBondContact O-N 3.08Å; Y83-V176 HydrophobicContact CD2-CB 3.91Å; Y83-V176 HydrophobicContact CD2-CG2 3.52Å; Y83-V176 HydrophobicContact CE2-CB 3.86Å; Y83-V176 HydrophobicContact CE2-CG2 3.95Å; Y83-V176 HydrophobicContact CG-CG2 4.5Å; Y83-L189 HydrophobicContact CD1-CD1 3.71Å; Y83-L189 HydrophobicContact CD1-CD2 4.31Å; Y83-L189 HydrophobicContact CD2-CD1 4.44Å; Y83-L189 HydrophobicContact CD2-CD2 4.2Å; Y83-L189 HydrophobicContact CE1-CD1 4.28Å; Y83-L189 HydrophobicContact CE1-CD2 4.19Å; Y83-L189 HydrophobicContact CE2-CD2 4.07Å; Y83-L189 HydrophobicContact CG-CD1 3.8Å; Y83-L189 HydrophobicContact CG-CD2 4.31Å; Y83-I208 HydrophobicContact CD1-CG2 3.84Å; Y83-I208 HydrophobicContact CE1-CG2 3.8Å; Y83-Q210 PolarHBondContact OH-O 2.66Å; Y83-Q210 VanDerWaalsContact OH-O 3.07Å; Y83-P212 WeakPolarHBondContact OH-CD 3.2Å |
| 84 | M | 78.1 | Confident | 75.4 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 131.3 | -178.2 | 174.3 | 179.7 | -74.6 | 0 | 0 | 110.1 | W70 V86 F135 L136 L143 M145 V171 E172 | W70-M84 HydrophobicContact CH2-CE 3.84Å; W70-M84 HydrophobicContact CZ3-CE 3.78Å; M84-V86 HydrophobicContact CG-CG2 3.95Å; M84-V86 HydrophobicContact SD-CG2 4.05Å; M84-F135 CarbonylContact O-C 3.52Å; M84-F135 WeakPolarHBondContact O-CA 3.43Å; M84-L136 HydrophobicContact CB-CB 4.26Å; M84-L136 PolarHBondContact N-O 2.82Å; M84-L136 PolarHBondContact O-N 2.84Å; M84-L136 HydrophobicContact SD-CD1 4.19Å; M84-L143 HydrophobicContact CE-CD1 4.09Å; M84-L143 HydrophobicContact CE-CD2 3.58Å; M84-L143 HydrophobicContact SD-CD1 4.31Å; M84-L143 HydrophobicContact SD-CD2 4.13Å; M84-M145 HydrophobicContact CE-CE 4.03Å; M84-M145 HydrophobicContact SD-CE 3.32Å; M84-M145 WeakPolarHBondContact SD-CE 3.21Å; M84-V171 HydrophobicContact CE-CG1 3.67Å; M84-V171 HydrophobicContact CG-CG1 3.5Å; M84-V171 HydrophobicContact SD-CG1 3.58Å; M84-V171 VanDerWaalsContact SD-CG1 3.58Å; M84-E172 CarbonylContact C-O 3.6Å; M84-E172 WeakPolarHBondContact CA-O 3.39Å |
| 85 | K | 79.9 | Confident | 74 | Confident | 31 Ų | 31 | 55.9 Ų | 55.9 | 14% | 0.135 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 124 | 170.5 | 179.6 | -174.3 | 77.8 | -170.5 | 0 | 108.2 | F135 V171 E172 W192 | K85-F135 HydrophobicContact CB-CD1 3.94Å; K85-F135 HydrophobicContact CB-CE1 3.67Å; K85-F135 HydrophobicContact CD-CE1 3.75Å; K85-F135 HydrophobicContact CD-CZ 3.99Å; K85-F135 HydrophobicContact CG-CD1 4.07Å; K85-F135 HydrophobicContact CG-CE1 3.41Å; K85-F135 VanDerWaalsContact CG-CE1 3.41Å; K85-F135 HydrophobicContact CG-CZ 3.8Å; K85-V171 WeakPolarHBondContact O-CA 3.33Å; K85-E172 WeakPolarHBondContact CE-OE1 3.3Å; K85-E172 WeakPolarHBondContact CE-OE2 3.36Å; K85-E172 PolarHBondContact N-O 2.81Å; K85-E172 IonicContact NZ-OE1 2.67Å; K85-E172 PolarHBondContact NZ-OE1 3.39Å; K85-E172 IonicContact NZ-OE2 2.77Å; K85-E172 PolarHBondContact NZ-OE2 3.03Å; K85-E172 PolarHBondContact O-N 2.87Å; K85-W192 HydrophobicContact CB-CD2 3.89Å; K85-W192 HydrophobicContact CB-CE3 3.8Å; K85-W192 HydrophobicContact CB-CH2 4.12Å; K85-W192 HydrophobicContact CB-CZ2 4.21Å; K85-W192 HydrophobicContact CB-CZ3 3.91Å; K85-W192 HydrophobicContact CD-CD2 4.26Å; K85-W192 HydrophobicContact CD-CG 4.19Å |
| 86 | V | 78.2 | Confident | 72.4 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.6 | 175.8 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | M84 L124 L126 L133 A134 F169 S170 V171 | M84-V86 HydrophobicContact CG-CG2 3.95Å; M84-V86 HydrophobicContact SD-CG2 4.05Å; V86-L124 HydrophobicContact CB-CD2 3.91Å; V86-L124 HydrophobicContact CG1-CD2 4.06Å; V86-L124 HydrophobicContact CG2-CD2 3.66Å; V86-L126 HydrophobicContact CG1-CD2 3.69Å; V86-L133 CarbonylContact O-C 3.56Å; V86-L133 WeakPolarHBondContact O-CA 3.46Å; V86-A134 PolarHBondContact N-O 3.07Å; V86-A134 PolarHBondContact O-N 2.73Å; V86-F169 HydrophobicContact CG1-CD2 4.07Å; V86-S170 CarbonylContact C-O 3.58Å; V86-S170 WeakPolarHBondContact CA-O 3.45Å; V86-V171 HydrophobicContact CG1-CG2 4.23Å; V86-V171 HydrophobicContact CG2-CG1 4.38Å; V86-V171 HydrophobicContact CG2-CG2 4.14Å |
| 87 | A | 79.9 | Confident | 71.2 | Confident | 27 Ų | 27 | 55.8 Ų | 55.8 | 22% | 0.223 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 120.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | L133 F169 S170 | A87-L133 HydrophobicContact CB-CD2 3.93Å; A87-F169 CarbonylContact O-C 3.5Å; A87-F169 WeakPolarHBondContact O-CA 3.46Å; A87-F169 VanDerWaalsContact O-CB 3.3Å; A87-F169 WeakPolarHBondContact O-CB 3.36Å; A87-S170 PolarHBondContact N-O 2.86Å; A87-S170 PolarHBondContact O-N 3.44Å |
| 88 | K | 77.8 | Confident | 70.5 | Confident | 16 Ų | 16 | 59 Ų | 59 | 7% | 0.07 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 144.9 | -178.9 | -52.3 | -174.1 | -159.9 | 173.7 | 0 | 110.2 | R125 L126 D128 A131 P132 | K88-R125 VanDerWaalsContact CE-O 3.3Å; K88-R125 WeakPolarHBondContact CE-O 3.44Å; K88-R125 PolarHBondContact NZ-O 3.09Å; K88-R125 VanDerWaalsContact NZ-O 3.09Å; K88-L126 WeakPolarHBondContact CD-O 3.47Å; K88-D128 VanDerWaalsContact CD-O 3.3Å; K88-D128 WeakPolarHBondContact CD-O 2.99Å; K88-D128 PolarHBondContact NZ-O 2.88Å; K88-D128 VanDerWaalsContact NZ-O 3.16Å; K88-D128 IonicContact NZ-OD2 3.33Å; K88-D128 PolarHBondContact NZ-OD2 3.39Å; K88-A131 VanDerWaalsContact CD-O 3.23Å; K88-A131 WeakPolarHBondContact CD-O 3.47Å; K88-A131 WeakPolarHBondContact CE-O 3.48Å; K88-A131 PolarHBondContact NZ-O 2.81Å; K88-A131 VanDerWaalsContact NZ-O 3.16Å; K88-P132 PolarHBondContact N-O 2.96Å |
| 89 | A | 70.9 | Confident | 70 | Confident | 26 Ų | 26 | 48.4 Ų | 48.4 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 141.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | D168 | A89-D168 HydrophobicContact CB-CB 4.05Š|
| 90 | P | 63.2 | Low | 69.4 | Low | 119 Ų | 119 | 45.1 Ų | 45.1 | 77% | 0.773 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 146.1 | 165.6 | 28.4 | -32.9 | 0 | 0 | 0 | 110.3 | ||
| 91 | A | 65.2 | Low | 68.4 | Low | 66 Ų | 66 | 42.6 Ų | 42.6 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -54 | 150.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 92 | P | 57 | Low | 67.1 | Low | 110 Ų | 110 | 44.5 Ų | 44.5 | 71% | 0.714 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | cis | -100.7 | 124.1 | 25.6 | 35 | -32.9 | 0 | 0 | 0 | 116.2 | S94 | P92-S94 PolarHBondContact O-N 2.83Š|
| 93 | C | 59.6 | Low | 65.7 | Low | 65 Ų | 65 | 49.2 Ų | 49.2 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | trans | -79.1 | 69.6 | 165.5 | -97.1 | 0 | 0 | 0 | 0 | 111.7 | C127 | C93-C127 HydrophobicContact CB-CB 3.39Å; C93-C127 WeakPolarHBondContact CB-SG 3.37Å; C93-C127 WeakPolarHBondContact SG-CA 3.42Å; C93-C127 WeakPolarHBondContact SG-CB 3.1Å; C93-C127 CovalentContact SG-SG 2.04Å; C93-C127 PolarHBondContact SG-SG 2.95Å | ||
| 94 | S | 53.2 | Low | 64 | Low | 106 Ų | 106 | 56.5 Ų | 56.5 | 74% | 0.741 | 33% | 0.328 | S | S | * | . | trans | -126.5 | 67.5 | -179.4 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | P92 | P92-S94 PolarHBondContact O-N 2.83Š| ||
| 95 | G | 54.8 | Low | 62.1 | Low | 27 Ų | 27 | 62 Ų | 62 | 28% | 0.278 | 36% | 0.357 | S | S | . | . | trans | -136.1 | 140.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G97 | G95-G97 VanDerWaalsContact C-N 3.27Å; G95-G97 PolarHBondContact O-N 2.87Å | ||
| 96 | P | 50.9 | Low | 60.3 | Low | 79 Ų | 79 | 65.3 Ų | 65.3 | 51% | 0.513 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -71.1 | -15.8 | -173.6 | 26.3 | -33.9 | 0 | 0 | 0 | 114.4 | P150 F162 | P96-P150 HydrophobicContact CB-CB 3.94Å; P96-P150 HydrophobicContact CB-CG 4.03Å; P96-P150 VanDerWaalsContact O-CB 3.31Å; P96-P150 WeakPolarHBondContact O-CB 3.31Å; P96-P150 VanDerWaalsContact O-CD 3.31Å; P96-P150 WeakPolarHBondContact O-CD 3.31Å; P96-F162 HydrophobicContact CG-CE1 4.35Å |
| 97 | G | 57.7 | Low | 58.4 | Low | 11 Ų | 11 | 68.7 Ų | 68.7 | 11% | 0.113 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -103.5 | 54.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G95 V99 R147 | G95-G97 VanDerWaalsContact C-N 3.27Å; G95-G97 PolarHBondContact O-N 2.87Å; G97-V99 PolarHBondContact O-N 2.83Å; G97-R147 WeakPolarHBondContact O-CG 3.39Å; G97-R147 PolarHBondContact O-NE 3.03Å |
| 98 | R | 67.1 | Low | 56.4 | Low | 97 Ų | 97 | 73.8 Ų | 73.8 | 37% | 0.366 | 42% | 0.422 | S | S | . | . | trans | -62.9 | 126.2 | -174.3 | -170.2 | 166.8 | 107.5 | -164.3 | 3.9 | 112.3 | E122 Q148 | R98-E122 IonicContact CZ-OE1 2.7Å; R98-E122 IonicContact CZ-OE2 3.15Å; R98-E122 IonicContact NE-OE1 3.13Å; R98-E122 PolarHBondContact NE-OE1 3.03Å; R98-E122 IonicContact NH2-OE1 3.74Å; R98-E122 PolarHBondContact NH2-OE1 2.88Å; R98-E122 IonicContact NH2-OE2 3.5Å; R98-E122 PolarHBondContact NH2-OE2 3.15Å; R98-Q148 PolarHBondContact O-N 3.03Å | ||
| 99 | V | 69 | Low | 54.3 | Low | 2 Ų | 2 | 82.4 Ų | 82.4 | 1% | 0.012 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 130.8 | 167.9 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | F61 G97 L126 R147 F169 | F61-V99 HydrophobicContact CB-CG2 4.22Å; F61-V99 HydrophobicContact CD1-CG2 4.4Å; F61-V99 HydrophobicContact CD2-CG1 4.46Å; F61-V99 HydrophobicContact CD2-CG2 4.19Å; F61-V99 HydrophobicContact CE1-CG1 4.42Å; F61-V99 HydrophobicContact CE2-CG1 4.21Å; F61-V99 HydrophobicContact CG-CG2 4.02Å; F61-V99 HydrophobicContact CZ-CG1 4.2Å; G97-V99 PolarHBondContact O-N 2.83Å; V99-L126 HydrophobicContact CB-CD1 4.11Å; V99-L126 HydrophobicContact CG1-CD1 4.13Å; V99-R147 HydrophobicContact CG2-CB 4.17Å; V99-R147 HydrophobicContact CG2-CG 4.04Å; V99-F169 HydrophobicContact CB-CE1 3.92Å; V99-F169 HydrophobicContact CB-CZ 4.23Å; V99-F169 HydrophobicContact CG1-CE1 4.13Å; V99-F169 HydrophobicContact CG1-CZ 3.91Å; V99-F169 HydrophobicContact CG2-CE1 3.99Å; V99-F169 HydrophobicContact CG2-CZ 4.44Å |
| 100 | R | 67.1 | Low | 52.5 | Low | 86 Ų | 86 | 86 Ų | 86 | 33% | 0.325 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 151.4 | 175.3 | -70.9 | -173.4 | 180 | -161.1 | 7.3 | 110.6 | Y102 Q146 | R100-Y102 HydrophobicContact CB-CD2 4.27Å; R100-Y102 HydrophobicContact CB-CE2 3.55Å; R100-Y102 VanDerWaalsContact CD-OH 3.27Å; R100-Y102 WeakPolarHBondContact CD-OH 3.24Å; R100-Q146 PolarHBondContact N-O 3.33Å; R100-Q146 PolarHBondContact O-N 3.48Å; R100-Q146 VanDerWaalsContact O-O 3.07Å |
| 101 | T | 62.9 | Low | 51.3 | Low | 6 Ų | 6 | 82.3 Ų | 82.3 | 4% | 0.037 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 113.4 | -179.4 | 52 | 0 | 0 | 0 | 0 | 109.2 | L124 L126 M145 | T101-L124 HydrophobicContact CG2-CB 4.19Å; T101-L124 PolarHBondContact OG1-N 3.35Å; T101-L124 PolarHBondContact OG1-O 3.36Å; T101-L126 HydrophobicContact CG2-CD1 4.32Å; T101-M145 HydrophobicContact CG2-CE 4.21Å; T101-M145 HydrophobicContact CG2-CG 4.11Å; T101-M145 HydrophobicContact CG2-SD 4.35Å |
| 102 | Y | 54.5 | Low | 50 | Low | 52 Ų | 52 | 88.7 Ų | 88.7 | 20% | 0.204 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 134 | -174.7 | -69.7 | -76 | 0 | 0 | 0 | 110.8 | R100 Q144 Q146 Q148 | R100-Y102 HydrophobicContact CB-CD2 4.27Å; R100-Y102 HydrophobicContact CB-CE2 3.55Å; R100-Y102 VanDerWaalsContact CD-OH 3.27Å; R100-Y102 WeakPolarHBondContact CD-OH 3.24Å; Y102-Q144 PolarHBondContact N-O 2.79Å; Y102-Q144 VanDerWaalsContact O-O 3.06Å; Y102-Q146 HydrophobicContact CD2-CB 3.86Å; Y102-Q146 HydrophobicContact CE2-CB 4.09Å; Y102-Q148 HydrophobicContact CE2-CG 4.09Å; Y102-Q148 WeakPolarHBondContact OH-CG 3.22Å; Y102-Q148 PolarHBondContact OH-NE2 3.47Å; Y102-Q148 VanDerWaalsContact OH-NE2 3.14Å; Y102-Q148 PolarHBondContact OH-OE1 2.92Å |
| 103 | Q | 52.5 | Low | 49.1 | Very low | 100 Ų | 100 | 86.6 Ų | 86.6 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | trans | -98.7 | 108.9 | 170.6 | -94.2 | 178.7 | 48.4 | 0 | 0 | 109.9 | D105 V123 | Q103-D105 PolarHBondContact O-N 3.17Å; Q103-V123 HydrophobicContact CB-CG2 4.05Å; Q103-V123 HydrophobicContact CG-CG2 3.71Å; Q103-V123 VanDerWaalsContact NE2-CG1 3.25Å; Q103-V123 VanDerWaalsContact NE2-CG2 3.32Å | ||
| 104 | F | 45.5 | Very low | 48.1 | Very low | 158 Ų | 158 | 90.8 Ų | 90.8 | 69% | 0.693 | 46% | 0.464 | S | S | * | . | trans | -75.7 | 110.4 | 162 | -93.6 | -83.8 | 0 | 0 | 0 | 110.1 | ||||
| 105 | D | 37.6 | Very low | 47.2 | Very low | 118 Ų | 118 | 87.8 Ų | 87.8 | 63% | 0.631 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 71 | 123.1 | 159.8 | -131.9 | -35.9 | 0 | 0 | 0 | 120.7 | Q103 K140 | Q103-D105 PolarHBondContact O-N 3.17Å; D105-K140 VanDerWaalsContact O-CD 3.26Å; D105-K140 WeakPolarHBondContact O-CD 3.06Å; D105-K140 WeakPolarHBondContact O-CE 3.39Å; D105-K140 PolarHBondContact O-NZ 2.62Å |
| 106 | S | 41.3 | Very low | 46.3 | Very low | 100 Ų | 100 | 89.9 Ų | 89.9 | 70% | 0.699 | 46% | 0.461 | S | S | * | . | trans | 60.7 | 72.2 | 153.4 | -66.3 | 0 | 0 | 0 | 0 | 119.2 | K140 | S106-K140 VanDerWaalsContact C-CE 3.5Å; S106-K140 WeakPolarHBondContact O-CE 3.27Å; S106-K140 PolarHBondContact O-NZ 2.84Å; S106-K140 VanDerWaalsContact O-NZ 3.16Å | ||
| 107 | F | 39.4 | Very low | 45.4 | Very low | 72 Ų | 72 | 89.4 Ų | 89.4 | 32% | 0.316 | 46% | 0.457 | S | S | . | . | trans | -92.2 | 140.6 | 166.1 | -160.9 | -121.1 | 0 | 0 | 0 | 110 | T111 | F107-T111 VanDerWaalsContact CE1-CB 3.45Å; F107-T111 WeakPolarHBondContact CE1-O 3.41Å; F107-T111 VanDerWaalsContact CE1-OG1 3.22Å; F107-T111 WeakPolarHBondContact CE1-OG1 3.44Å; F107-T111 VanDerWaalsContact CZ-CB 3.41Å; F107-T111 HydrophobicContact CZ-CG2 4.23Å; F107-T111 VanDerWaalsContact CZ-OG1 3.24Å; F107-T111 WeakPolarHBondContact CZ-OG1 3.35Å | ||
| 108 | L | 37 | Very low | 44.2 | Very low | 134 Ų | 134 | 98.1 Ų | 98.1 | 70% | 0.702 | 49% | 0.494 | S | S | * | . | trans | -74.9 | 131.7 | 172.7 | -75.2 | 168.4 | 0 | 0 | 0 | 109.7 | S110 T111 | L108-S110 PolarHBondContact O-N 3.43Å; L108-T111 PolarHBondContact O-N 3.42Å; L108-T111 PolarHBondContact O-OG1 3.44Å; L108-T111 VanDerWaalsContact O-OG1 3.07Å | ||
| 109 | E | 34 | Very low | 42.9 | Very low | 197 Ų | 197 | 96.4 Ų | 96.4 | 92% | 0.921 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -10.3 | -176.8 | -163.8 | 167.2 | -168.9 | 0 | 0 | 114.2 | ||
| 110 | S | 32.3 | Very low | 41.6 | Very low | 100 Ų | 100 | 106.4 Ų | 106.4 | 70% | 0.699 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -17.2 | -179.7 | 54.1 | 0 | 0 | 0 | 0 | 115.6 | L108 R112 | L108-S110 PolarHBondContact O-N 3.43Å; S110-R112 PolarHBondContact O-N 2.86Å |
| 111 | T | 37.8 | Very low | 40.4 | Very low | 43 Ų | 43 | 107.8 Ų | 107.8 | 26% | 0.264 | 56% | 0.555 | S | S | . | * | trans | -94.8 | 87.6 | -172.2 | 3.5 | 0 | 0 | 0 | 0 | 111.7 | F107 L108 T113 | F107-T111 VanDerWaalsContact CE1-CB 3.45Å; F107-T111 WeakPolarHBondContact CE1-O 3.41Å; F107-T111 VanDerWaalsContact CE1-OG1 3.22Å; F107-T111 WeakPolarHBondContact CE1-OG1 3.44Å; F107-T111 VanDerWaalsContact CZ-CB 3.41Å; F107-T111 HydrophobicContact CZ-CG2 4.23Å; F107-T111 VanDerWaalsContact CZ-OG1 3.24Å; F107-T111 WeakPolarHBondContact CZ-OG1 3.35Å; L108-T111 PolarHBondContact O-N 3.42Å; L108-T111 PolarHBondContact O-OG1 3.44Å; L108-T111 VanDerWaalsContact O-OG1 3.07Å; T111-T113 PolarHBondContact O-N 3.08Å | ||
| 112 | R | 38.8 | Very low | 40 | Very low | 199 Ų | 199 | 108.8 Ų | 108.8 | 75% | 0.751 | 56% | 0.559 | S | S | * | * | trans | -67.7 | 93.5 | 172.5 | -70.6 | -177.6 | 177.6 | 176.9 | -1.7 | 111.1 | S110 Y114 | S110-R112 PolarHBondContact O-N 2.86Å; R112-Y114 PolarHBondContact O-N 3.16Å | ||
| 113 | T | 39.1 | Very low | 40 | Very low | 67 Ų | 67 | 108.4 Ų | 108.4 | 41% | 0.411 | 56% | 0.562 | S | S | . | * | trans | -66.6 | 118.2 | 160.2 | 42.9 | 0 | 0 | 0 | 0 | 108.7 | T111 L115 | T111-T113 PolarHBondContact O-N 3.08Å; T113-L115 PolarHBondContact O-N 3.18Å | ||
| 114 | Y | 37.4 | Very low | 40.7 | Very low | 152 Ų | 152 | 103.8 Ų | 103.8 | 60% | 0.596 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -75.9 | 49.4 | 176.4 | -83.6 | -89.4 | 0 | 0 | 0 | 112.5 | R112 | R112-Y114 PolarHBondContact O-N 3.16Š|
| 115 | L | 35.2 | Very low | 41.8 | Very low | 43 Ų | 43 | 102 Ų | 102 | 23% | 0.225 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -109.5 | 100 | 159.1 | -70.8 | 167.1 | 0 | 0 | 0 | 105 | T113 V117 L124 A134 L136 | T113-L115 PolarHBondContact O-N 3.18Å; L115-V117 PolarHBondContact O-N 2.95Å; L115-L124 HydrophobicContact CD1-CD1 3.94Å; L115-L124 HydrophobicContact CD2-CD1 4.42Å; L115-A134 HydrophobicContact CD1-CB 4.27Å; L115-A134 HydrophobicContact CD2-CB 3.8Å; L115-L136 HydrophobicContact CD1-CD2 3.73Å; L115-L136 HydrophobicContact CD1-CG 4.48Å |
| 116 | G | 34.8 | Very low | 43.4 | Very low | 72 Ų | 72 | 97 Ų | 97 | 74% | 0.742 | 50% | 0.503 | S | S | * | . | trans | -65.7 | 107.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 117 | V | 32.6 | Very low | 44.7 | Very low | 69 Ų | 69 | 94.6 Ų | 94.6 | 42% | 0.418 | 49% | 0.485 | S | S | . | . | -174.4 | 154.7 | 123.7 | -90.9 | 0 | 0 | 0 | 0 | 112.9 | L115 S119 R125 | L115-V117 PolarHBondContact O-N 2.95Å; V117-S119 PolarHBondContact O-N 3.27Å; V117-R125 VanDerWaalsContact CG1-CZ 3.49Å; V117-R125 VanDerWaalsContact CG1-NH1 3.29Å; V117-R125 HydrophobicContact CG2-CG 4.33Å; V117-R125 VanDerWaalsContact CG2-NE 3.29Å | |||
| 118 | E | 33.5 | Very low | 46 | Very low | 193 Ų | 193 | 93.7 Ų | 93.7 | 90% | 0.902 | 48% | 0.484 | S | S | * | . | trans | -71 | 106 | 169.4 | -57.7 | 148.7 | 137.6 | 0 | 0 | 110.9 | ||||
| 119 | S | 37.8 | Very low | 47.3 | Very low | 61 Ų | 61 | 91.5 Ų | 91.5 | 43% | 0.427 | 48% | 0.479 | S | S | . | . | trans | -170 | 147.3 | 146.5 | 63.4 | 0 | 0 | 0 | 0 | 110.2 | V117 D121 | V117-S119 PolarHBondContact O-N 3.27Å; S119-D121 PolarHBondContact O-N 2.91Å | ||
| 120 | F | 42.1 | Very low | 48.6 | Very low | 212 Ų | 212 | 84.5 Ų | 84.5 | 93% | 0.93 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -76.5 | -11.1 | 178.3 | -62.9 | -86 | 0 | 0 | 0 | 113.3 | ||
| 121 | D | 43.2 | Very low | 50.3 | Low | 116 Ų | 116 | 80.8 Ų | 80.8 | 62% | 0.62 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -103.8 | -13.6 | -167.6 | -61.1 | -47 | 0 | 0 | 0 | 115.5 | S119 | S119-D121 PolarHBondContact O-N 2.91Š|
| 122 | E | 52.8 | Low | 51.8 | Low | 27 Ų | 27 | 83 Ų | 83 | 13% | 0.126 | 44% | 0.443 | C | S | . | . | trans | -141.6 | 99.7 | -179.5 | -170.6 | 167.9 | -125.8 | 0 | 0 | 112.1 | R98 L124 | R98-E122 IonicContact CZ-OE1 2.7Å; R98-E122 IonicContact CZ-OE2 3.15Å; R98-E122 IonicContact NE-OE1 3.13Å; R98-E122 PolarHBondContact NE-OE1 3.03Å; R98-E122 IonicContact NH2-OE1 3.74Å; R98-E122 PolarHBondContact NH2-OE1 2.88Å; R98-E122 IonicContact NH2-OE2 3.5Å; R98-E122 PolarHBondContact NH2-OE2 3.15Å; E122-L124 PolarHBondContact O-N 3.42Å | ||
| 123 | V | 56.2 | Low | 53.4 | Low | 44 Ų | 44 | 76.2 Ų | 76.2 | 27% | 0.267 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -72.4 | -30.5 | -171.3 | 173.1 | 0 | 0 | 0 | 0 | 113 | Q103 L136 | Q103-V123 HydrophobicContact CB-CG2 4.05Å; Q103-V123 HydrophobicContact CG-CG2 3.71Å; Q103-V123 VanDerWaalsContact NE2-CG1 3.25Å; Q103-V123 VanDerWaalsContact NE2-CG2 3.32Å; V123-L136 HydrophobicContact CG1-CD2 4Å |
| 124 | L | 67.2 | Low | 55 | Low | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.016 | 40% | 0.402 | C | S | . | . | trans | -141.7 | 118.6 | 179.3 | 170.5 | 61.2 | 0 | 0 | 0 | 109.9 | V86 T101 L115 E122 L126 A134 L136 | V86-L124 HydrophobicContact CB-CD2 3.91Å; V86-L124 HydrophobicContact CG1-CD2 4.06Å; V86-L124 HydrophobicContact CG2-CD2 3.66Å; T101-L124 HydrophobicContact CG2-CB 4.19Å; T101-L124 PolarHBondContact OG1-N 3.35Å; T101-L124 PolarHBondContact OG1-O 3.36Å; L115-L124 HydrophobicContact CD1-CD1 3.94Å; L115-L124 HydrophobicContact CD2-CD1 4.42Å; E122-L124 PolarHBondContact O-N 3.42Å; L124-L126 HydrophobicContact CD2-CD2 3.65Å; L124-L126 HydrophobicContact CG-CD2 3.98Å; L124-L126 HydrophobicContact CG-CG 4.41Å; L124-L126 PolarHBondContact O-N 2.96Å; L124-L126 VanDerWaalsContact O-N 3.09Å; L124-A134 HydrophobicContact CD1-CB 3.39Å; L124-A134 HydrophobicContact CD2-CB 4.25Å; L124-A134 HydrophobicContact CG-CB 4.49Å; L124-L136 HydrophobicContact CB-CD1 4.3Å; L124-L136 HydrophobicContact CD2-CD1 3.95Å | ||
| 125 | R | 67.6 | Low | 56.7 | Low | 119 Ų | 119 | 66.8 Ų | 66.8 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | trans | -73 | 94.9 | 166 | -69.4 | -175.4 | 174.1 | 170.3 | 4 | 110 | K88 V117 C127 D128 | K88-R125 VanDerWaalsContact CE-O 3.3Å; K88-R125 WeakPolarHBondContact CE-O 3.44Å; K88-R125 PolarHBondContact NZ-O 3.09Å; K88-R125 VanDerWaalsContact NZ-O 3.09Å; V117-R125 VanDerWaalsContact CG1-CZ 3.49Å; V117-R125 VanDerWaalsContact CG1-NH1 3.29Å; V117-R125 HydrophobicContact CG2-CG 4.33Å; V117-R125 VanDerWaalsContact CG2-NE 3.29Å; R125-C127 PolarHBondContact O-N 3.27Å; R125-D128 HydrophobicContact CB-CB 4.18Å | ||
| 126 | L | 70.9 | Confident | 58.6 | Low | 14 Ų | 14 | 65.6 Ų | 65.6 | 7% | 0.073 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -64.9 | -29.6 | 172.3 | -65.4 | 174.4 | 0 | 0 | 0 | 112.2 | V86 K88 V99 T101 L124 D128 F169 | V86-L126 HydrophobicContact CG1-CD2 3.69Å; K88-L126 WeakPolarHBondContact CD-O 3.47Å; V99-L126 HydrophobicContact CB-CD1 4.11Å; V99-L126 HydrophobicContact CG1-CD1 4.13Å; T101-L126 HydrophobicContact CG2-CD1 4.32Å; L124-L126 HydrophobicContact CD2-CD2 3.65Å; L124-L126 HydrophobicContact CG-CD2 3.98Å; L124-L126 HydrophobicContact CG-CG 4.41Å; L124-L126 PolarHBondContact O-N 2.96Å; L124-L126 VanDerWaalsContact O-N 3.09Å; L126-D128 PolarHBondContact O-N 3.22Å; L126-F169 HydrophobicContact CD1-CD1 4.12Å; L126-F169 HydrophobicContact CD1-CE1 3.75Å; L126-F169 HydrophobicContact CD1-CE2 4.27Å; L126-F169 HydrophobicContact CD1-CZ 3.83Å; L126-F169 HydrophobicContact CD2-CD2 4.16Å; L126-F169 HydrophobicContact CD2-CE2 4.39Å; L126-F169 HydrophobicContact CD2-CG 4.27Å |
| 127 | C | 69.9 | Low | 60.5 | Low | 50 Ų | 50 | 64 Ų | 64 | 34% | 0.338 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -97.4 | 59.1 | -177.9 | -76.2 | 0 | 0 | 0 | 0 | 112.8 | C93 R125 | C93-C127 HydrophobicContact CB-CB 3.39Å; C93-C127 WeakPolarHBondContact CB-SG 3.37Å; C93-C127 WeakPolarHBondContact SG-CA 3.42Å; C93-C127 WeakPolarHBondContact SG-CB 3.1Å; C93-C127 CovalentContact SG-SG 2.04Å; C93-C127 PolarHBondContact SG-SG 2.95Å; R125-C127 PolarHBondContact O-N 3.27Å |
| 128 | D | 65.9 | Low | 62.4 | Low | 53 Ų | 53 | 61.5 Ų | 61.5 | 28% | 0.283 | 33% | 0.331 | S | S | . | . | trans | -142.5 | 106.9 | 179.3 | 161.6 | 38.7 | 0 | 0 | 0 | 109.5 | K88 R125 L126 S130 | K88-D128 VanDerWaalsContact CD-O 3.3Å; K88-D128 WeakPolarHBondContact CD-O 2.99Å; K88-D128 PolarHBondContact NZ-O 2.88Å; K88-D128 VanDerWaalsContact NZ-O 3.16Å; K88-D128 IonicContact NZ-OD2 3.33Å; K88-D128 PolarHBondContact NZ-OD2 3.39Å; R125-D128 HydrophobicContact CB-CB 4.18Å; L126-D128 PolarHBondContact O-N 3.22Å; D128-S130 VanDerWaalsContact C-N 3.3Å; D128-S130 PolarHBondContact O-N 3.19Å; D128-S130 WeakPolarHBondContact OD1-CB 3.29Å; D128-S130 PolarHBondContact OD1-N 3.26Å; D128-S130 VanDerWaalsContact OD1-N 3.13Å; D128-S130 PolarHBondContact OD1-OG 2.86Å; D128-S130 PolarHBondContact OD2-OG 2.88Å | ||
| 129 | S | 65.2 | Low | 64 | Low | 87 Ų | 87 | 55.4 Ų | 55.4 | 61% | 0.608 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -6.6 | -176.1 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | A131 | S129-A131 VanDerWaalsContact C-N 3.32Š|
| 130 | S | 61.3 | Low | 65.5 | Low | 51 Ų | 51 | 54.5 Ų | 54.5 | 36% | 0.357 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -26.7 | 179.9 | 80.2 | 0 | 0 | 0 | 0 | 112.8 | D128 H204 | D128-S130 VanDerWaalsContact C-N 3.3Å; D128-S130 PolarHBondContact O-N 3.19Å; D128-S130 WeakPolarHBondContact OD1-CB 3.29Å; D128-S130 PolarHBondContact OD1-N 3.26Å; D128-S130 VanDerWaalsContact OD1-N 3.13Å; D128-S130 PolarHBondContact OD1-OG 2.86Å; D128-S130 PolarHBondContact OD2-OG 2.88Å; S130-H204 VanDerWaalsContact CB-NE2 3.26Å; S130-H204 WeakPolarHBondContact CB-NE2 3Å; S130-H204 PolarHBondContact OG-CD2 3.44Å; S130-H204 PolarHBondContact OG-NE2 2.94Å |
| 131 | A | 66.6 | Low | 67 | Low | 21 Ų | 21 | 49.3 Ų | 49.3 | 17% | 0.174 | 28% | 0.277 | C | S | . | . | trans | -127.8 | 98.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K88 S129 L133 | K88-A131 VanDerWaalsContact CD-O 3.23Å; K88-A131 WeakPolarHBondContact CD-O 3.47Å; K88-A131 WeakPolarHBondContact CE-O 3.48Å; K88-A131 PolarHBondContact NZ-O 2.81Å; K88-A131 VanDerWaalsContact NZ-O 3.16Å; S129-A131 VanDerWaalsContact C-N 3.32Å; A131-L133 VanDerWaalsContact C-N 3.25Å; A131-L133 PolarHBondContact O-N 3.38Å | ||
| 132 | P | 70.3 | Confident | 68.6 | Low | 90 Ų | 90 | 48.1 Ų | 48.1 | 58% | 0.584 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -71.9 | -17.3 | -175 | 29.3 | -36.2 | 0 | 0 | 0 | 113.8 | K88 | K88-P132 PolarHBondContact N-O 2.96Š|
| 133 | L | 72.4 | Confident | 69.7 | Low | 56 Ų | 56 | 48.1 Ų | 48.1 | 29% | 0.293 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 141.8 | 173.4 | -65.1 | 176.8 | 0 | 0 | 0 | 109.5 | V86 A87 A131 F135 | V86-L133 CarbonylContact O-C 3.56Å; V86-L133 WeakPolarHBondContact O-CA 3.46Å; A87-L133 HydrophobicContact CB-CD2 3.93Å; A131-L133 VanDerWaalsContact C-N 3.25Å; A131-L133 PolarHBondContact O-N 3.38Å; L133-F135 HydrophobicContact CB-CE2 4.04Å; L133-F135 HydrophobicContact CB-CZ 4.49Å |
| 134 | A | 73.1 | Confident | 70.7 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 146.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V86 L115 L124 | V86-A134 PolarHBondContact N-O 3.07Å; V86-A134 PolarHBondContact O-N 2.73Å; L115-A134 HydrophobicContact CD1-CB 4.27Å; L115-A134 HydrophobicContact CD2-CB 3.8Å; L124-A134 HydrophobicContact CD1-CB 3.39Å; L124-A134 HydrophobicContact CD2-CB 4.25Å; L124-A134 HydrophobicContact CG-CB 4.49Å |
| 135 | F | 73.3 | Confident | 71.3 | Confident | 21 Ų | 21 | 48 Ų | 48 | 9% | 0.092 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.5 | -178.8 | -64 | -88.6 | 0 | 0 | 0 | 110.3 | M84 K85 L133 W192 C196 C206 I208 | M84-F135 CarbonylContact O-C 3.52Å; M84-F135 WeakPolarHBondContact O-CA 3.43Å; K85-F135 HydrophobicContact CB-CD1 3.94Å; K85-F135 HydrophobicContact CB-CE1 3.67Å; K85-F135 HydrophobicContact CD-CE1 3.75Å; K85-F135 HydrophobicContact CD-CZ 3.99Å; K85-F135 HydrophobicContact CG-CD1 4.07Å; K85-F135 HydrophobicContact CG-CE1 3.41Å; K85-F135 VanDerWaalsContact CG-CE1 3.41Å; K85-F135 HydrophobicContact CG-CZ 3.8Å; L133-F135 HydrophobicContact CB-CE2 4.04Å; L133-F135 HydrophobicContact CB-CZ 4.49Å; F135-W192 HydrophobicContact CD1-CE3 4.44Å; F135-W192 HydrophobicContact CE1-CB 3.82Å; F135-W192 HydrophobicContact CE1-CD2 4.44Å; F135-W192 HydrophobicContact CE1-CE3 4.37Å; F135-W192 HydrophobicContact CE1-CG 4.24Å; F135-W192 WeakPolarHBondContact CZ-O 3.41Å; F135-C196 HydrophobicContact CD2-CB 4.04Å; F135-C196 HydrophobicContact CE2-CB 3.41Å; F135-C196 VanDerWaalsContact CE2-CB 3.41Å; F135-C196 HydrophobicContact CZ-CB 3.77Å; F135-C206 VanDerWaalsContact CD2-SG 3.54Å; F135-C206 VanDerWaalsContact CE2-SG 3.55Å; F135-I208 HydrophobicContact CB-CG1 4.14Å; F135-I208 HydrophobicContact CD1-CD1 3.65Å; F135-I208 HydrophobicContact CD1-CG1 4.04Å; F135-I208 HydrophobicContact CE1-CD1 3.99Å; F135-I208 HydrophobicContact CG-CD1 4.15Å; F135-I208 HydrophobicContact CG-CG1 4.01Å |
| 136 | L | 73.8 | Confident | 71.7 | Confident | 17 Ų | 17 | 45.2 Ų | 45.2 | 9% | 0.089 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 138.8 | 178.9 | -66.2 | 171.8 | 0 | 0 | 0 | 109.7 | Y83 M84 L115 V123 L124 | Y83-L136 WeakPolarHBondContact CA-O 3.41Å; M84-L136 HydrophobicContact CB-CB 4.26Å; M84-L136 PolarHBondContact N-O 2.82Å; M84-L136 PolarHBondContact O-N 2.84Å; M84-L136 HydrophobicContact SD-CD1 4.19Å; L115-L136 HydrophobicContact CD1-CD2 3.73Å; L115-L136 HydrophobicContact CD1-CG 4.48Å; V123-L136 HydrophobicContact CG1-CD2 4Å; L124-L136 HydrophobicContact CB-CD1 4.3Å; L124-L136 HydrophobicContact CD2-CD1 3.95Å |
| 137 | Q | 74.9 | Confident | 71.9 | Confident | 39 Ų | 39 | 46 Ų | 46 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.9 | 174.3 | -176.6 | -172.1 | 11.4 | 0 | 0 | 108.2 | T81 L82 Y83 M209 | T81-Q137 HydrophobicContact CG2-CG 3.67Å; L82-Q137 CarbonylContact O-C 3.49Å; L82-Q137 WeakPolarHBondContact O-CA 3.5Å; Y83-Q137 HydrophobicContact CD1-CB 4.37Å; Y83-Q137 HydrophobicContact CD1-CG 4.22Å; Y83-Q137 HydrophobicContact CE1-CB 4.26Å; Y83-Q137 HydrophobicContact CE1-CG 3.73Å; Y83-Q137 PolarHBondContact OH-NE2 2.86Å; Q137-M209 PolarHBondContact OE1-O 2.87Å |
| 138 | A | 73.5 | Confident | 71.7 | Confident | 17 Ų | 17 | 47.2 Ų | 47.2 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 114.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L82 K140 L143 | L82-A138 HydrophobicContact CB-CB 4.25Å; L82-A138 WeakPolarHBondContact CB-O 3.27Å; L82-A138 PolarHBondContact N-O 2.03Å; L82-A138 PolarHBondContact O-N 2.79Å; A138-K140 VanDerWaalsContact C-N 3.34Å; A138-L143 HydrophobicContact CB-CD1 4.09Å |
| 139 | S | 66.5 | Low | 71.3 | Confident | 64 Ų | 64 | 48.2 Ų | 48.2 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | trans | -91.7 | 13.9 | 179 | 52 | 0 | 0 | 0 | 0 | 113.8 | P77 | P77-S139 WeakPolarHBondContact CB-O 3.3Š| ||
| 140 | K | 69.8 | Low | 70.7 | Confident | 43 Ų | 43 | 46.3 Ų | 46.3 | 19% | 0.187 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -109 | -179 | -173.3 | -58.7 | -171 | -140.6 | 159.8 | 0 | 113.3 | N74 D105 S106 A138 | N74-K140 WeakPolarHBondContact CB-O 3.42Å; N74-K140 PolarHBondContact ND2-O 3.49Å; N74-K140 VanDerWaalsContact ND2-O 3.09Å; D105-K140 VanDerWaalsContact O-CD 3.26Å; D105-K140 WeakPolarHBondContact O-CD 3.06Å; D105-K140 WeakPolarHBondContact O-CE 3.39Å; D105-K140 PolarHBondContact O-NZ 2.62Å; S106-K140 VanDerWaalsContact C-CE 3.5Å; S106-K140 WeakPolarHBondContact O-CE 3.27Å; S106-K140 PolarHBondContact O-NZ 2.84Å; S106-K140 VanDerWaalsContact O-NZ 3.16Å; A138-K140 VanDerWaalsContact C-N 3.34Å |
| 141 | Q | 73.6 | Confident | 69.9 | Low | 103 Ų | 103 | 49 Ų | 49 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -62 | -39.9 | -178.6 | -63.3 | -100.3 | -58.7 | 0 | 0 | 113.9 | N74 P77 | N74-Q141 PolarHBondContact N-O 3.35Å; P77-Q141 HydrophobicContact CG-CB 4.3Å; P77-Q141 HydrophobicContact CG-CG 3.9Å |
| 142 | F | 75.9 | Confident | 69.1 | Low | 91 Ų | 91 | 56.3 Ų | 56.3 | 40% | 0.399 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 152.4 | -170.5 | -53.7 | -80 | 0 | 0 | 0 | 112.2 | T71 L72 R73 | T71-F142 HydrophobicContact CG2-CB 4.37Å; T71-F142 HydrophobicContact CG2-CD1 4.25Å; L72-F142 CarbonylContact O-C 3.59Å; L72-F142 WeakPolarHBondContact O-CA 3.02Å; R73-F142 HydrophobicContact CB-CD1 3.93Å; R73-F142 HydrophobicContact CB-CE1 3.97Å; R73-F142 HydrophobicContact CG-CD1 3.86Å; R73-F142 HydrophobicContact CG-CE1 3.51Å; R73-F142 HydrophobicContact CG-CZ 4.37Å |
| 143 | L | 76.7 | Confident | 67.8 | Low | 27 Ų | 27 | 59.1 Ų | 59.1 | 14% | 0.141 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 129.1 | 167.5 | -178.1 | 160.3 | 0 | 0 | 0 | 107.6 | W70 T71 L72 L82 M84 A138 M145 | W70-L143 HydrophobicContact CZ3-CD2 4.03Å; T71-L143 CarbonylContact C-O 3.59Å; T71-L143 WeakPolarHBondContact CA-O 3.38Å; L72-L143 PolarHBondContact N-O 2.91Å; L72-L143 PolarHBondContact O-N 2.95Å; L82-L143 HydrophobicContact CD1-CB 4.31Å; M84-L143 HydrophobicContact CE-CD1 4.09Å; M84-L143 HydrophobicContact CE-CD2 3.58Å; M84-L143 HydrophobicContact SD-CD1 4.31Å; M84-L143 HydrophobicContact SD-CD2 4.13Å; A138-L143 HydrophobicContact CB-CD1 4.09Å; L143-M145 HydrophobicContact CD2-CE 4.4Å |
| 144 | Q | 77.2 | Confident | 66.8 | Low | 44 Ų | 44 | 60.2 Ų | 60.2 | 21% | 0.206 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 146.5 | -174.8 | -164.8 | 176.5 | 35 | 0 | 0 | 112.5 | W70 T71 Y102 | W70-Q144 CarbonylContact O-C 3.59Å; W70-Q144 VanDerWaalsContact O-CA 3.3Å; W70-Q144 WeakPolarHBondContact O-CA 3.25Å; W70-Q144 WeakPolarHBondContact O-CG 3.21Å; T71-Q144 PolarHBondContact OG1-NE2 3.14Å; Y102-Q144 PolarHBondContact N-O 2.79Å; Y102-Q144 VanDerWaalsContact O-O 3.06Å |
| 145 | M | 78.6 | Confident | 65.3 | Low | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140 | 169.4 | -61.3 | -170.4 | 177.3 | 0 | 0 | 108.6 | F55 F61 S69 W70 M84 T101 L143 F169 V171 | F55-M145 HydrophobicContact CZ-SD 3.98Å; F61-M145 HydrophobicContact CE2-CB 4.5Å; F61-M145 HydrophobicContact CZ-CB 3.78Å; S69-M145 CarbonylContact C-O 3.59Å; S69-M145 WeakPolarHBondContact CA-O 3.4Å; W70-M145 HydrophobicContact CE3-CG 4.4Å; W70-M145 PolarHBondContact N-O 2.64Å; W70-M145 PolarHBondContact O-N 3.44Å; M84-M145 HydrophobicContact CE-CE 4.03Å; M84-M145 HydrophobicContact SD-CE 3.32Å; M84-M145 WeakPolarHBondContact SD-CE 3.21Å; T101-M145 HydrophobicContact CG2-CE 4.21Å; T101-M145 HydrophobicContact CG2-CG 4.11Å; T101-M145 HydrophobicContact CG2-SD 4.35Å; L143-M145 HydrophobicContact CD2-CE 4.4Å; M145-F169 HydrophobicContact SD-CE2 4.22Å; M145-V171 HydrophobicContact CE-CG2 4.35Å |
| 146 | Q | 76.1 | Confident | 64.3 | Low | 60 Ų | 60 | 74.7 Ų | 74.7 | 28% | 0.28 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 132.9 | -178.5 | -164.7 | -174.4 | 31.8 | 0 | 0 | 111.1 | C68 R100 Y102 | C68-Q146 CarbonylContact O-C 3.59Å; C68-Q146 WeakPolarHBondContact O-CA 3.37Å; C68-Q146 WeakPolarHBondContact O-CG 3.37Å; R100-Q146 PolarHBondContact N-O 3.33Å; R100-Q146 PolarHBondContact O-N 3.48Å; R100-Q146 VanDerWaalsContact O-O 3.07Å; Y102-Q146 HydrophobicContact CD2-CB 3.86Å; Y102-Q146 HydrophobicContact CE2-CB 4.09Å |
| 147 | R | 74.9 | Confident | 62.6 | Low | 29 Ų | 29 | 77 Ų | 77 | 11% | 0.109 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 125.3 | 166.1 | -163.2 | 179.1 | -163.7 | -150.2 | 5.6 | 109.1 | F61 P62 A63 A65 C68 G97 V99 D167 | F61-R147 HydrophobicContact CD1-CB 3.94Å; P62-R147 PolarHBondContact O-NH1 3.36Å; A63-R147 PolarHBondContact O-NH1 2.94Å; A65-R147 PolarHBondContact O-NH1 3.47Å; C68-R147 HydrophobicContact CB-CB 4.39Å; C68-R147 PolarHBondContact O-N 2.02Å; G97-R147 WeakPolarHBondContact O-CG 3.39Å; G97-R147 PolarHBondContact O-NE 3.03Å; V99-R147 HydrophobicContact CG2-CB 4.17Å; V99-R147 HydrophobicContact CG2-CG 4.04Å; R147-D167 IonicContact NH2-OD2 2.64Å |
| 148 | Q | 65.6 | Low | 61.1 | Low | 77 Ų | 77 | 81.4 Ų | 81.4 | 36% | 0.36 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -94.5 | 143.4 | 171.9 | -69.2 | -129.7 | -47.4 | 0 | 0 | 110.6 | R98 Y102 | R98-Q148 PolarHBondContact O-N 3.03Å; Y102-Q148 HydrophobicContact CE2-CG 4.09Å; Y102-Q148 WeakPolarHBondContact OH-CG 3.22Å; Y102-Q148 PolarHBondContact OH-NE2 3.47Å; Y102-Q148 VanDerWaalsContact OH-NE2 3.14Å; Y102-Q148 PolarHBondContact OH-OE1 2.92Å |
| 149 | Q | 58.6 | Low | 60 | Low | 74 Ų | 74 | 89.5 Ų | 89.5 | 35% | 0.346 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 142.3 | 164.6 | -168.7 | 94.5 | 60.6 | 0 | 0 | 108 | S66 | S66-Q149 VanDerWaalsContact CB-CD 3.45Å; S66-Q149 PolarHBondContact OG-OE1 3.09Å |
| 150 | P | 53 | Low | 58.5 | Low | 46 Ų | 46 | 89 Ų | 89 | 30% | 0.299 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -54 | 149.8 | 164.8 | 23.4 | -34.6 | 0 | 0 | 0 | 110.3 | P96 Q152 | P96-P150 HydrophobicContact CB-CB 3.94Å; P96-P150 HydrophobicContact CB-CG 4.03Å; P96-P150 VanDerWaalsContact O-CB 3.31Å; P96-P150 WeakPolarHBondContact O-CB 3.31Å; P96-P150 VanDerWaalsContact O-CD 3.31Å; P96-P150 WeakPolarHBondContact O-CD 3.31Å; P150-Q152 PolarHBondContact O-N 3.42Å |
| 151 | P | 44.4 | Very low | 57.1 | Low | 109 Ų | 109 | 96.1 Ų | 96.1 | 71% | 0.708 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 129.4 | 162.1 | -19.8 | 31.9 | 0 | 0 | 0 | 108.8 | D153 | P151-D153 PolarHBondContact O-N 3.28Š|
| 152 | Q | 49.3 | Very low | 55.3 | Low | 174 Ų | 174 | 98.8 Ų | 98.8 | 81% | 0.813 | 55% | 0.55 | S | S | * | . | trans | -79 | 72.4 | 169.6 | -69.6 | -171.8 | 5.6 | 0 | 0 | 108.7 | P150 G154 | P150-Q152 PolarHBondContact O-N 3.42Å; Q152-G154 PolarHBondContact O-N 3.02Å; Q152-G154 VanDerWaalsContact O-N 3.09Å | ||
| 153 | D | 43.1 | Very low | 53.7 | Low | 149 Ų | 149 | 99.8 Ų | 99.8 | 80% | 0.797 | 57% | 0.565 | S | S | * | * | trans | -67.7 | 104.1 | 159.4 | -75 | -33.7 | 0 | 0 | 0 | 106.7 | P151 D155 | P151-D153 PolarHBondContact O-N 3.28Å; D153-D155 PolarHBondContact O-N 2.91Å; D153-D155 VanDerWaalsContact O-N 3.07Å | ||
| 154 | G | 50.3 | Low | 52.2 | Low | 79 Ų | 79 | 104.2 Ų | 104.2 | 81% | 0.814 | 60% | 0.599 | S | S | * | * | trans | -76 | 93.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q152 | Q152-G154 PolarHBondContact O-N 3.02Å; Q152-G154 VanDerWaalsContact O-N 3.09Å | ||
| 155 | D | 41.4 | Very low | 50.9 | Low | 153 Ų | 153 | 104.4 Ų | 104.4 | 82% | 0.818 | 61% | 0.605 | S | S | * | * | trans | -149.6 | 157.5 | 144.4 | -139.8 | -20.3 | 0 | 0 | 0 | 113.1 | D153 | D153-D155 PolarHBondContact O-N 2.91Å; D153-D155 VanDerWaalsContact O-N 3.07Å | ||
| 156 | L | 53.8 | Low | 49.7 | Very low | 173 Ų | 173 | 107.6 Ų | 107.6 | 91% | 0.906 | 63% | 0.627 | S | S | * | * | trans | -81.3 | 118.6 | -167.8 | -71.3 | 154.8 | 0 | 0 | 0 | 112.3 | ||||
| 157 | G | 37.7 | Very low | 48.9 | Very low | 64 Ų | 64 | 106.5 Ų | 106.5 | 66% | 0.66 | 62% | 0.623 | S | S | * | * | trans | -125.6 | 139.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 158 | P | 43.3 | Very low | 48.6 | Very low | 132 Ų | 132 | 109.7 Ų | 109.7 | 86% | 0.857 | 64% | 0.642 | S | S | * | * | trans | -66.6 | 151.4 | -173.5 | 27.6 | -34.6 | 0 | 0 | 0 | 112.1 | G160 | P158-G160 VanDerWaalsContact C-N 3.32Å; P158-G160 PolarHBondContact O-N 2.83Å | ||
| 159 | Q | 49.7 | Very low | 49.2 | Very low | 188 Ų | 188 | 106.4 Ų | 106.4 | 88% | 0.879 | 63% | 0.627 | S | S | * | * | trans | -61.6 | 88.4 | 175 | -71.1 | 179.6 | -37.5 | 0 | 0 | 111.2 | ||||
| 160 | G | 34.8 | Very low | 50.3 | Low | 53 Ų | 53 | 104.1 Ų | 104.1 | 55% | 0.546 | 62% | 0.619 | S | S | . | * | trans | -66.3 | 133.7 | 148.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | P158 F162 | P158-G160 VanDerWaalsContact C-N 3.32Å; P158-G160 PolarHBondContact O-N 2.83Å; G160-F162 PolarHBondContact O-N 2.72Å | ||
| 161 | E | 41.2 | Very low | 51.7 | Low | 193 Ų | 193 | 101.9 Ų | 101.9 | 90% | 0.902 | 61% | 0.605 | S | S | * | * | trans | -52 | 108.6 | 176.2 | -70 | 162.6 | 114.7 | 0 | 0 | 109.2 | P163 | E161-P163 WeakPolarHBondContact O-CD 3.44Å; E161-P163 VanDerWaalsContact O-N 3.08Å | ||
| 162 | F | 36.6 | Very low | 53.6 | Low | 159 Ų | 159 | 98.9 Ų | 98.9 | 70% | 0.697 | 58% | 0.581 | S | S | * | * | trans | -59.7 | 117.3 | 177.6 | -73.8 | -82.9 | 0 | 0 | 0 | 107.6 | P96 G160 S164 | P96-F162 HydrophobicContact CG-CE1 4.35Å; G160-F162 PolarHBondContact O-N 2.72Å; F162-S164 PolarHBondContact O-N 3.07Å | ||
| 163 | P | 40.7 | Very low | 55.3 | Low | 111 Ų | 111 | 91.1 Ų | 91.1 | 72% | 0.721 | 54% | 0.544 | S | S | * | . | trans | -56.7 | 134 | 166.3 | -15.4 | 29.2 | 0 | 0 | 0 | 105.8 | E161 S165 | E161-P163 WeakPolarHBondContact O-CD 3.44Å; E161-P163 VanDerWaalsContact O-N 3.08Å; P163-S165 PolarHBondContact O-N 3.39Å | ||
| 164 | S | 46.6 | Very low | 57.3 | Low | 121 Ų | 121 | 84.3 Ų | 84.3 | 85% | 0.846 | 51% | 0.508 | S | S | * | . | trans | -64.4 | 81.4 | 164.8 | 54.3 | 0 | 0 | 0 | 0 | 107.4 | F162 S166 | F162-S164 PolarHBondContact O-N 3.07Å; S164-S166 PolarHBondContact O-N 2.84Å | ||
| 165 | S | 50 | Low | 58.9 | Low | 48 Ų | 48 | 80.8 Ų | 80.8 | 34% | 0.336 | 47% | 0.471 | S | S | . | . | trans | -67.4 | 87.6 | 173 | 65.7 | 0 | 0 | 0 | 0 | 105.8 | P163 D167 | P163-S165 PolarHBondContact O-N 3.39Å; S165-D167 PolarHBondContact O-N 3.49Å | ||
| 166 | S | 52.3 | Low | 60.9 | Low | 68 Ų | 68 | 73.5 Ų | 73.5 | 48% | 0.476 | 43% | 0.432 | S | S | . | . | trans | -52.8 | 108.4 | 171 | -168.5 | 0 | 0 | 0 | 0 | 106 | S164 D168 | S164-S166 PolarHBondContact O-N 2.84Å; S166-D168 PolarHBondContact O-N 2.96Å; S166-D168 WeakPolarHBondContact OG-CB 3.26Å | ||
| 167 | D | 59.1 | Low | 62.2 | Low | 36 Ų | 36 | 65.6 Ų | 65.6 | 19% | 0.193 | 39% | 0.392 | C | S | . | . | trans | -65.7 | 72.7 | 162.5 | -78.2 | -54.4 | 0 | 0 | 0 | 105.3 | A57 R147 S165 F169 | A57-D167 WeakPolarHBondContact CB-O 3.38Å; R147-D167 IonicContact NH2-OD2 2.64Å; S165-D167 PolarHBondContact O-N 3.49Å; D167-F169 HydrophobicContact CB-CD1 4.39Å; D167-F169 HydrophobicContact CB-CE1 4.47Å; D167-F169 PolarHBondContact O-N 3.09Å | ||
| 168 | D | 68.9 | Low | 64.3 | Low | 97 Ų | 97 | 65.3 Ų | 65.3 | 52% | 0.519 | 38% | 0.375 | S | S | . | . | trans | -89.2 | 38.4 | -164.4 | -148 | -4.7 | 0 | 0 | 0 | 111.8 | A89 S166 | A89-D168 HydrophobicContact CB-CB 4.05Å; S166-D168 PolarHBondContact O-N 2.96Å; S166-D168 WeakPolarHBondContact OG-CB 3.26Å | ||
| 169 | F | 78.4 | Confident | 65.9 | Low | 7 Ų | 7 | 70 Ų | 70 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | trans | -83.6 | 146.1 | 171.3 | 77.1 | -93.3 | 0 | 0 | 0 | 109.4 | F55 A57 F61 V86 A87 V99 L126 M145 D167 V171 | F55-F169 HydrophobicContact CE2-CE2 4.35Å; A57-F169 HydrophobicContact CB-CD1 3.49Å; A57-F169 VanDerWaalsContact CB-CD1 3.49Å; A57-F169 HydrophobicContact CB-CD2 4.06Å; A57-F169 HydrophobicContact CB-CE1 3.28Å; A57-F169 HydrophobicContact CB-CE2 3.88Å; A57-F169 HydrophobicContact CB-CG 3.88Å; A57-F169 HydrophobicContact CB-CZ 3.5Å; A57-F169 VanDerWaalsContact CB-CZ 3.5Å; A57-F169 VanDerWaalsContact CB-O 3.31Å; A57-F169 WeakPolarHBondContact CB-O 3.32Å; A57-F169 PolarHBondContact N-O 3.29Å; F61-F169 HydrophobicContact CD2-CZ 4.22Å; F61-F169 HydrophobicContact CE2-CZ 4.04Å; V86-F169 HydrophobicContact CG1-CD2 4.07Å; A87-F169 CarbonylContact O-C 3.5Å; A87-F169 WeakPolarHBondContact O-CA 3.46Å; A87-F169 VanDerWaalsContact O-CB 3.3Å; A87-F169 WeakPolarHBondContact O-CB 3.36Å; V99-F169 HydrophobicContact CB-CE1 3.92Å; V99-F169 HydrophobicContact CB-CZ 4.23Å; V99-F169 HydrophobicContact CG1-CE1 4.13Å; V99-F169 HydrophobicContact CG1-CZ 3.91Å; V99-F169 HydrophobicContact CG2-CE1 3.99Å; V99-F169 HydrophobicContact CG2-CZ 4.44Å; L126-F169 HydrophobicContact CD1-CD1 4.12Å; L126-F169 HydrophobicContact CD1-CE1 3.75Å; L126-F169 HydrophobicContact CD1-CE2 4.27Å; L126-F169 HydrophobicContact CD1-CZ 3.83Å; L126-F169 HydrophobicContact CD2-CD2 4.16Å; L126-F169 HydrophobicContact CD2-CE2 4.39Å; L126-F169 HydrophobicContact CD2-CG 4.27Å; M145-F169 HydrophobicContact SD-CE2 4.22Å; D167-F169 HydrophobicContact CB-CD1 4.39Å; D167-F169 HydrophobicContact CB-CE1 4.47Å; D167-F169 PolarHBondContact O-N 3.09Å; F169-V171 HydrophobicContact CD2-CG2 3.75Å; F169-V171 HydrophobicContact CE2-CG2 3.71Å | ||
| 170 | S | 81.9 | Confident | 67.1 | Low | 26 Ų | 26 | 68.1 Ų | 68.1 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 150.7 | 176.1 | 68 | 0 | 0 | 0 | 0 | 111 | Y54 F55 V86 A87 | Y54-S170 WeakPolarHBondContact OH-CB 3.48Å; F55-S170 WeakPolarHBondContact O-CA 3.5Å; V86-S170 CarbonylContact C-O 3.58Å; V86-S170 WeakPolarHBondContact CA-O 3.45Å; A87-S170 PolarHBondContact N-O 2.86Å; A87-S170 PolarHBondContact O-N 3.44Å |
| 171 | V | 83.2 | Confident | 69.4 | Low | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 121.5 | -169.4 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | Y54 F55 M84 K85 V86 M145 F169 | Y54-V171 CarbonylContact C-O 3.55Å; Y54-V171 VanDerWaalsContact CA-O 3.27Å; Y54-V171 WeakPolarHBondContact CA-O 3.02Å; Y54-V171 WeakPolarHBondContact CD2-O 3.22Å; F55-V171 HydrophobicContact CD1-CB 3.92Å; F55-V171 HydrophobicContact CD1-CG1 4.33Å; F55-V171 HydrophobicContact CD2-CB 4.48Å; F55-V171 HydrophobicContact CE1-CB 3.47Å; F55-V171 VanDerWaalsContact CE1-CB 3.47Å; F55-V171 HydrophobicContact CE1-CG1 3.63Å; F55-V171 HydrophobicContact CE1-CG2 3.96Å; F55-V171 HydrophobicContact CE2-CB 4.09Å; F55-V171 HydrophobicContact CE2-CG2 3.83Å; F55-V171 HydrophobicContact CG-CB 4.41Å; F55-V171 HydrophobicContact CZ-CB 3.58Å; F55-V171 HydrophobicContact CZ-CG1 3.99Å; F55-V171 HydrophobicContact CZ-CG2 3.5Å; F55-V171 VanDerWaalsContact CZ-CG2 3.5Å; F55-V171 PolarHBondContact N-O 2.87Å; F55-V171 PolarHBondContact O-N 3.09Å; M84-V171 HydrophobicContact CE-CG1 3.67Å; M84-V171 HydrophobicContact CG-CG1 3.5Å; M84-V171 HydrophobicContact SD-CG1 3.58Å; M84-V171 VanDerWaalsContact SD-CG1 3.58Å; K85-V171 WeakPolarHBondContact O-CA 3.33Å; V86-V171 HydrophobicContact CG1-CG2 4.23Å; V86-V171 HydrophobicContact CG2-CG1 4.38Å; V86-V171 HydrophobicContact CG2-CG2 4.14Å; M145-V171 HydrophobicContact CE-CG2 4.35Å; F169-V171 HydrophobicContact CD2-CG2 3.75Å; F169-V171 HydrophobicContact CE2-CG2 3.71Å |
| 172 | E | 84.1 | Confident | 71.1 | Confident | 46 Ų | 46 | 61.4 Ų | 61.4 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 136.3 | 163.4 | -64.9 | 169 | -139.7 | 0 | 0 | 108.6 | G53 Y54 M84 K85 W192 | G53-E172 WeakPolarHBondContact O-CA 2.97Å; Y54-E172 HydrophobicContact CD2-CG 3.74Å; M84-E172 CarbonylContact C-O 3.6Å; M84-E172 WeakPolarHBondContact CA-O 3.39Å; K85-E172 WeakPolarHBondContact CE-OE1 3.3Å; K85-E172 WeakPolarHBondContact CE-OE2 3.36Å; K85-E172 PolarHBondContact N-O 2.81Å; K85-E172 IonicContact NZ-OE1 2.67Å; K85-E172 PolarHBondContact NZ-OE1 3.39Å; K85-E172 IonicContact NZ-OE2 2.77Å; K85-E172 PolarHBondContact NZ-OE2 3.03Å; K85-E172 PolarHBondContact O-N 2.87Å; E172-W192 HydrophobicContact CB-CH2 3.91Å; E172-W192 HydrophobicContact CB-CZ2 3.45Å; E172-W192 VanDerWaalsContact CB-CZ2 3.45Å; E172-W192 HydrophobicContact CG-CZ2 4.46Å; E172-W192 WeakPolarHBondContact O-CH2 3.35Å; E172-W192 WeakPolarHBondContact OE2-CZ2 3.35Å; E172-W192 PolarHBondContact OE2-NE1 3.48Å |
| 173 | Y | 84.8 | Confident | 72.9 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 4% | 0.039 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 149.3 | 174.9 | 67.4 | -91.2 | 0 | 0 | 0 | 111.5 | V47 K50 F52 G53 W70 L72 Y83 | V47-Y173 HydrophobicContact CG1-CE2 4.1Å; V47-Y173 VanDerWaalsContact CG1-OH 3.27Å; V47-Y173 WeakPolarHBondContact CG1-OH 3.37Å; K50-Y173 HydrophobicContact CB-CE2 4.49Å; F52-Y173 WeakPolarHBondContact CA-O 3.35Å; F52-Y173 VanDerWaalsContact CD2-O 3.23Å; F52-Y173 WeakPolarHBondContact CD2-O 3.43Å; G53-Y173 VanDerWaalsContact C-CE1 3.43Å; G53-Y173 VanDerWaalsContact CA-CZ 3.46Å; G53-Y173 PolarHBondContact N-O 3.44Å; G53-Y173 WeakPolarHBondContact O-CD1 3.23Å; G53-Y173 PolarHBondContact O-N 3.27Å; W70-Y173 HydrophobicContact CH2-CD1 4.18Å; W70-Y173 HydrophobicContact CZ2-CD1 4.1Å; W70-Y173 HydrophobicContact CZ2-CE1 4.08Å; L72-Y173 HydrophobicContact CD1-CD2 3.9Å; L72-Y173 HydrophobicContact CD1-CE2 3.82Å; L72-Y173 HydrophobicContact CD2-CD2 3.65Å; L72-Y173 HydrophobicContact CD2-CE2 4.41Å; L72-Y173 HydrophobicContact CD2-CG 3.78Å; L72-Y173 HydrophobicContact CG-CD2 4.46Å; Y83-Y173 CarbonylContact O-C 3.59Å; Y83-Y173 WeakPolarHBondContact O-CA 3.25Å |
| 174 | L | 84.8 | Confident | 74.4 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 137.1 | -176.4 | -175 | 71.2 | 0 | 0 | 0 | 109.8 | F51 F52 Y83 V176 A185 M188 L189 W192 | F51-L174 CarbonylContact O-C 3.55Å; F52-L174 HydrophobicContact CB-CD1 4.18Å; F52-L174 HydrophobicContact CD2-CD1 4.28Å; Y83-L174 PolarHBondContact N-O 3.12Å; Y83-L174 PolarHBondContact O-N 3.08Å; L174-V176 HydrophobicContact CB-CG2 4.46Å; L174-V176 HydrophobicContact CD2-CG2 3.53Å; L174-V176 HydrophobicContact CG-CG2 3.64Å; L174-A185 HydrophobicContact CD1-CB 4.13Å; L174-A185 HydrophobicContact CD2-CB 4.21Å; L174-A185 WeakPolarHBondContact CD2-O 3.38Å; L174-A185 HydrophobicContact CG-CB 4.4Å; L174-M188 HydrophobicContact CD1-SD 4.42Å; L174-M188 HydrophobicContact CD2-CB 4.15Å; L174-L189 HydrophobicContact CD2-CB 4.15Å; L174-W192 HydrophobicContact CB-CH2 3.9Å; L174-W192 HydrophobicContact CB-CZ3 4.24Å |
| 175 | V | 83.6 | Confident | 75.7 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 111.2 | 178.6 | -173.4 | 0 | 0 | 0 | 0 | 107.9 | K50 F51 P75 Y80 L82 | K50-V175 WeakPolarHBondContact O-CG2 3.4Å; F51-V175 HydrophobicContact CB-CB 4.34Å; F51-V175 HydrophobicContact CD1-CB 3.82Å; F51-V175 HydrophobicContact CD1-CG1 3.87Å; F51-V175 HydrophobicContact CE1-CG1 4.16Å; F51-V175 HydrophobicContact CG-CB 4.44Å; F51-V175 PolarHBondContact O-N 2.89Å; P75-V175 HydrophobicContact CG-CG1 4.48Å; Y80-V175 HydrophobicContact CD1-CG1 4.16Å; Y80-V175 HydrophobicContact CG-CG1 4Å; L82-V175 HydrophobicContact CD2-CB 4.27Å; L82-V175 HydrophobicContact CD2-CG1 4.1Å; L82-V175 HydrophobicContact CD2-CG2 3.62Å |
| 176 | V | 84 | Confident | 77.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.7 | -167.8 | -173.8 | 0 | 0 | 0 | 0 | 110 | Y80 T81 Y83 L174 P181 A185 L189 P212 | Y80-V176 CarbonylContact C-O 3.55Å; Y80-V176 VanDerWaalsContact CA-O 3.25Å; Y80-V176 WeakPolarHBondContact CA-O 3.49Å; T81-V176 PolarHBondContact N-O 2.72Å; T81-V176 PolarHBondContact O-N 2.94Å; Y83-V176 HydrophobicContact CD2-CB 3.91Å; Y83-V176 HydrophobicContact CD2-CG2 3.52Å; Y83-V176 HydrophobicContact CE2-CB 3.86Å; Y83-V176 HydrophobicContact CE2-CG2 3.95Å; Y83-V176 HydrophobicContact CG-CG2 4.5Å; L174-V176 HydrophobicContact CB-CG2 4.46Å; L174-V176 HydrophobicContact CD2-CG2 3.53Å; L174-V176 HydrophobicContact CG-CG2 3.64Å; V176-P181 HydrophobicContact CG1-CB 3.62Å; V176-A185 HydrophobicContact CG2-CB 4.31Å; V176-L189 HydrophobicContact CG2-CD2 4.32Å; V176-P212 HydrophobicContact CG1-CG 3.54Å |
| 177 | G | 81.3 | Confident | 78.4 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 132.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R79 R179 P181 P212 | R79-G177 CarbonylContact O-C 3.58Å; R79-G177 WeakPolarHBondContact O-CA 3.44Å; G177-R179 PolarHBondContact O-N 3.33Å; G177-P181 WeakPolarHBondContact O-CB 3.27Å; G177-P181 WeakPolarHBondContact O-CD 3.46Å; G177-P212 WeakPolarHBondContact O-CG 3.46Å |
| 178 | N | 81.7 | Confident | 79.3 | Confident | 57 Ų | 57 | 55.7 Ų | 55.7 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -72.3 | -26.3 | -175.2 | -64.2 | -16.2 | 0 | 0 | 0 | 113.6 | R78 R79 Y80 T81 | R78-N178 PolarHBondContact O-ND2 3.49Å; R78-N178 VanDerWaalsContact O-ND2 3.14Å; R79-N178 PolarHBondContact O-N 3.34Å; Y80-N178 PolarHBondContact N-ND2 3.02Å; T81-N178 WeakPolarHBondContact CB-OD1 3.44Å; T81-N178 PolarHBondContact N-OD1 3.12Å; T81-N178 VanDerWaalsContact N-OD1 3.12Å; T81-N178 PolarHBondContact OG1-OD1 3.46Å |
| 179 | R | 76.8 | Confident | 79.7 | Confident | 232 Ų | 232 | 51.1 Ų | 51.1 | 88% | 0.875 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -112.6 | -40.8 | -179.6 | -65.6 | -172.1 | 178.4 | -149.3 | -1.1 | 113.3 | G177 | G177-R179 PolarHBondContact O-N 3.33Š|
| 180 | N | 74 | Confident | 79.7 | Confident | 148 Ų | 148 | 51.6 Ų | 51.6 | 79% | 0.791 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -131.8 | 77 | 179.7 | -64.7 | 87.6 | 0 | 0 | 0 | 108 | ||
| 181 | P | 82.7 | Confident | 79.6 | Confident | 32 Ų | 32 | 59.6 Ų | 59.6 | 21% | 0.208 | 30% | 0.295 | C | S | . | . | trans | -65.2 | 146.7 | 171.1 | 30.3 | -35.7 | 0 | 0 | 0 | 110 | V176 G177 C186 P212 | V176-P181 HydrophobicContact CG1-CB 3.62Å; G177-P181 WeakPolarHBondContact O-CB 3.27Å; G177-P181 WeakPolarHBondContact O-CD 3.46Å; P181-C186 VanDerWaalsContact CB-SG 3.53Å; P181-C186 WeakPolarHBondContact CG-SG 3.33Å; P181-P212 HydrophobicContact CB-CG 4.33Å; P181-P212 HydrophobicContact CG-CB 4.32Å; P181-P212 HydrophobicContact CG-CG 4.39Å | ||
| 182 | S | 78.2 | Confident | 79.3 | Confident | 72 Ų | 72 | 60 Ų | 60 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | trans | -74 | 148.3 | 175.8 | 67.7 | 0 | 0 | 0 | 0 | 110.6 | A184 A185 C186 | S182-A184 VanDerWaalsContact C-N 3.27Å; S182-A184 PolarHBondContact O-N 2.04Å; S182-A185 PolarHBondContact O-N 2.83Å; S182-A185 VanDerWaalsContact OG-CB 3.24Å; S182-A185 WeakPolarHBondContact OG-CB 3.24Å; S182-A185 PolarHBondContact OG-N 3.06Å; S182-C186 PolarHBondContact O-N 3.06Å | ||
| 183 | H | 73.4 | Confident | 78.9 | Confident | 155 Ų | 155 | 59.4 Ų | 59.4 | 72% | 0.718 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -53.5 | -44.8 | 179.2 | -177.6 | -90.2 | 0 | 0 | 0 | 112.2 | A185 C186 Q187 | H183-A185 PolarHBondContact O-N 2.91Å; H183-C186 PolarHBondContact O-N 3.15Å; H183-Q187 WeakPolarHBondContact O-CB 3.21Å; H183-Q187 PolarHBondContact O-N 3.1Å |
| 184 | A | 72.9 | Confident | 78.3 | Confident | 60 Ų | 60 | 63.2 Ų | 63.2 | 50% | 0.496 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S182 Q187 M188 | S182-A184 VanDerWaalsContact C-N 3.27Å; S182-A184 PolarHBondContact O-N 2.04Å; A184-Q187 PolarHBondContact O-N 2.95Å; A184-M188 WeakPolarHBondContact O-CG 3.42Å; A184-M188 PolarHBondContact O-N 3.28Å |
| 185 | A | 74.3 | Confident | 77.5 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 3% | 0.033 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L174 V176 S182 H183 M188 L189 | L174-A185 HydrophobicContact CD1-CB 4.13Å; L174-A185 HydrophobicContact CD2-CB 4.21Å; L174-A185 WeakPolarHBondContact CD2-O 3.38Å; L174-A185 HydrophobicContact CG-CB 4.4Å; V176-A185 HydrophobicContact CG2-CB 4.31Å; S182-A185 PolarHBondContact O-N 2.83Å; S182-A185 VanDerWaalsContact OG-CB 3.24Å; S182-A185 WeakPolarHBondContact OG-CB 3.24Å; S182-A185 PolarHBondContact OG-N 3.06Å; H183-A185 PolarHBondContact O-N 2.91Å; A185-M188 PolarHBondContact O-N 2.95Å; A185-L189 WeakPolarHBondContact O-CB 3.34Å; A185-L189 PolarHBondContact O-N 3.03Å |
| 186 | C | 78.5 | Confident | 76.7 | Confident | 21 Ų | 21 | 65 Ų | 65 | 14% | 0.142 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 174.1 | -70.1 | 0 | 0 | 0 | 0 | 112.8 | P181 S182 H183 M188 L189 C190 C213 | P181-C186 VanDerWaalsContact CB-SG 3.53Å; P181-C186 WeakPolarHBondContact CG-SG 3.33Å; S182-C186 PolarHBondContact O-N 3.06Å; H183-C186 PolarHBondContact O-N 3.15Å; C186-M188 VanDerWaalsContact C-N 3.29Å; C186-M188 PolarHBondContact O-N 2.77Å; C186-L189 PolarHBondContact O-N 3.4Å; C186-C190 WeakPolarHBondContact O-CB 3.39Å; C186-C190 PolarHBondContact O-N 3.47Å; C186-C190 PolarHBondContact O-SG 2.96Å; C186-C213 WeakPolarHBondContact CA-SG 3.36Å; C186-C213 HydrophobicContact CB-CB 3.48Å; C186-C213 VanDerWaalsContact CB-CB 3.48Å; C186-C213 WeakPolarHBondContact CB-SG 3.49Å; C186-C213 WeakPolarHBondContact SG-CB 3.45Å; C186-C213 CovalentContact SG-SG 2.04Å; C186-C213 PolarHBondContact SG-SG 2.82Å |
| 187 | Q | 79.2 | Confident | 76 | Confident | 127 Ų | 127 | 69.5 Ų | 69.5 | 59% | 0.593 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58 | -41.3 | 177.6 | -172 | 179.9 | 3.6 | 0 | 0 | 112 | H183 A184 R191 | H183-Q187 WeakPolarHBondContact O-CB 3.21Å; H183-Q187 PolarHBondContact O-N 3.1Å; A184-Q187 PolarHBondContact O-N 2.95Å; Q187-R191 WeakPolarHBondContact O-CB 3.3Å; Q187-R191 PolarHBondContact O-N 2.82Å; Q187-R191 VanDerWaalsContact O-N 3.09Å |
| 188 | M | 79.3 | Confident | 75.1 | Confident | 56 Ų | 56 | 73.5 Ų | 73.5 | 28% | 0.276 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.6 | -45.4 | 175.2 | -68.1 | -168.6 | 74 | 0 | 0 | 112.5 | F52 L174 A184 A185 C186 C190 R191 W192 | F52-M188 HydrophobicContact CD2-CE 3.74Å; F52-M188 HydrophobicContact CD2-SD 4.08Å; F52-M188 HydrophobicContact CE2-CE 3.34Å; F52-M188 HydrophobicContact CE2-SD 4.26Å; F52-M188 HydrophobicContact CG-SD 4.48Å; F52-M188 HydrophobicContact CZ-CE 3.82Å; L174-M188 HydrophobicContact CD1-SD 4.42Å; L174-M188 HydrophobicContact CD2-CB 4.15Å; A184-M188 WeakPolarHBondContact O-CG 3.42Å; A184-M188 PolarHBondContact O-N 3.28Å; A185-M188 PolarHBondContact O-N 2.95Å; C186-M188 VanDerWaalsContact C-N 3.29Å; C186-M188 PolarHBondContact O-N 2.77Å; M188-C190 VanDerWaalsContact C-N 3.34Å; M188-C190 PolarHBondContact O-N 2.79Å; M188-R191 PolarHBondContact O-N 3.31Å; M188-W192 WeakPolarHBondContact O-CB 2.94Å; M188-W192 VanDerWaalsContact O-CD1 3.29Å; M188-W192 PolarHBondContact O-N 3.26Å |
| 189 | L | 77 | Confident | 73.9 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.1 | -36.3 | -178.9 | -171.4 | 58.6 | 0 | 0 | 0 | 112.3 | Y83 L174 V176 A185 C186 W192 L193 I208 T211 | Y83-L189 HydrophobicContact CD1-CD1 3.71Å; Y83-L189 HydrophobicContact CD1-CD2 4.31Å; Y83-L189 HydrophobicContact CD2-CD1 4.44Å; Y83-L189 HydrophobicContact CD2-CD2 4.2Å; Y83-L189 HydrophobicContact CE1-CD1 4.28Å; Y83-L189 HydrophobicContact CE1-CD2 4.19Å; Y83-L189 HydrophobicContact CE2-CD2 4.07Å; Y83-L189 HydrophobicContact CG-CD1 3.8Å; Y83-L189 HydrophobicContact CG-CD2 4.31Å; L174-L189 HydrophobicContact CD2-CB 4.15Å; V176-L189 HydrophobicContact CG2-CD2 4.32Å; A185-L189 WeakPolarHBondContact O-CB 3.34Å; A185-L189 PolarHBondContact O-N 3.03Å; C186-L189 PolarHBondContact O-N 3.4Å; L189-W192 HydrophobicContact CD1-CE3 4.36Å; L189-W192 WeakPolarHBondContact O-CB 2.95Å; L189-W192 PolarHBondContact O-N 3.4Å; L189-L193 PolarHBondContact O-N 3.09Å; L189-I208 HydrophobicContact CD1-CD1 4.12Å; L189-I208 HydrophobicContact CD1-CG2 4.17Å; L189-T211 VanDerWaalsContact CD2-OG1 3.26Å; L189-T211 WeakPolarHBondContact CD2-OG1 3.49Å |
| 190 | C | 77.9 | Confident | 72.9 | Confident | 16 Ų | 16 | 64.4 Ų | 64.4 | 11% | 0.108 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.9 | -46.6 | 173.5 | -63.3 | 0 | 0 | 0 | 0 | 111.7 | C186 M188 W192 L193 D194 C215 | C186-C190 WeakPolarHBondContact O-CB 3.39Å; C186-C190 PolarHBondContact O-N 3.47Å; C186-C190 PolarHBondContact O-SG 2.96Å; M188-C190 VanDerWaalsContact C-N 3.34Å; M188-C190 PolarHBondContact O-N 2.79Å; C190-W192 PolarHBondContact O-N 2.83Å; C190-L193 CarbonylContact O-C 3.59Å; C190-L193 WeakPolarHBondContact O-CA 3.03Å; C190-L193 WeakPolarHBondContact O-CB 3.49Å; C190-L193 PolarHBondContact O-N 2.04Å; C190-D194 VanDerWaalsContact O-CG 3.28Å; C190-D194 PolarHBondContact O-N 3.28Å; C190-C215 WeakPolarHBondContact CA-SG 3.39Å; C190-C215 HydrophobicContact CB-CB 3.67Å; C190-C215 WeakPolarHBondContact CB-SG 3.4Å; C190-C215 WeakPolarHBondContact SG-CA 3.43Å; C190-C215 WeakPolarHBondContact SG-CB 3.37Å; C190-C215 CovalentContact SG-SG 2.04Å; C190-C215 PolarHBondContact SG-SG 2.94Å |
| 191 | R | 79.8 | Confident | 71.9 | Confident | 194 Ų | 194 | 66.1 Ų | 66.1 | 73% | 0.732 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.6 | -34.3 | 174 | -176.8 | -180 | 176.6 | -164.2 | -1 | 112.7 | Q187 M188 A195 | Q187-R191 WeakPolarHBondContact O-CB 3.3Å; Q187-R191 PolarHBondContact O-N 2.82Å; Q187-R191 VanDerWaalsContact O-N 3.09Å; M188-R191 PolarHBondContact O-N 3.31Å; R191-A195 WeakPolarHBondContact O-CB 3.37Å; R191-A195 PolarHBondContact O-N 3.18Å; R191-A195 VanDerWaalsContact O-N 3.15Å |
| 192 | W | 77.8 | Confident | 70.4 | Confident | 9 Ų | 9 | 71 Ų | 71 | 3% | 0.034 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68 | -41.1 | 173 | -77 | 13.3 | 0 | 0 | 0 | 112.2 | K85 F135 E172 L174 M188 L189 C190 C196 I208 | K85-W192 HydrophobicContact CB-CD2 3.89Å; K85-W192 HydrophobicContact CB-CE3 3.8Å; K85-W192 HydrophobicContact CB-CH2 4.12Å; K85-W192 HydrophobicContact CB-CZ2 4.21Å; K85-W192 HydrophobicContact CB-CZ3 3.91Å; K85-W192 HydrophobicContact CD-CD2 4.26Å; K85-W192 HydrophobicContact CD-CG 4.19Å; F135-W192 HydrophobicContact CD1-CE3 4.44Å; F135-W192 HydrophobicContact CE1-CB 3.82Å; F135-W192 HydrophobicContact CE1-CD2 4.44Å; F135-W192 HydrophobicContact CE1-CE3 4.37Å; F135-W192 HydrophobicContact CE1-CG 4.24Å; F135-W192 WeakPolarHBondContact CZ-O 3.41Å; E172-W192 HydrophobicContact CB-CH2 3.91Å; E172-W192 HydrophobicContact CB-CZ2 3.45Å; E172-W192 VanDerWaalsContact CB-CZ2 3.45Å; E172-W192 HydrophobicContact CG-CZ2 4.46Å; E172-W192 WeakPolarHBondContact O-CH2 3.35Å; E172-W192 WeakPolarHBondContact OE2-CZ2 3.35Å; E172-W192 PolarHBondContact OE2-NE1 3.48Å; L174-W192 HydrophobicContact CB-CH2 3.9Å; L174-W192 HydrophobicContact CB-CZ3 4.24Å; M188-W192 WeakPolarHBondContact O-CB 2.94Å; M188-W192 VanDerWaalsContact O-CD1 3.29Å; M188-W192 PolarHBondContact O-N 3.26Å; L189-W192 HydrophobicContact CD1-CE3 4.36Å; L189-W192 WeakPolarHBondContact O-CB 2.95Å; L189-W192 PolarHBondContact O-N 3.4Å; C190-W192 PolarHBondContact O-N 2.83Å; W192-C196 VanDerWaalsContact O-CB 3.24Å; W192-C196 WeakPolarHBondContact O-CB 3.48Å; W192-C196 PolarHBondContact O-N 2.88Å; W192-I208 HydrophobicContact CB-CD1 4Å |
| 193 | L | 74.6 | Confident | 68.7 | Low | 33 Ų | 33 | 71.3 Ų | 71.3 | 17% | 0.173 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 173.8 | -179.1 | 61.5 | 0 | 0 | 0 | 111.6 | L189 C190 A195 C196 L197 I208 | L189-L193 PolarHBondContact O-N 3.09Å; C190-L193 CarbonylContact O-C 3.59Å; C190-L193 WeakPolarHBondContact O-CA 3.03Å; C190-L193 WeakPolarHBondContact O-CB 3.49Å; C190-L193 PolarHBondContact O-N 2.04Å; L193-A195 PolarHBondContact O-N 2.83Å; L193-C196 VanDerWaalsContact O-CB 3.31Å; L193-C196 WeakPolarHBondContact O-CB 3.42Å; L193-C196 PolarHBondContact O-N 2.86Å; L193-L197 HydrophobicContact CD1-CD1 4.12Å; L193-L197 HydrophobicContact CD1-CG 4.13Å; L193-L197 HydrophobicContact CG-CD1 3.99Å; L193-L197 HydrophobicContact CG-CG 4.4Å; L193-L197 WeakPolarHBondContact O-CB 3.3Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.2Å; L193-L197 PolarHBondContact O-N 3.02Å; L193-I208 HydrophobicContact CB-CD1 4.18Å; L193-I208 HydrophobicContact CD1-CB 4.16Å; L193-I208 HydrophobicContact CD1-CG1 4.22Å |
| 194 | D | 71.9 | Confident | 67.6 | Low | 91 Ų | 91 | 67.7 Ų | 67.7 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 177.5 | -61.2 | -34.9 | 0 | 0 | 0 | 111.4 | C190 C196 L197 A198 | C190-D194 VanDerWaalsContact O-CG 3.28Å; C190-D194 PolarHBondContact O-N 3.28Å; D194-C196 VanDerWaalsContact C-N 3.33Å; D194-C196 PolarHBondContact O-N 2.85Å; D194-L197 PolarHBondContact O-N 2.93Å; D194-A198 VanDerWaalsContact O-CB 3.31Å; D194-A198 WeakPolarHBondContact O-CB 3.31Å; D194-A198 PolarHBondContact O-N 3.43Å |
| 195 | A | 68 | Low | 66.7 | Low | 47 Ų | 47 | 68.2 Ų | 68.2 | 39% | 0.388 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | R191 L193 G199 | R191-A195 WeakPolarHBondContact O-CB 3.37Å; R191-A195 PolarHBondContact O-N 3.18Å; R191-A195 VanDerWaalsContact O-N 3.15Å; L193-A195 PolarHBondContact O-N 2.83Å; A195-G199 PolarHBondContact O-N 2.04Å; A195-G199 VanDerWaalsContact O-N 3.16Å |
| 196 | C | 67.8 | Low | 65.9 | Low | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.007 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.8 | -48.4 | 173.9 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | F135 W192 L193 D194 G199 S200 C206 G207 | F135-C196 HydrophobicContact CD2-CB 4.04Å; F135-C196 HydrophobicContact CE2-CB 3.41Å; F135-C196 VanDerWaalsContact CE2-CB 3.41Å; F135-C196 HydrophobicContact CZ-CB 3.77Å; W192-C196 VanDerWaalsContact O-CB 3.24Å; W192-C196 WeakPolarHBondContact O-CB 3.48Å; W192-C196 PolarHBondContact O-N 2.88Å; L193-C196 VanDerWaalsContact O-CB 3.31Å; L193-C196 WeakPolarHBondContact O-CB 3.42Å; L193-C196 PolarHBondContact O-N 2.86Å; D194-C196 VanDerWaalsContact C-N 3.33Å; D194-C196 PolarHBondContact O-N 2.85Å; C196-G199 PolarHBondContact O-N 2.92Å; C196-S200 WeakPolarHBondContact O-CB 3.43Å; C196-S200 PolarHBondContact O-N 2.99Å; C196-S200 VanDerWaalsContact O-N 3.09Å; C196-C206 WeakPolarHBondContact CA-SG 3.37Å; C196-C206 HydrophobicContact CB-CB 4.19Å; C196-C206 WeakPolarHBondContact CB-SG 3.48Å; C196-C206 VanDerWaalsContact O-CB 3.29Å; C196-C206 WeakPolarHBondContact O-CB 3.01Å; C196-C206 WeakPolarHBondContact SG-CB 3.39Å; C196-C206 CovalentContact SG-SG 2.04Å; C196-C206 PolarHBondContact SG-SG 2.94Å; C196-G207 VanDerWaalsContact SG-CA 3.59Å; C196-G207 PolarHBondContact SG-N 3.05Å |
| 197 | L | 68.3 | Low | 65 | Low | 95 Ų | 95 | 70.4 Ų | 70.4 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 179 | -67.6 | 174.2 | 0 | 0 | 0 | 112.3 | L193 D194 G199 S200 | L193-L197 HydrophobicContact CD1-CD1 4.12Å; L193-L197 HydrophobicContact CD1-CG 4.13Å; L193-L197 HydrophobicContact CG-CD1 3.99Å; L193-L197 HydrophobicContact CG-CG 4.4Å; L193-L197 WeakPolarHBondContact O-CB 3.3Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.2Å; L193-L197 PolarHBondContact O-N 3.02Å; D194-L197 PolarHBondContact O-N 2.93Å; L197-G199 VanDerWaalsContact C-N 3.3Å; L197-G199 PolarHBondContact O-N 3.15Å; L197-S200 WeakPolarHBondContact O-CB 3.12Å; L197-S200 PolarHBondContact O-N 2.85Å; L197-S200 VanDerWaalsContact O-N 3.12Å |
| 198 | A | 64.3 | Low | 64 | Low | 91 Ų | 91 | 65.3 Ų | 65.3 | 75% | 0.752 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.7 | -31.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D194 | D194-A198 VanDerWaalsContact O-CB 3.31Å; D194-A198 WeakPolarHBondContact O-CB 3.31Å; D194-A198 PolarHBondContact O-N 3.43Å |
| 199 | G | 56.4 | Low | 62.7 | Low | 54 Ų | 54 | 67.4 Ų | 67.4 | 56% | 0.557 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -85.8 | -9.3 | 173 | 0 | 0 | 0 | 0 | 0 | 114.8 | A195 C196 L197 | A195-G199 PolarHBondContact O-N 2.04Å; A195-G199 VanDerWaalsContact O-N 3.16Å; C196-G199 PolarHBondContact O-N 2.92Å; L197-G199 VanDerWaalsContact C-N 3.3Å; L197-G199 PolarHBondContact O-N 3.15Å |
| 200 | S | 55.5 | Low | 61.6 | Low | 45 Ų | 45 | 74.1 Ų | 74.1 | 32% | 0.315 | 43% | 0.425 | S | S | . | . | trans | -70.7 | 132.6 | -172.4 | -168 | 0 | 0 | 0 | 0 | 111.8 | C196 L197 P205 C206 | C196-S200 WeakPolarHBondContact O-CB 3.43Å; C196-S200 PolarHBondContact O-N 2.99Å; C196-S200 VanDerWaalsContact O-N 3.09Å; L197-S200 WeakPolarHBondContact O-CB 3.12Å; L197-S200 PolarHBondContact O-N 2.85Å; L197-S200 VanDerWaalsContact O-N 3.12Å; S200-P205 WeakPolarHBondContact OG-CA 3.3Å; S200-C206 PolarHBondContact OG-N 2.95Å | ||
| 201 | R | 51.5 | Low | 61 | Low | 184 Ų | 184 | 75.3 Ų | 75.3 | 69% | 0.694 | 43% | 0.432 | S | S | * | . | B | Isolated β-bridge | trans | -125.7 | 160 | 177.1 | -65.3 | -177.4 | 178.2 | -172.2 | -1.5 | 110.1 | S203 H204 | R201-S203 PolarHBondContact O-N 3.47Å; R201-S203 VanDerWaalsContact O-N 3.14Å; R201-H204 PolarHBondContact N-O 3.2Å; R201-H204 VanDerWaalsContact N-O 3.14Å; R201-H204 CarbonylContact O-C 3.6Å; R201-H204 PolarHBondContact O-N 3.33Å |
| 202 | S | 51.1 | Low | 60.5 | Low | 133 Ų | 133 | 68.1 Ų | 68.1 | 93% | 0.93 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -30.9 | 177 | 52.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 203 | S | 43.9 | Very low | 60.3 | Low | 80 Ų | 80 | 68.2 Ų | 68.2 | 56% | 0.559 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -23.6 | 174.8 | 50.7 | 0 | 0 | 0 | 0 | 114.5 | R201 | R201-S203 PolarHBondContact O-N 3.47Å; R201-S203 VanDerWaalsContact O-N 3.14Å |
| 204 | H | 50.4 | Low | 60.3 | Low | 79 Ų | 79 | 71.3 Ų | 71.3 | 37% | 0.366 | 44% | 0.443 | S | S | . | . | B | Isolated β-bridge | trans | -138.9 | 75.2 | -176.6 | -59.6 | 89.8 | 0 | 0 | 0 | 109.1 | S130 R201 C206 | S130-H204 VanDerWaalsContact CB-NE2 3.26Å; S130-H204 WeakPolarHBondContact CB-NE2 3Å; S130-H204 PolarHBondContact OG-CD2 3.44Å; S130-H204 PolarHBondContact OG-NE2 2.94Å; R201-H204 PolarHBondContact N-O 3.2Å; R201-H204 VanDerWaalsContact N-O 3.14Å; R201-H204 CarbonylContact O-C 3.6Å; R201-H204 PolarHBondContact O-N 3.33Å; H204-C206 PolarHBondContact O-N 3.35Å |
| 205 | P | 52.7 | Low | 60 | Low | 71 Ų | 71 | 68.9 Ų | 68.9 | 46% | 0.461 | 43% | 0.433 | S | S | . | . | trans | -72 | 123.7 | -179 | 28.6 | -34 | 0 | 0 | 0 | 110.4 | S200 | S200-P205 WeakPolarHBondContact OG-CA 3.3Š| ||
| 206 | C | 59.1 | Low | 59.4 | Low | 34 Ų | 34 | 73.5 Ų | 73.5 | 23% | 0.23 | 45% | 0.45 | C | S | . | . | trans | -101.6 | 140.3 | 175.8 | -168.9 | 0 | 0 | 0 | 0 | 110.6 | F135 C196 S200 H204 | F135-C206 VanDerWaalsContact CD2-SG 3.54Å; F135-C206 VanDerWaalsContact CE2-SG 3.55Å; C196-C206 WeakPolarHBondContact CA-SG 3.37Å; C196-C206 HydrophobicContact CB-CB 4.19Å; C196-C206 WeakPolarHBondContact CB-SG 3.48Å; C196-C206 VanDerWaalsContact O-CB 3.29Å; C196-C206 WeakPolarHBondContact O-CB 3.01Å; C196-C206 WeakPolarHBondContact SG-CB 3.39Å; C196-C206 CovalentContact SG-SG 2.04Å; C196-C206 PolarHBondContact SG-SG 2.94Å; S200-C206 PolarHBondContact OG-N 2.95Å; H204-C206 PolarHBondContact O-N 3.35Å | ||
| 207 | G | 57.6 | Low | 58.5 | Low | 36 Ų | 36 | 76.3 Ų | 76.3 | 37% | 0.371 | 48% | 0.479 | S | S | . | . | trans | -164.3 | 151.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | C196 | C196-G207 VanDerWaalsContact SG-CA 3.59Å; C196-G207 PolarHBondContact SG-N 3.05Å | ||
| 208 | I | 59 | Low | 57.2 | Low | 21 Ų | 21 | 75.7 Ų | 75.7 | 11% | 0.108 | 50% | 0.496 | C | S | . | . | trans | -109.6 | 112.6 | 173.1 | -51.7 | 179.9 | 0 | 0 | 0 | 107.9 | Y83 F135 L189 W192 L193 | Y83-I208 HydrophobicContact CD1-CG2 3.84Å; Y83-I208 HydrophobicContact CE1-CG2 3.8Å; F135-I208 HydrophobicContact CB-CG1 4.14Å; F135-I208 HydrophobicContact CD1-CD1 3.65Å; F135-I208 HydrophobicContact CD1-CG1 4.04Å; F135-I208 HydrophobicContact CE1-CD1 3.99Å; F135-I208 HydrophobicContact CG-CD1 4.15Å; F135-I208 HydrophobicContact CG-CG1 4.01Å; L189-I208 HydrophobicContact CD1-CD1 4.12Å; L189-I208 HydrophobicContact CD1-CG2 4.17Å; W192-I208 HydrophobicContact CB-CD1 4Å; L193-I208 HydrophobicContact CB-CD1 4.18Å; L193-I208 HydrophobicContact CD1-CB 4.16Å; L193-I208 HydrophobicContact CD1-CG1 4.22Å | ||
| 209 | M | 51.4 | Low | 55.6 | Low | 100 Ų | 100 | 76.3 Ų | 76.3 | 49% | 0.493 | 49% | 0.486 | S | S | . | . | trans | -80.4 | 152.3 | -176.6 | -62.7 | -59.3 | -69.8 | 0 | 0 | 111.9 | Q137 T211 | Q137-M209 PolarHBondContact OE1-O 2.87Å; M209-T211 VanDerWaalsContact C-N 3.27Å; M209-T211 PolarHBondContact O-N 2.87Å; M209-T211 VanDerWaalsContact O-N 3.09Å | ||
| 210 | Q | 54.4 | Low | 54.9 | Low | 142 Ų | 142 | 80.4 Ų | 80.4 | 66% | 0.664 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 50.8 | 39 | 165.6 | -60.4 | 178.6 | -2.8 | 0 | 0 | 115.2 | Y83 | Y83-Q210 PolarHBondContact OH-O 2.66Å; Y83-Q210 VanDerWaalsContact OH-O 3.07Å |
| 211 | T | 66.5 | Low | 53.7 | Low | 41 Ų | 41 | 81.2 Ų | 81.2 | 25% | 0.252 | 52% | 0.516 | S | S | . | . | trans | -61.8 | 131.2 | 170.3 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | L189 M209 C213 | L189-T211 VanDerWaalsContact CD2-OG1 3.26Å; L189-T211 WeakPolarHBondContact CD2-OG1 3.49Å; M209-T211 VanDerWaalsContact C-N 3.27Å; M209-T211 PolarHBondContact O-N 2.87Å; M209-T211 VanDerWaalsContact O-N 3.09Å; T211-C213 PolarHBondContact O-N 2.88Å; T211-C213 WeakPolarHBondContact OG1-CB 3.42Å; T211-C213 PolarHBondContact OG1-N 2.88Å; T211-C213 VanDerWaalsContact OG1-N 3.08Å; T211-C213 PolarHBondContact OG1-O 3.39Å | ||
| 212 | P | 68.7 | Low | 52.8 | Low | 44 Ų | 44 | 79.8 Ų | 79.8 | 29% | 0.286 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -76.1 | 2.5 | 172.4 | 33.6 | -36.5 | 0 | 0 | 0 | 112.7 | Y83 V176 G177 P181 | Y83-P212 WeakPolarHBondContact OH-CD 3.2Å; V176-P212 HydrophobicContact CG1-CG 3.54Å; G177-P212 WeakPolarHBondContact O-CG 3.46Å; P181-P212 HydrophobicContact CB-CG 4.33Å; P181-P212 HydrophobicContact CG-CB 4.32Å; P181-P212 HydrophobicContact CG-CG 4.39Å |
| 213 | C | 73.1 | Confident | 52.3 | Low | 10 Ų | 10 | 79.2 Ų | 79.2 | 7% | 0.068 | 52% | 0.515 | C | S | . | . | S | Bend | trans | -106.2 | 131.4 | -175.5 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | C186 T211 C215 | C186-C213 WeakPolarHBondContact CA-SG 3.36Å; C186-C213 HydrophobicContact CB-CB 3.48Å; C186-C213 VanDerWaalsContact CB-CB 3.48Å; C186-C213 WeakPolarHBondContact CB-SG 3.49Å; C186-C213 WeakPolarHBondContact SG-CB 3.45Å; C186-C213 CovalentContact SG-SG 2.04Å; C186-C213 PolarHBondContact SG-SG 2.82Å; T211-C213 PolarHBondContact O-N 2.88Å; T211-C213 WeakPolarHBondContact OG1-CB 3.42Å; T211-C213 PolarHBondContact OG1-N 2.88Å; T211-C213 VanDerWaalsContact OG1-N 3.08Å; T211-C213 PolarHBondContact OG1-O 3.39Å; C213-C215 PolarHBondContact O-N 3.04Å |
| 214 | A | 75.3 | Confident | 51.8 | Low | 98 Ų | 98 | 79.8 Ų | 79.8 | 81% | 0.81 | 52% | 0.524 | S | S | * | . | trans | -78.9 | 105.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L216 | A214-L216 PolarHBondContact O-N 2.93Š| ||
| 215 | C | 65.4 | Low | 51 | Low | 41 Ų | 41 | 81.6 Ų | 81.6 | 28% | 0.277 | 55% | 0.546 | S | S | . | . | trans | -82.8 | 110.4 | 175 | -57.8 | 0 | 0 | 0 | 0 | 109.5 | C190 C213 G217 | C190-C215 WeakPolarHBondContact CA-SG 3.39Å; C190-C215 HydrophobicContact CB-CB 3.67Å; C190-C215 WeakPolarHBondContact CB-SG 3.4Å; C190-C215 WeakPolarHBondContact SG-CA 3.43Å; C190-C215 WeakPolarHBondContact SG-CB 3.37Å; C190-C215 CovalentContact SG-SG 2.04Å; C190-C215 PolarHBondContact SG-SG 2.94Å; C213-C215 PolarHBondContact O-N 3.04Å; C215-G217 PolarHBondContact O-N 2.92Å | ||
| 216 | L | 54.6 | Low | 50 | Low | 144 Ų | 144 | 84 Ų | 84 | 75% | 0.754 | 57% | 0.565 | S | S | * | * | trans | -71.4 | 112.5 | 170.4 | -66.3 | 171.6 | 0 | 0 | 0 | 108.2 | A214 G218 | A214-L216 PolarHBondContact O-N 2.93Å; L216-G218 PolarHBondContact O-N 3.1Å | ||
| 217 | G | 48.8 | Very low | 49.7 | Very low | 59 Ų | 59 | 87.7 Ų | 87.7 | 61% | 0.608 | 59% | 0.588 | S | S | * | * | trans | -52.5 | 129.5 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | C215 D219 | C215-G217 PolarHBondContact O-N 2.92Å; G217-D219 PolarHBondContact O-N 3.01Å | ||
| 218 | G | 40.8 | Very low | 48.4 | Very low | 83 Ų | 83 | 93.7 Ų | 93.7 | 86% | 0.856 | 61% | 0.611 | S | S | * | * | trans | -53.3 | 107.7 | -162.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L216 | L216-G218 PolarHBondContact O-N 3.1Š| ||
| 219 | D | 32.1 | Very low | 47.3 | Very low | 103 Ų | 103 | 98.7 Ų | 98.7 | 55% | 0.551 | 64% | 0.642 | S | S | * | * | trans | -95.5 | 126.7 | 176.3 | -136.9 | 37.2 | 0 | 0 | 0 | 108.6 | G217 G221 R333 | G217-D219 PolarHBondContact O-N 3.01Å; D219-G221 PolarHBondContact O-N 3.41Å; D219-R333 IonicContact OD1-CZ 3.48Å; D219-R333 IonicContact OD1-NH1 2.66Å; D219-R333 PolarHBondContact OD1-NH1 3.25Å; D219-R333 IonicContact OD1-NH2 2.83Å; D219-R333 PolarHBondContact OD1-NH2 3.34Å; D219-R333 IonicContact OD2-CZ 3.97Å; D219-R333 IonicContact OD2-NH1 2.87Å; D219-R333 PolarHBondContact OD2-NH1 3.17Å; D219-R333 IonicContact OD2-NH2 2.72Å; D219-R333 PolarHBondContact OD2-NH2 3.42Å | ||
| 220 | V | 40.9 | Very low | 47 | Very low | 140 Ų | 140 | 98.7 Ų | 98.7 | 85% | 0.848 | 65% | 0.65 | S | S | * | * | trans | -66.1 | 117.5 | 172.5 | 175.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 221 | G | 31.3 | Very low | 46.1 | Very low | 63 Ų | 63 | 102.4 Ų | 102.4 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | trans | -107.8 | 143.3 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | D219 | D219-G221 PolarHBondContact O-N 3.41Š| ||
| 222 | D | 31.2 | Very low | 44.4 | Very low | 154 Ų | 154 | 103.6 Ų | 103.6 | 82% | 0.824 | 68% | 0.678 | S | S | * | * | cis | -152.7 | 166.4 | -5.2 | -118.8 | -30.7 | 0 | 0 | 0 | 107.7 | ||||
| 223 | P | 41.3 | Very low | 42.8 | Very low | 120 Ų | 120 | 108 Ų | 108 | 78% | 0.779 | 70% | 0.699 | S | S | * | * | trans | -87.8 | 129.1 | -169.1 | 33 | -33.2 | 0 | 0 | 0 | 113.7 | ||||
| 224 | A | 32.9 | Very low | 41 | Very low | 92 Ų | 92 | 113.5 Ų | 113.5 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | trans | -148.5 | 131.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 225 | S | 33.5 | Very low | 39.1 | Very low | 118 Ų | 118 | 115.3 Ų | 115.3 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 77 | 110.3 | 167.3 | 68.3 | 0 | 0 | 0 | 0 | 120.8 | ||
| 226 | S | 31.4 | Very low | 37.5 | Very low | 122 Ų | 122 | 121.2 Ų | 121.2 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | 86.5 | 150.4 | 146.8 | -73.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 227 | P | 53 | Low | 36.7 | Very low | 110 Ų | 110 | 124.6 Ų | 124.6 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | trans | -122.4 | 171.4 | -150.2 | 41 | -27.2 | 0 | 0 | 0 | 115.3 | ||||
| 228 | L | 31 | Very low | 35.9 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | 167.8 | 96.5 | 143.2 | -89 | 153.4 | 0 | 0 | 0 | 112.9 | ||||
| 229 | V | 35.5 | Very low | 35.6 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | 40.2 | 143.1 | 117 | 170.1 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 230 | P | 46.1 | Very low | 35.5 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | cis | -152.7 | -166.3 | -25.1 | 44.5 | -23.3 | 0 | 0 | 0 | 117.8 | ||||
| 231 | R | 34.7 | Very low | 35.5 | Very low | 219 Ų | 219 | 128.8 Ų | 128.8 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | 74.9 | 139.1 | 160.2 | -57.4 | -85.8 | 169.3 | 118.5 | 2.1 | 117 | D233 | R231-D233 WeakPolarHBondContact CD-OD2 3.26Š| ||
| 232 | G | 31.3 | Very low | 35.5 | Very low | 67 Ų | 67 | 129.6 Ų | 129.6 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | cis | 170.8 | 172 | 2.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 233 | D | 34.7 | Very low | 35.7 | Very low | 135 Ų | 135 | 124.8 Ų | 124.8 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | -150.7 | -140.3 | -10.1 | -81.2 | -42.8 | 0 | 0 | 0 | 108.4 | R231 | R231-D233 WeakPolarHBondContact CD-OD2 3.26Š| ||
| 234 | V | 35.9 | Very low | 35.9 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -125.6 | 147.5 | -159.7 | 174.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 235 | C | 34.1 | Very low | 36.5 | Very low | 135 Ų | 135 | 127.1 Ų | 127.1 | 91% | 0.912 | 78% | 0.777 | S | S | * | * | trans | -108.6 | 122 | 159.3 | -72.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 236 | L | 33.4 | Very low | 37.2 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -90 | 146.4 | -175.2 | -168.5 | 67 | 0 | 0 | 0 | 111.7 | ||||
| 237 | R | 36.3 | Very low | 37.5 | Very low | 215 Ų | 215 | 128.9 Ų | 128.9 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -102.7 | 136.2 | 174.5 | 165.7 | -176.1 | 169.4 | 170.4 | -0.4 | 109.9 | ||||
| 238 | D | 33.6 | Very low | 37 | Very low | 158 Ų | 158 | 130.7 Ų | 130.7 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | 178.1 | 142.6 | 145.9 | -84.4 | -30.1 | 0 | 0 | 0 | 106.6 | ||||
| 239 | G | 32.4 | Very low | 37.2 | Very low | 64 Ų | 64 | 129.1 Ų | 129.1 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | cis | -179.9 | 159.4 | -7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 240 | V | 31.5 | Very low | 37.2 | Very low | 149 Ų | 149 | 128 Ų | 128 | 90% | 0.903 | 78% | 0.775 | S | S | * | * | trans | 82.3 | 104.3 | 175.4 | -171.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 241 | A | 41.4 | Very low | 37.1 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | 35.4 | 104.1 | 142.4 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 242 | G | 30.1 | Very low | 37.7 | Very low | 79 Ų | 79 | 126.6 Ų | 126.6 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | 155.4 | 115.1 | 147.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 243 | G | 35.2 | Very low | 38 | Very low | 53 Ų | 53 | 130.8 Ų | 130.8 | 55% | 0.546 | 79% | 0.785 | S | S | . | * | trans | 67.2 | 131.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | E245 | G243-E245 VanDerWaalsContact C-N 3.31Å; G243-E245 VanDerWaalsContact C-OE1 3.28Å; G243-E245 WeakPolarHBondContact CA-OE1 3.27Å; G243-E245 PolarHBondContact O-N 3.14Å | ||
| 244 | P | 46.2 | Very low | 38.7 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -88.4 | 51.7 | 178.9 | 39.3 | -37.1 | 0 | 0 | 0 | 113.6 | ||
| 245 | E | 45.7 | Very low | 38.9 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 62% | 0.617 | 79% | 0.791 | S | S | * | * | trans | -128.6 | 144.6 | 176.3 | 29.9 | -75.9 | 146.4 | 0 | 0 | 112.6 | G243 | G243-E245 VanDerWaalsContact C-N 3.31Å; G243-E245 VanDerWaalsContact C-OE1 3.28Å; G243-E245 WeakPolarHBondContact CA-OE1 3.27Å; G243-E245 PolarHBondContact O-N 3.14Å | ||
| 246 | N | 47.3 | Very low | 39.4 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | 84.4 | 52 | 175.1 | -46.5 | -44.7 | 0 | 0 | 0 | 118.5 | ||||
| 247 | C | 38.1 | Very low | 39.6 | Very low | 134 Ų | 134 | 129 Ų | 129 | 91% | 0.905 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -119 | 44.9 | 141.1 | -158.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 248 | L | 42.9 | Very low | 40.1 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | -157.7 | 65.4 | -178.2 | -127.4 | 173.4 | 0 | 0 | 0 | 114.2 | ||||
| 249 | T | 34.4 | Very low | 40.5 | Very low | 129 Ų | 129 | 124.1 Ų | 124.1 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -143.8 | 92.5 | 159.9 | 42.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 250 | S | 35.6 | Very low | 41.4 | Very low | 102 Ų | 102 | 124 Ų | 124 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | -165.5 | 80.9 | 123.7 | -161.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 251 | L | 45.2 | Very low | 42.3 | Very low | 154 Ų | 154 | 121.5 Ų | 121.5 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | -84.1 | 145.5 | 144.4 | -77.3 | 169.7 | 0 | 0 | 0 | 106.6 | ||||
| 252 | T | 45.4 | Very low | 43.3 | Very low | 137 Ų | 137 | 118 Ų | 118 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | trans | 66.2 | 77.2 | -179.3 | 73.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 253 | Q | 38.1 | Very low | 45 | Very low | 155 Ų | 155 | 115.7 Ų | 115.7 | 72% | 0.724 | 72% | 0.716 | S | S | * | * | trans | -119.1 | 93.3 | 130.1 | -173.7 | 85.6 | 65.1 | 0 | 0 | 107.4 | R255 | Q253-R255 PolarHBondContact O-N 3.48Š| ||
| 254 | D | 49.2 | Very low | 46.6 | Very low | 147 Ų | 147 | 116.3 Ų | 116.3 | 79% | 0.786 | 70% | 0.702 | S | S | * | * | trans | -71.2 | 117.2 | 170.1 | -166.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 255 | R | 39.8 | Very low | 47.9 | Very low | 222 Ų | 222 | 115.7 Ų | 115.7 | 84% | 0.838 | 69% | 0.686 | S | S | * | * | trans | -149.2 | 111.6 | 164.1 | -116.3 | -179.7 | 177 | 144.5 | 1.7 | 107.4 | Q253 G257 | Q253-R255 PolarHBondContact O-N 3.48Å; R255-G257 PolarHBondContact O-N 2.94Å | ||
| 256 | G | 45.3 | Very low | 49.1 | Very low | 83 Ų | 83 | 117.2 Ų | 117.2 | 86% | 0.856 | 70% | 0.698 | S | S | * | * | trans | -53.1 | 129.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 257 | G | 38.9 | Very low | 50.3 | Low | 72 Ų | 72 | 113.3 Ų | 113.3 | 74% | 0.742 | 67% | 0.672 | S | S | * | * | trans | -175.6 | 63.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R255 | R255-G257 PolarHBondContact O-N 2.94Š| ||
| 258 | H | 46.5 | Very low | 51.5 | Low | 200 Ų | 200 | 109.3 Ų | 109.3 | 93% | 0.926 | 65% | 0.646 | S | S | * | * | trans | 31.7 | 100 | 157.3 | -171.2 | 57.4 | 0 | 0 | 0 | 118.2 | ||||
| 259 | G | 41 | Very low | 52.9 | Low | 71 Ų | 71 | 110 Ų | 110 | 73% | 0.732 | 65% | 0.65 | S | S | * | * | trans | 170.7 | 105.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 260 | S | 51.5 | Low | 54.7 | Low | 63 Ų | 63 | 106.9 Ų | 106.9 | 44% | 0.441 | 62% | 0.623 | S | S | . | * | trans | -66.9 | 126 | 171 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | L292 | S260-L292 WeakPolarHBondContact CB-O 3.15Å; S260-L292 PolarHBondContact OG-N 3.31Å; S260-L292 PolarHBondContact OG-O 3.21Å | ||
| 261 | A | 51.3 | Low | 56.3 | Low | 95 Ų | 95 | 103 Ų | 103 | 79% | 0.785 | 60% | 0.6 | S | S | * | * | trans | -119.6 | 86.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 262 | G | 60.7 | Low | 57.4 | Low | 29 Ų | 29 | 101.2 Ų | 101.2 | 30% | 0.299 | 59% | 0.588 | S | S | . | * | trans | -87.3 | 163.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L289 | G262-L289 CarbonylContact C-O 3.51Å; G262-L289 VanDerWaalsContact CA-O 3.26Å; G262-L289 WeakPolarHBondContact CA-O 3.16Å | ||
| 263 | G | 66.9 | Low | 58.6 | Low | 30 Ų | 30 | 95.4 Ų | 95.4 | 31% | 0.309 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 151.8 | 176.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K265 L289 C299 | G263-K265 PolarHBondContact O-N 2.94Å; G263-L289 PolarHBondContact N-O 2.75Å; G263-L289 PolarHBondContact O-N 2.98Å; G263-C299 PolarHBondContact O-SG 2.77Å; G263-C299 VanDerWaalsContact O-SG 3.36Å |
| 264 | W | 68.3 | Low | 60 | Low | 67 Ų | 67 | 89 Ų | 89 | 25% | 0.254 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 130.4 | 175.6 | -77 | 116.7 | 0 | 0 | 0 | 111.2 | R286 C288 C299 E300 G301 L303 | W264-R286 HydrophobicContact CD2-CG 4.21Å; W264-R286 HydrophobicContact CE3-CB 4.38Å; W264-R286 HydrophobicContact CE3-CG 3.57Å; W264-R286 HydrophobicContact CZ3-CG 3.82Å; W264-C288 HydrophobicContact CE3-CB 3.94Å; W264-C288 HydrophobicContact CH2-CB 4.26Å; W264-C288 HydrophobicContact CZ3-CB 3.74Å; W264-C299 HydrophobicContact CD2-CB 3.44Å; W264-C299 VanDerWaalsContact CD2-CB 3.44Å; W264-C299 HydrophobicContact CE3-CB 4.04Å; W264-C299 HydrophobicContact CG-CB 3.68Å; W264-C299 HydrophobicContact CH2-CB 4.34Å; W264-C299 HydrophobicContact CZ2-CB 3.78Å; W264-C299 WeakPolarHBondContact CZ2-O 3.47Å; W264-C299 HydrophobicContact CZ3-CB 4.45Å; W264-C299 PolarHBondContact N-SG 2.98Å; W264-C299 VanDerWaalsContact N-SG 3.45Å; W264-E300 PolarHBondContact NE1-O 2.96Å; W264-G301 WeakPolarHBondContact CZ2-O 3.25Å; W264-L303 HydrophobicContact CH2-CB 4.38Å; W264-L303 HydrophobicContact CH2-CD1 4.02Å; W264-L303 HydrophobicContact CZ3-CD1 3.84Å |
| 265 | K | 74.8 | Confident | 60.7 | Low | 115 Ų | 115 | 85.8 Ų | 85.8 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 162 | 159.6 | -67.4 | -55.1 | -156.9 | -169.8 | 0 | 110.5 | G263 T287 L289 | G263-K265 PolarHBondContact O-N 2.94Å; K265-T287 VanDerWaalsContact CB-O 3.25Å; K265-T287 WeakPolarHBondContact CB-O 3.45Å; K265-T287 WeakPolarHBondContact CG-O 3.3Å; K265-T287 PolarHBondContact N-O 3.16Å; K265-L289 HydrophobicContact CD-CD1 4.22Å; K265-L289 HydrophobicContact CD-CG 4.37Å; K265-L289 HydrophobicContact CG-CG 4.4Å; K265-L289 VanDerWaalsContact NZ-CD1 3.3Å |
| 266 | L | 70.4 | Confident | 62.4 | Low | 164 Ų | 164 | 79.8 Ų | 79.8 | 86% | 0.859 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 148.5 | 173.3 | -161.2 | 68.6 | 0 | 0 | 0 | 110.8 | ||
| 267 | W | 71.9 | Confident | 63.8 | Low | 61 Ų | 61 | 77 Ų | 77 | 23% | 0.231 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 143.8 | 173.1 | -74.3 | 106 | 0 | 0 | 0 | 112.2 | R284 T285 R286 V302 E305 | W267-R284 HydrophobicContact CD2-CG 4.36Å; W267-R284 HydrophobicContact CE3-CB 4.4Å; W267-R284 HydrophobicContact CE3-CG 3.74Å; W267-R284 HydrophobicContact CZ3-CG 4.15Å; W267-T285 VanDerWaalsContact CE3-C 3.41Å; W267-R286 HydrophobicContact CD2-CB 3.97Å; W267-R286 HydrophobicContact CD2-CG 3.94Å; W267-R286 HydrophobicContact CE3-CB 3.77Å; W267-R286 HydrophobicContact CE3-CG 3.76Å; W267-R286 HydrophobicContact CG-CB 4.43Å; W267-R286 HydrophobicContact CH2-CG 3.85Å; W267-R286 HydrophobicContact CZ2-CG 4.03Å; W267-R286 VanDerWaalsContact CZ2-NE 3.28Å; W267-R286 HydrophobicContact CZ3-CB 4.18Å; W267-R286 HydrophobicContact CZ3-CG 3.72Å; W267-V302 HydrophobicContact CH2-CG2 4.06Å; W267-V302 HydrophobicContact CZ2-CG2 4.2Å; W267-E305 HydrophobicContact CH2-CB 3.97Å; W267-E305 HydrophobicContact CZ3-CB 4.16Å |
| 268 | S | 63.8 | Low | 65.3 | Low | 50 Ų | 50 | 75.3 Ų | 75.3 | 35% | 0.35 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 163.2 | 166.2 | 77.9 | 0 | 0 | 0 | 0 | 110.9 | T285 | S268-T285 VanDerWaalsContact CB-O 3.31Å; S268-T285 WeakPolarHBondContact CB-O 3.36Å; S268-T285 PolarHBondContact N-O 3.47Å; S268-T285 PolarHBondContact OG-N 3.46Å; S268-T285 PolarHBondContact OG-O 3.15Å |
| 269 | L | 72.1 | Confident | 66.4 | Low | 164 Ų | 164 | 67 Ų | 67 | 86% | 0.859 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -59 | 154 | 161.4 | -61.4 | 177.3 | 0 | 0 | 0 | 110 | ||
| 270 | W | 73.1 | Confident | 67.7 | Low | 63 Ų | 63 | 63.8 Ų | 63.8 | 24% | 0.239 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 132.7 | 173 | -70.8 | 98.3 | 0 | 0 | 0 | 110.1 | Q282 T283 R284 E305 R307 | W270-Q282 HydrophobicContact CE3-CB 4Å; W270-Q282 WeakPolarHBondContact CZ3-O 3.43Å; W270-T283 CarbonylContact C-O 3.05Å; W270-T283 WeakPolarHBondContact CA-O 3.3Å; W270-R284 HydrophobicContact CD2-CB 4.17Å; W270-R284 HydrophobicContact CD2-CG 4.08Å; W270-R284 HydrophobicContact CE3-CB 3.98Å; W270-R284 HydrophobicContact CE3-CG 3.89Å; W270-R284 HydrophobicContact CH2-CG 3.8Å; W270-R284 HydrophobicContact CZ2-CG 4Å; W270-R284 HydrophobicContact CZ3-CB 4.27Å; W270-R284 HydrophobicContact CZ3-CG 3.74Å; W270-E305 HydrophobicContact CH2-CB 4.34Å; W270-E305 HydrophobicContact CH2-CG 3.97Å; W270-R307 HydrophobicContact CD2-CG 4.38Å; W270-R307 HydrophobicContact CE3-CG 3.86Å; W270-R307 HydrophobicContact CH2-CB 3.95Å; W270-R307 HydrophobicContact CH2-CG 3.79Å; W270-R307 HydrophobicContact CZ2-CG 4.29Å; W270-R307 HydrophobicContact CZ3-CB 4.02Å; W270-R307 HydrophobicContact CZ3-CG 3.56Å |
| 271 | G | 67.3 | Low | 68.4 | Low | 22 Ų | 22 | 63.4 Ų | 63.4 | 23% | 0.227 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 169 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q282 T283 | G271-Q282 VanDerWaalsContact O-CD 3.24Å; G271-Q282 WeakPolarHBondContact O-CG 3.39Å; G271-Q282 PolarHBondContact O-NE2 3.23Å; G271-T283 PolarHBondContact N-O 2.93Å |
| 272 | E | 68.4 | Low | 68.8 | Low | 116 Ų | 116 | 60.4 Ų | 60.4 | 54% | 0.542 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 151.7 | 174.4 | -65.7 | -176.1 | 145.5 | 0 | 0 | 111.6 | T274 R323 | E272-T274 PolarHBondContact O-N 3.13Å; E272-R323 IonicContact OE1-NH1 2.72Å; E272-R323 PolarHBondContact OE1-NH1 3.05Å; E272-R323 IonicContact OE2-CZ 2.77Å; E272-R323 IonicContact OE2-NH1 3.18Å; E272-R323 PolarHBondContact OE2-NH1 3.36Å |
| 273 | C | 71 | Confident | 69.1 | Low | 14 Ų | 14 | 60.1 Ų | 60.1 | 10% | 0.095 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 132.1 | 178.1 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | R275 Q282 C309 N310 | C273-R275 PolarHBondContact O-N 2.8Å; C273-R275 PolarHBondContact SG-O 3.33Å; C273-Q282 HydrophobicContact CB-CG 4.08Å; C273-C309 VanDerWaalsContact CA-SG 3.54Å; C273-C309 HydrophobicContact CB-CB 3.85Å; C273-C309 WeakPolarHBondContact CB-SG 3.49Å; C273-C309 WeakPolarHBondContact SG-CB 3.04Å; C273-C309 CovalentContact SG-SG 2.02Å; C273-C309 PolarHBondContact SG-SG 3.16Å; C273-N310 WeakPolarHBondContact CB-ND2 3.03Å; C273-N310 PolarHBondContact SG-ND2 2.91Å |
| 274 | T | 66.9 | Low | 69.2 | Low | 20 Ų | 20 | 61.5 Ų | 61.5 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -61.4 | -16.6 | -180 | 54 | 0 | 0 | 0 | 0 | 114.2 | E272 L281 S322 R323 Q325 L327 | E272-T274 PolarHBondContact O-N 3.13Å; T274-L281 WeakPolarHBondContact CG2-O 3.11Å; T274-L281 PolarHBondContact N-O 3.47Å; T274-L281 PolarHBondContact OG1-N 3.34Å; T274-L281 PolarHBondContact OG1-O 3Å; T274-S322 CarbonylContact O-C 3.57Å; T274-S322 WeakPolarHBondContact O-CA 3.19Å; T274-R323 WeakPolarHBondContact CA-O 3.29Å; T274-R323 WeakPolarHBondContact CB-O 3.48Å; T274-R323 VanDerWaalsContact CG2-O 3.25Å; T274-R323 WeakPolarHBondContact CG2-O 3.47Å; T274-R323 PolarHBondContact O-N 3.41Å; T274-Q325 HydrophobicContact CG2-CB 4.13Å; T274-L327 HydrophobicContact CG2-CD1 4.24Å |
| 275 | R | 65.4 | Low | 69 | Low | 80 Ų | 80 | 61.5 Ų | 61.5 | 30% | 0.302 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -145.7 | 138.8 | 179.9 | -57.9 | -179.6 | 67.8 | -148.7 | 5.3 | 111.4 | C273 C277 G278 G279 N310 S320 | C273-R275 PolarHBondContact O-N 2.8Å; C273-R275 PolarHBondContact SG-O 3.33Å; R275-C277 VanDerWaalsContact C-N 3.31Å; R275-C277 PolarHBondContact O-N 3.09Å; R275-G278 PolarHBondContact NH1-O 3.31Å; R275-G279 WeakPolarHBondContact CD-O 3.23Å; R275-G279 PolarHBondContact NH1-O 2.88Å; R275-G279 VanDerWaalsContact NH1-O 3.15Å; R275-N310 VanDerWaalsContact O-CB 3.3Å; R275-N310 WeakPolarHBondContact O-CB 3.43Å; R275-N310 PolarHBondContact O-ND2 2.85Å; R275-S320 PolarHBondContact NH2-OG 3.22Å |
| 276 | D | 74 | Confident | 68.7 | Low | 97 Ų | 97 | 58.1 Ų | 58.1 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -76.5 | -18.2 | -177.9 | -56.5 | -57.1 | 0 | 0 | 0 | 113.6 | S321 | D276-S321 WeakPolarHBondContact OD2-CB 3.2Å; D276-S321 PolarHBondContact OD2-OG 2.04Å |
| 277 | C | 76.5 | Confident | 68.6 | Low | 24 Ų | 24 | 54.7 Ų | 54.7 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -155.4 | 167.8 | 177.3 | 59.6 | 0 | 0 | 0 | 0 | 111.3 | R275 G279 N310 C314 | R275-C277 VanDerWaalsContact C-N 3.31Å; R275-C277 PolarHBondContact O-N 3.09Å; C277-G279 VanDerWaalsContact C-N 3.33Å; C277-G279 PolarHBondContact O-N 3.38Å; C277-N310 CarbonylContact C-O 3.58Å; C277-C314 HydrophobicContact CB-CB 3.97Å; C277-C314 WeakPolarHBondContact CB-SG 3.33Å; C277-C314 VanDerWaalsContact SG-CA 3.51Å; C277-C314 WeakPolarHBondContact SG-CB 3.26Å; C277-C314 CovalentContact SG-SG 2.04Å; C277-C314 PolarHBondContact SG-SG 3.45Å |
| 278 | G | 69.6 | Low | 68.7 | Low | 36 Ų | 36 | 53.8 Ų | 53.8 | 37% | 0.371 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 72.9 | 21.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R275 N310 K312 | R275-G278 PolarHBondContact NH1-O 3.31Å; G278-N310 PolarHBondContact N-O 3.18Å; G278-K312 PolarHBondContact N-O 3.43Å |
| 279 | G | 69.2 | Low | 69 | Low | 25 Ų | 25 | 55 Ų | 55 | 26% | 0.258 | 30% | 0.302 | S | S | . | . | trans | 81.2 | 107 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R275 C277 C309 N310 | R275-G279 WeakPolarHBondContact CD-O 3.23Å; R275-G279 PolarHBondContact NH1-O 2.88Å; R275-G279 VanDerWaalsContact NH1-O 3.15Å; C277-G279 VanDerWaalsContact C-N 3.33Å; C277-G279 PolarHBondContact O-N 3.38Å; G279-C309 WeakPolarHBondContact CA-O 3.31Å; G279-N310 PolarHBondContact N-O 2.81Å | ||
| 280 | G | 68.6 | Low | 68.3 | Low | 4 Ų | 4 | 51.2 Ų | 51.2 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | -173.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L308 C309 | G280-L308 WeakPolarHBondContact O-CA 3.24Å; G280-C309 PolarHBondContact N-O 2.69Å; G280-C309 PolarHBondContact O-N 3.33Å; G280-C309 PolarHBondContact O-SG 2.99Å; G280-C309 VanDerWaalsContact O-SG 3.42Å |
| 281 | L | 67.2 | Low | 67.6 | Low | 56 Ų | 56 | 49.9 Ų | 49.9 | 29% | 0.293 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 146.7 | -178 | -162.8 | 70 | 0 | 0 | 0 | 109.3 | T274 R307 L308 C309 L327 | T274-L281 WeakPolarHBondContact CG2-O 3.11Å; T274-L281 PolarHBondContact N-O 3.47Å; T274-L281 PolarHBondContact OG1-N 3.34Å; T274-L281 PolarHBondContact OG1-O 3Å; L281-R307 CarbonylContact C-O 3.6Å; L281-R307 WeakPolarHBondContact CA-O 3.48Å; L281-R307 WeakPolarHBondContact CD1-O 3Å; L281-L308 HydrophobicContact CD1-CD2 3.81Å; L281-L308 HydrophobicContact CD1-CG 4.17Å; L281-C309 VanDerWaalsContact C-SG 3.53Å; L281-C309 PolarHBondContact N-SG 3.3Å; L281-L327 HydrophobicContact CB-CD1 3.81Å; L281-L327 HydrophobicContact CD2-CB 3.49Å; L281-L327 VanDerWaalsContact CD2-CB 3.49Å; L281-L327 HydrophobicContact CD2-CD1 3.69Å; L281-L327 HydrophobicContact CD2-CD2 3.89Å; L281-L327 HydrophobicContact CD2-CG 3.82Å; L281-L327 HydrophobicContact CG-CB 4.34Å; L281-L327 HydrophobicContact CG-CD1 3.65Å; L281-L327 HydrophobicContact CG-CD2 3.9Å; L281-L327 HydrophobicContact CG-CG 4.12Å |
| 282 | Q | 59.8 | Low | 67.1 | Low | 32 Ų | 32 | 55.7 Ų | 55.7 | 15% | 0.15 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135.1 | 177.8 | -79.3 | 179.8 | -42.7 | 0 | 0 | 110.3 | W270 G271 C273 G306 R307 C309 | W270-Q282 HydrophobicContact CE3-CB 4Å; W270-Q282 WeakPolarHBondContact CZ3-O 3.43Å; G271-Q282 VanDerWaalsContact O-CD 3.24Å; G271-Q282 WeakPolarHBondContact O-CG 3.39Å; G271-Q282 PolarHBondContact O-NE2 3.23Å; C273-Q282 HydrophobicContact CB-CG 4.08Å; Q282-G306 WeakPolarHBondContact O-CA 3.38Å; Q282-R307 HydrophobicContact CB-CG 4.15Å; Q282-R307 PolarHBondContact N-O 2.72Å; Q282-R307 PolarHBondContact O-N 2.87Å; Q282-R307 VanDerWaalsContact OE1-NE 3.14Å; Q282-C309 HydrophobicContact CG-CB 4.12Å |
| 283 | T | 65.8 | Low | 66.5 | Low | 22 Ų | 22 | 54.3 Ų | 54.3 | 14% | 0.135 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 156 | 170.3 | 42.3 | 0 | 0 | 0 | 0 | 112.2 | W270 G271 E305 L327 | W270-T283 CarbonylContact C-O 3.05Å; W270-T283 WeakPolarHBondContact CA-O 3.3Å; G271-T283 PolarHBondContact N-O 2.93Å; T283-E305 CarbonylContact C-O 3.49Å; T283-E305 WeakPolarHBondContact CA-O 3.39Å; T283-L327 HydrophobicContact CG2-CD1 3.88Å; T283-L327 HydrophobicContact CG2-CD2 3.46Å; T283-L327 VanDerWaalsContact CG2-CD2 3.46Å; T283-L327 HydrophobicContact CG2-CG 3.37Å |
| 284 | R | 68.4 | Low | 65.6 | Low | 60 Ų | 60 | 57.9 Ų | 57.9 | 23% | 0.226 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 156.6 | 142.9 | 62.4 | 176.9 | 179.6 | -177.1 | -6.1 | 110 | W267 W270 E304 E305 | W267-R284 HydrophobicContact CD2-CG 4.36Å; W267-R284 HydrophobicContact CE3-CB 4.4Å; W267-R284 HydrophobicContact CE3-CG 3.74Å; W267-R284 HydrophobicContact CZ3-CG 4.15Å; W270-R284 HydrophobicContact CD2-CB 4.17Å; W270-R284 HydrophobicContact CD2-CG 4.08Å; W270-R284 HydrophobicContact CE3-CB 3.98Å; W270-R284 HydrophobicContact CE3-CG 3.89Å; W270-R284 HydrophobicContact CH2-CG 3.8Å; W270-R284 HydrophobicContact CZ2-CG 4Å; W270-R284 HydrophobicContact CZ3-CB 4.27Å; W270-R284 HydrophobicContact CZ3-CG 3.74Å; R284-E304 WeakPolarHBondContact O-CA 3.31Å; R284-E305 HydrophobicContact CG-CB 4.11Å; R284-E305 IonicContact CZ-OE2 3.48Å; R284-E305 PolarHBondContact N-O 3.16Å; R284-E305 IonicContact NE-OE2 3.44Å; R284-E305 PolarHBondContact NE-OE2 3.22Å; R284-E305 IonicContact NH2-OE1 2.72Å; R284-E305 IonicContact NH2-OE2 3.92Å; R284-E305 PolarHBondContact NH2-OE2 2.98Å; R284-E305 PolarHBondContact O-N 3.4Å |
| 285 | T | 64.2 | Low | 64.7 | Low | 66 Ų | 66 | 66.4 Ų | 66.4 | 41% | 0.405 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 159.7 | -179.4 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | W267 S268 L303 E304 | W267-T285 VanDerWaalsContact CE3-C 3.41Å; S268-T285 VanDerWaalsContact CB-O 3.31Å; S268-T285 WeakPolarHBondContact CB-O 3.36Å; S268-T285 PolarHBondContact N-O 3.47Å; S268-T285 PolarHBondContact OG-N 3.46Å; S268-T285 PolarHBondContact OG-O 3.15Å; T285-L303 CarbonylContact C-O 3.45Å; T285-L303 VanDerWaalsContact CA-O 3.31Å; T285-L303 WeakPolarHBondContact CA-O 3.31Å; T285-E304 HydrophobicContact CG2-CB 4.09Å; T285-E304 HydrophobicContact CG2-CG 3.9Å |
| 286 | R | 68.7 | Low | 64 | Low | 45 Ų | 45 | 66.6 Ų | 66.6 | 17% | 0.17 | 42% | 0.415 | C | S | . | . | trans | -137.3 | 159.1 | 170.2 | 58.6 | 175.5 | 175 | 173.5 | 3.5 | 110.3 | W264 W267 V302 L303 | W264-R286 HydrophobicContact CD2-CG 4.21Å; W264-R286 HydrophobicContact CE3-CB 4.38Å; W264-R286 HydrophobicContact CE3-CG 3.57Å; W264-R286 HydrophobicContact CZ3-CG 3.82Å; W267-R286 HydrophobicContact CD2-CB 3.97Å; W267-R286 HydrophobicContact CD2-CG 3.94Å; W267-R286 HydrophobicContact CE3-CB 3.77Å; W267-R286 HydrophobicContact CE3-CG 3.76Å; W267-R286 HydrophobicContact CG-CB 4.43Å; W267-R286 HydrophobicContact CH2-CG 3.85Å; W267-R286 HydrophobicContact CZ2-CG 4.03Å; W267-R286 VanDerWaalsContact CZ2-NE 3.28Å; W267-R286 HydrophobicContact CZ3-CB 4.18Å; W267-R286 HydrophobicContact CZ3-CG 3.72Å; R286-V302 VanDerWaalsContact CZ-O 3.3Å; R286-V302 PolarHBondContact NE-O 2.83Å; R286-V302 PolarHBondContact NH2-O 2.67Å; R286-L303 PolarHBondContact N-O 3.12Å; R286-L303 WeakPolarHBondContact O-CD1 3.19Å | ||
| 287 | T | 69.4 | Low | 62.8 | Low | 92 Ų | 92 | 62.8 Ų | 62.8 | 56% | 0.564 | 40% | 0.399 | S | S | * | . | trans | -108.9 | 136.3 | -178.2 | -48.1 | 0 | 0 | 0 | 0 | 110.4 | K265 | K265-T287 VanDerWaalsContact CB-O 3.25Å; K265-T287 WeakPolarHBondContact CB-O 3.45Å; K265-T287 WeakPolarHBondContact CG-O 3.3Å; K265-T287 PolarHBondContact N-O 3.16Å | ||
| 288 | C | 73.8 | Confident | 61.9 | Low | 42 Ų | 42 | 64.4 Ų | 64.4 | 28% | 0.284 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 132.7 | 170.2 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | W264 C299 | W264-C288 HydrophobicContact CE3-CB 3.94Å; W264-C288 HydrophobicContact CH2-CB 4.26Å; W264-C288 HydrophobicContact CZ3-CB 3.74Å; C288-C299 WeakPolarHBondContact CA-SG 3.2Å; C288-C299 HydrophobicContact CB-CB 3.67Å; C288-C299 WeakPolarHBondContact CB-SG 3.48Å; C288-C299 WeakPolarHBondContact SG-CB 3.31Å; C288-C299 PolarHBondContact SG-N 2.99Å; C288-C299 CovalentContact SG-SG 2.03Å; C288-C299 PolarHBondContact SG-SG 3.14Å |
| 289 | L | 69.4 | Low | 61.5 | Low | 74 Ų | 74 | 63.9 Ų | 63.9 | 39% | 0.387 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.9 | 160.5 | -75.8 | -173.7 | 0 | 0 | 0 | 109.4 | G262 G263 K265 | G262-L289 CarbonylContact C-O 3.51Å; G262-L289 VanDerWaalsContact CA-O 3.26Å; G262-L289 WeakPolarHBondContact CA-O 3.16Å; G263-L289 PolarHBondContact N-O 2.75Å; G263-L289 PolarHBondContact O-N 2.98Å; K265-L289 HydrophobicContact CD-CD1 4.22Å; K265-L289 HydrophobicContact CD-CG 4.37Å; K265-L289 HydrophobicContact CG-CG 4.4Å; K265-L289 VanDerWaalsContact NZ-CD1 3.3Å |
| 290 | P | 57.6 | Low | 61 | Low | 86 Ų | 86 | 71.6 Ų | 71.6 | 56% | 0.558 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 144.9 | 174.5 | 29.5 | -33.9 | 0 | 0 | 0 | 111.4 | L292 | P290-L292 PolarHBondContact O-N 2.77Š|
| 291 | T | 57.8 | Low | 60.3 | Low | 34 Ų | 34 | 74.1 Ų | 74.1 | 21% | 0.209 | 47% | 0.465 | C | S | . | . | trans | -69 | 110.6 | 167.9 | 22.4 | 0 | 0 | 0 | 0 | 109.5 | G293 V294 G297 | T291-G293 PolarHBondContact O-N 2.7Å; T291-V294 PolarHBondContact O-N 3.25Å; T291-G297 PolarHBondContact N-O 3.5Å; T291-G297 WeakPolarHBondContact OG1-CA 3.39Å; T291-G297 PolarHBondContact OG1-O 2.79Å | ||
| 292 | L | 58.1 | Low | 59.5 | Low | 145 Ų | 145 | 73.9 Ų | 73.9 | 76% | 0.759 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 122.5 | 169.2 | -64.6 | 176.5 | 0 | 0 | 0 | 109.4 | S260 P290 | S260-L292 WeakPolarHBondContact CB-O 3.15Å; S260-L292 PolarHBondContact OG-N 3.31Å; S260-L292 PolarHBondContact OG-O 3.21Å; P290-L292 PolarHBondContact O-N 2.77Å |
| 293 | G | 56 | Low | 59.5 | Low | 86 Ų | 86 | 77 Ų | 77 | 89% | 0.887 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.1 | -3.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | T291 | T291-G293 PolarHBondContact O-N 2.7Š|
| 294 | V | 50.4 | Low | 59.1 | Low | 89 Ų | 89 | 77.5 Ų | 77.5 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | trans | -120.5 | 108.5 | 177.4 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | T291 G296 G297 | T291-V294 PolarHBondContact O-N 3.25Å; V294-G296 PolarHBondContact O-N 3.09Å; V294-G297 PolarHBondContact O-N 3.31Å | ||
| 295 | E | 48.5 | Very low | 59.1 | Low | 200 Ų | 200 | 77.4 Ų | 77.4 | 94% | 0.935 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 127.3 | 165.1 | -76.8 | -115.2 | 118.3 | 0 | 0 | 109.3 | G297 | E295-G297 VanDerWaalsContact C-N 3.35Š|
| 296 | G | 51.4 | Low | 59.1 | Low | 83 Ų | 83 | 75.4 Ų | 75.4 | 86% | 0.856 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 3.6 | -174 | 0 | 0 | 0 | 0 | 0 | 115.3 | V294 G298 | V294-G296 PolarHBondContact O-N 3.09Å; G296-G298 PolarHBondContact O-N 3.03Å |
| 297 | G | 48.9 | Very low | 59 | Low | 18 Ų | 18 | 78.4 Ų | 78.4 | 19% | 0.186 | 49% | 0.49 | C | S | . | . | trans | -69.2 | 43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | T291 V294 E295 | T291-G297 PolarHBondContact N-O 3.5Å; T291-G297 WeakPolarHBondContact OG1-CA 3.39Å; T291-G297 PolarHBondContact OG1-O 2.79Å; V294-G297 PolarHBondContact O-N 3.31Å; E295-G297 VanDerWaalsContact C-N 3.35Å | ||
| 298 | G | 57.3 | Low | 58.9 | Low | 58 Ų | 58 | 79 Ų | 79 | 60% | 0.598 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -87.5 | 156.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G296 | G296-G298 PolarHBondContact O-N 3.03Š|
| 299 | C | 60.9 | Low | 58.7 | Low | 24 Ų | 24 | 77.6 Ų | 77.6 | 16% | 0.162 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 119.4 | -175.8 | -44.1 | 0 | 0 | 0 | 0 | 111.1 | G263 W264 C288 | G263-C299 PolarHBondContact O-SG 2.77Å; G263-C299 VanDerWaalsContact O-SG 3.36Å; W264-C299 HydrophobicContact CD2-CB 3.44Å; W264-C299 VanDerWaalsContact CD2-CB 3.44Å; W264-C299 HydrophobicContact CE3-CB 4.04Å; W264-C299 HydrophobicContact CG-CB 3.68Å; W264-C299 HydrophobicContact CH2-CB 4.34Å; W264-C299 HydrophobicContact CZ2-CB 3.78Å; W264-C299 WeakPolarHBondContact CZ2-O 3.47Å; W264-C299 HydrophobicContact CZ3-CB 4.45Å; W264-C299 PolarHBondContact N-SG 2.98Å; W264-C299 VanDerWaalsContact N-SG 3.45Å; C288-C299 WeakPolarHBondContact CA-SG 3.2Å; C288-C299 HydrophobicContact CB-CB 3.67Å; C288-C299 WeakPolarHBondContact CB-SG 3.48Å; C288-C299 WeakPolarHBondContact SG-CB 3.31Å; C288-C299 PolarHBondContact SG-N 2.99Å; C288-C299 CovalentContact SG-SG 2.03Å; C288-C299 PolarHBondContact SG-SG 3.14Å |
| 300 | E | 59.3 | Low | 59 | Low | 188 Ų | 188 | 77.5 Ų | 77.5 | 88% | 0.879 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 132 | -177.9 | -168.1 | 178.3 | 176.2 | 0 | 0 | 112.2 | W264 | W264-E300 PolarHBondContact NE1-O 2.96Š|
| 301 | G | 53.5 | Low | 59.8 | Low | 56 Ų | 56 | 82.4 Ų | 82.4 | 58% | 0.577 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 116.6 | -166.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | W264 | W264-G301 WeakPolarHBondContact CZ2-O 3.25Š|
| 302 | V | 49.6 | Very low | 60.7 | Low | 52 Ų | 52 | 89.4 Ų | 89.4 | 32% | 0.315 | 51% | 0.514 | S | S | . | . | trans | -89.1 | 141.5 | -166.7 | -59.6 | 0 | 0 | 0 | 0 | 113 | W267 R286 T330 | W267-V302 HydrophobicContact CH2-CG2 4.06Å; W267-V302 HydrophobicContact CZ2-CG2 4.2Å; R286-V302 VanDerWaalsContact CZ-O 3.3Å; R286-V302 PolarHBondContact NE-O 2.83Å; R286-V302 PolarHBondContact NH2-O 2.67Å; V302-T330 HydrophobicContact CG1-CG2 3.73Å; V302-T330 VanDerWaalsContact CG1-OG1 3.27Å; V302-T330 WeakPolarHBondContact CG1-OG1 3.45Å | ||
| 303 | L | 59.7 | Low | 61.4 | Low | 97 Ų | 97 | 86.9 Ų | 86.9 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -81.9 | -30.1 | 179 | -173.3 | 76.3 | 0 | 0 | 0 | 112.7 | W264 T285 R286 | W264-L303 HydrophobicContact CH2-CB 4.38Å; W264-L303 HydrophobicContact CH2-CD1 4.02Å; W264-L303 HydrophobicContact CZ3-CD1 3.84Å; T285-L303 CarbonylContact C-O 3.45Å; T285-L303 VanDerWaalsContact CA-O 3.31Å; T285-L303 WeakPolarHBondContact CA-O 3.31Å; R286-L303 PolarHBondContact N-O 3.12Å; R286-L303 WeakPolarHBondContact O-CD1 3.19Å |
| 304 | E | 58.8 | Low | 62.5 | Low | 33 Ų | 33 | 85 Ų | 85 | 15% | 0.154 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 140.4 | -169.8 | -173.6 | -176.5 | 150.8 | 0 | 0 | 108.7 | R284 T285 R328 | R284-E304 WeakPolarHBondContact O-CA 3.31Å; T285-E304 HydrophobicContact CG2-CB 4.09Å; T285-E304 HydrophobicContact CG2-CG 3.9Å; E304-R328 HydrophobicContact CG-CB 4.39Å; E304-R328 PolarHBondContact OE1-N 2.93Å |
| 305 | E | 67.1 | Low | 63.9 | Low | 57 Ų | 57 | 82.8 Ų | 82.8 | 27% | 0.266 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 140.8 | 178.2 | -171.5 | -168.4 | 159.5 | 0 | 0 | 109.7 | W267 W270 T283 R284 | W267-E305 HydrophobicContact CH2-CB 3.97Å; W267-E305 HydrophobicContact CZ3-CB 4.16Å; W270-E305 HydrophobicContact CH2-CB 4.34Å; W270-E305 HydrophobicContact CH2-CG 3.97Å; T283-E305 CarbonylContact C-O 3.49Å; T283-E305 WeakPolarHBondContact CA-O 3.39Å; R284-E305 HydrophobicContact CG-CB 4.11Å; R284-E305 IonicContact CZ-OE2 3.48Å; R284-E305 PolarHBondContact N-O 3.16Å; R284-E305 IonicContact NE-OE2 3.44Å; R284-E305 PolarHBondContact NE-OE2 3.22Å; R284-E305 IonicContact NH2-OE1 2.72Å; R284-E305 IonicContact NH2-OE2 3.92Å; R284-E305 PolarHBondContact NH2-OE2 2.98Å; R284-E305 PolarHBondContact O-N 3.4Å |
| 306 | G | 65.3 | Low | 64.9 | Low | 25 Ų | 25 | 80.1 Ų | 80.1 | 26% | 0.258 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 133 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q282 L327 | Q282-G306 WeakPolarHBondContact O-CA 3.38Å; G306-L327 VanDerWaalsContact CA-CD2 3.46Å |
| 307 | R | 66.9 | Low | 65.4 | Low | 108 Ų | 108 | 82.8 Ų | 82.8 | 41% | 0.408 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 148.5 | 177 | 75.8 | 178 | -174.4 | -179.1 | 1.1 | 113.6 | W270 L281 Q282 | W270-R307 HydrophobicContact CD2-CG 4.38Å; W270-R307 HydrophobicContact CE3-CG 3.86Å; W270-R307 HydrophobicContact CH2-CB 3.95Å; W270-R307 HydrophobicContact CH2-CG 3.79Å; W270-R307 HydrophobicContact CZ2-CG 4.29Å; W270-R307 HydrophobicContact CZ3-CB 4.02Å; W270-R307 HydrophobicContact CZ3-CG 3.56Å; L281-R307 CarbonylContact C-O 3.6Å; L281-R307 WeakPolarHBondContact CA-O 3.48Å; L281-R307 WeakPolarHBondContact CD1-O 3Å; Q282-R307 HydrophobicContact CB-CG 4.15Å; Q282-R307 PolarHBondContact N-O 2.72Å; Q282-R307 PolarHBondContact O-N 2.87Å; Q282-R307 VanDerWaalsContact OE1-NE 3.14Å |
| 308 | L | 66.2 | Low | 65.6 | Low | 104 Ų | 104 | 83.9 Ų | 83.9 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 135.3 | 177 | -69.5 | 169.4 | 0 | 0 | 0 | 112.7 | G280 L281 | G280-L308 WeakPolarHBondContact O-CA 3.24Å; L281-L308 HydrophobicContact CD1-CD2 3.81Å; L281-L308 HydrophobicContact CD1-CG 4.17Å |
| 309 | C | 70.6 | Confident | 65.6 | Low | 13 Ų | 13 | 92.8 Ų | 92.8 | 9% | 0.088 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 168.3 | -179.2 | 51.7 | 0 | 0 | 0 | 0 | 111.5 | C273 G279 G280 L281 Q282 R311 | C273-C309 VanDerWaalsContact CA-SG 3.54Å; C273-C309 HydrophobicContact CB-CB 3.85Å; C273-C309 WeakPolarHBondContact CB-SG 3.49Å; C273-C309 WeakPolarHBondContact SG-CB 3.04Å; C273-C309 CovalentContact SG-SG 2.02Å; C273-C309 PolarHBondContact SG-SG 3.16Å; G279-C309 WeakPolarHBondContact CA-O 3.31Å; G280-C309 PolarHBondContact N-O 2.69Å; G280-C309 PolarHBondContact O-N 3.33Å; G280-C309 PolarHBondContact O-SG 2.99Å; G280-C309 VanDerWaalsContact O-SG 3.42Å; L281-C309 VanDerWaalsContact C-SG 3.53Å; L281-C309 PolarHBondContact N-SG 3.3Å; Q282-C309 HydrophobicContact CG-CB 4.12Å; C309-R311 VanDerWaalsContact C-N 3.34Å; C309-R311 PolarHBondContact O-N 2.76Å; C309-R311 VanDerWaalsContact O-N 3.16Å |
| 310 | N | 75.5 | Confident | 65.3 | Low | 72 Ų | 72 | 94.1 Ų | 94.1 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | trans | 47.3 | 47.2 | 172.9 | -63.7 | -12.4 | 0 | 0 | 0 | 115.4 | C273 R275 C277 G278 G279 K312 | C273-N310 WeakPolarHBondContact CB-ND2 3.03Å; C273-N310 PolarHBondContact SG-ND2 2.91Å; R275-N310 VanDerWaalsContact O-CB 3.3Å; R275-N310 WeakPolarHBondContact O-CB 3.43Å; R275-N310 PolarHBondContact O-ND2 2.85Å; C277-N310 CarbonylContact C-O 3.58Å; G278-N310 PolarHBondContact N-O 3.18Å; G279-N310 PolarHBondContact N-O 2.81Å; N310-K312 PolarHBondContact O-N 2.79Å | ||
| 311 | R | 74.9 | Confident | 65.1 | Low | 188 Ų | 188 | 87.4 Ų | 87.4 | 71% | 0.709 | 49% | 0.493 | S | S | * | . | trans | -68.7 | -8.3 | -176.4 | -57.7 | -174.4 | -172.1 | -171.2 | 2.1 | 115.1 | C309 | C309-R311 VanDerWaalsContact C-N 3.34Å; C309-R311 PolarHBondContact O-N 2.76Å; C309-R311 VanDerWaalsContact O-N 3.16Å | ||
| 312 | K | 76.5 | Confident | 64.9 | Low | 182 Ų | 182 | 88.6 Ų | 88.6 | 79% | 0.791 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -65.8 | 134.9 | 177.2 | -66.3 | -175.4 | 178.4 | -178.2 | 0 | 109.5 | G278 N310 | G278-K312 PolarHBondContact N-O 3.43Å; N310-K312 PolarHBondContact O-N 2.79Å |
| 313 | A | 73.1 | Confident | 64.9 | Low | 91 Ų | 91 | 92.8 Ų | 92.8 | 75% | 0.752 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 143.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 314 | C | 77.2 | Confident | 63.9 | Low | 47 Ų | 47 | 94 Ų | 94 | 32% | 0.318 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 132.9 | 171.3 | -61.6 | 0 | 0 | 0 | 0 | 109.5 | C277 | C277-C314 HydrophobicContact CB-CB 3.97Å; C277-C314 WeakPolarHBondContact CB-SG 3.33Å; C277-C314 VanDerWaalsContact SG-CA 3.51Å; C277-C314 WeakPolarHBondContact SG-CB 3.26Å; C277-C314 CovalentContact SG-SG 2.04Å; C277-C314 PolarHBondContact SG-SG 3.45Å |
| 315 | G | 80.6 | Confident | 62.9 | Low | 43 Ų | 43 | 97 Ų | 97 | 44% | 0.443 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 160.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | T317 G318 | G315-T317 PolarHBondContact O-N 3.36Å; G315-G318 PolarHBondContact O-N 2.03Å |
| 316 | P | 69.2 | Low | 61.2 | Low | 143 Ų | 143 | 100 Ų | 100 | 93% | 0.929 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -13 | -173.2 | 24.8 | -35 | 0 | 0 | 0 | 114.9 | ||
| 317 | T | 61.6 | Low | 59.7 | Low | 139 Ų | 139 | 100.9 Ų | 100.9 | 85% | 0.853 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 3.9 | 177.5 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | G315 R319 | G315-T317 PolarHBondContact O-N 3.36Å; T317-R319 PolarHBondContact O-N 2.97Å |
| 318 | G | 53.3 | Low | 58.3 | Low | 42 Ų | 42 | 104.6 Ų | 104.6 | 43% | 0.433 | 57% | 0.573 | S | S | . | * | trans | -82.8 | 108.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G315 S320 | G315-G318 PolarHBondContact O-N 2.03Å; G318-S320 PolarHBondContact O-N 2.78Å | ||
| 319 | R | 57.5 | Low | 56.5 | Low | 244 Ų | 244 | 102.3 Ų | 102.3 | 92% | 0.921 | 57% | 0.566 | S | S | * | * | trans | -63.3 | 113.4 | 167 | -82.7 | 178.8 | 153.8 | -173.8 | -7.2 | 110 | T317 S321 | T317-R319 PolarHBondContact O-N 2.97Å; R319-S321 PolarHBondContact O-N 3.2Å | ||
| 320 | S | 54.6 | Low | 54.4 | Low | 52 Ų | 52 | 105.9 Ų | 105.9 | 36% | 0.364 | 59% | 0.587 | S | S | . | * | trans | -66.7 | 99.8 | 173.2 | 177.8 | 0 | 0 | 0 | 0 | 110 | R275 G318 S322 | R275-S320 PolarHBondContact NH2-OG 3.22Å; G318-S320 PolarHBondContact O-N 2.78Å; S320-S322 PolarHBondContact O-N 3.36Å | ||
| 321 | S | 55.1 | Low | 52.3 | Low | 48 Ų | 48 | 109.8 Ų | 109.8 | 34% | 0.336 | 61% | 0.608 | S | S | . | * | trans | -71 | 123.7 | 162.5 | 121.4 | 0 | 0 | 0 | 0 | 108 | D276 R319 | D276-S321 WeakPolarHBondContact OD2-CB 3.2Å; D276-S321 PolarHBondContact OD2-OG 2.04Å; R319-S321 PolarHBondContact O-N 3.2Å | ||
| 322 | S | 49.2 | Very low | 50 | Low | 81 Ų | 81 | 105.4 Ų | 105.4 | 57% | 0.566 | 61% | 0.612 | S | S | * | * | B | Isolated β-bridge | trans | -118.4 | 99.7 | -179.9 | -67.1 | 0 | 0 | 0 | 0 | 108.3 | T274 S320 S324 | T274-S322 CarbonylContact O-C 3.57Å; T274-S322 WeakPolarHBondContact O-CA 3.19Å; S320-S322 PolarHBondContact O-N 3.36Å; S322-S324 PolarHBondContact O-N 2.79Å |
| 323 | R | 50.4 | Low | 47.9 | Very low | 140 Ų | 140 | 103 Ų | 103 | 53% | 0.528 | 60% | 0.598 | S | S | . | * | trans | -83.3 | 106.1 | 172.2 | -67.3 | -175.7 | -177.7 | -170.2 | -0.3 | 107.9 | E272 T274 Q325 | E272-R323 IonicContact OE1-NH1 2.72Å; E272-R323 PolarHBondContact OE1-NH1 3.05Å; E272-R323 IonicContact OE2-CZ 2.77Å; E272-R323 IonicContact OE2-NH1 3.18Å; E272-R323 PolarHBondContact OE2-NH1 3.36Å; T274-R323 WeakPolarHBondContact CA-O 3.29Å; T274-R323 WeakPolarHBondContact CB-O 3.48Å; T274-R323 VanDerWaalsContact CG2-O 3.25Å; T274-R323 WeakPolarHBondContact CG2-O 3.47Å; T274-R323 PolarHBondContact O-N 3.41Å; R323-Q325 PolarHBondContact O-N 2.89Å; R323-Q325 VanDerWaalsContact O-N 3.09Å | ||
| 324 | S | 37.5 | Very low | 45.8 | Very low | 121 Ų | 121 | 107.9 Ų | 107.9 | 85% | 0.846 | 60% | 0.597 | S | S | * | * | trans | -71.5 | 102.7 | -179.1 | 55.1 | 0 | 0 | 0 | 0 | 111.2 | S322 | S322-S324 PolarHBondContact O-N 2.79Š| ||
| 325 | Q | 39.5 | Very low | 43.7 | Very low | 96 Ų | 96 | 114.2 Ų | 114.2 | 45% | 0.449 | 61% | 0.614 | S | S | . | * | trans | -116.9 | 120.4 | 160.1 | -65.9 | -169 | 1.8 | 0 | 0 | 108.4 | T274 R323 | T274-Q325 HydrophobicContact CG2-CB 4.13Å; R323-Q325 PolarHBondContact O-N 2.89Å; R323-Q325 VanDerWaalsContact O-N 3.09Å | ||
| 326 | S | 30.7 | Very low | 41.3 | Very low | 120 Ų | 120 | 117.7 Ų | 117.7 | 84% | 0.839 | 62% | 0.619 | S | S | * | * | trans | -62.8 | 141.5 | 173.2 | -60.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 327 | L | 33.8 | Very low | 39.6 | Very low | 45 Ų | 45 | 118.1 Ų | 118.1 | 24% | 0.236 | 61% | 0.608 | C | S | . | * | trans | -135.2 | 123 | -169.6 | -107.4 | 133.4 | 0 | 0 | 0 | 112.2 | T274 L281 T283 G306 | T274-L327 HydrophobicContact CG2-CD1 4.24Å; L281-L327 HydrophobicContact CB-CD1 3.81Å; L281-L327 HydrophobicContact CD2-CB 3.49Å; L281-L327 VanDerWaalsContact CD2-CB 3.49Å; L281-L327 HydrophobicContact CD2-CD1 3.69Å; L281-L327 HydrophobicContact CD2-CD2 3.89Å; L281-L327 HydrophobicContact CD2-CG 3.82Å; L281-L327 HydrophobicContact CG-CB 4.34Å; L281-L327 HydrophobicContact CG-CD1 3.65Å; L281-L327 HydrophobicContact CG-CD2 3.9Å; L281-L327 HydrophobicContact CG-CG 4.12Å; T283-L327 HydrophobicContact CG2-CD1 3.88Å; T283-L327 HydrophobicContact CG2-CD2 3.46Å; T283-L327 VanDerWaalsContact CG2-CD2 3.46Å; T283-L327 HydrophobicContact CG2-CG 3.37Å; G306-L327 VanDerWaalsContact CA-CD2 3.46Å | ||
| 328 | R | 36.8 | Very low | 38.2 | Very low | 185 Ų | 185 | 119.9 Ų | 119.9 | 70% | 0.698 | 60% | 0.604 | S | S | * | * | trans | -99.7 | 140.3 | 166 | -62 | 175.8 | 155.3 | 150.7 | -5.6 | 109.3 | E304 | E304-R328 HydrophobicContact CG-CB 4.39Å; E304-R328 PolarHBondContact OE1-N 2.93Å | ||
| 329 | S | 28.4 | Very low | 37.1 | Very low | 57 Ų | 57 | 121.4 Ų | 121.4 | 40% | 0.399 | 62% | 0.62 | S | S | . | * | trans | -176.3 | 121.3 | 144.5 | 178.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 330 | T | 27.5 | Very low | 35.8 | Very low | 87 Ų | 87 | 116 Ų | 116 | 53% | 0.534 | 61% | 0.61 | S | S | . | * | trans | -2.9 | 148.5 | 132 | 32 | 0 | 0 | 0 | 0 | 121.1 | V302 | V302-T330 HydrophobicContact CG1-CG2 3.73Å; V302-T330 VanDerWaalsContact CG1-OG1 3.27Å; V302-T330 WeakPolarHBondContact CG1-OG1 3.45Å | ||
| 331 | D | 30.3 | Very low | 34.7 | Very low | 154 Ų | 154 | 121 Ų | 121 | 82% | 0.824 | 63% | 0.627 | S | S | * | * | trans | -46.6 | 156.3 | 176.5 | -78.4 | -89.8 | 0 | 0 | 0 | 120.3 | ||||
| 332 | A | 27.9 | Very low | 33.6 | Very low | 96 Ų | 96 | 124.5 Ų | 124.5 | 79% | 0.793 | 64% | 0.642 | S | S | * | * | -171.2 | 107.2 | 117.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 333 | R | 31.7 | Very low | 32.7 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 50% | 0.502 | 65% | 0.65 | S | S | . | * | trans | 41.4 | 131.4 | 132.2 | -76.4 | -173.6 | 167.2 | -161.4 | -12.9 | 124.4 | D219 | D219-R333 IonicContact OD1-CZ 3.48Å; D219-R333 IonicContact OD1-NH1 2.66Å; D219-R333 PolarHBondContact OD1-NH1 3.25Å; D219-R333 IonicContact OD1-NH2 2.83Å; D219-R333 PolarHBondContact OD1-NH2 3.34Å; D219-R333 IonicContact OD2-CZ 3.97Å; D219-R333 IonicContact OD2-NH1 2.87Å; D219-R333 PolarHBondContact OD2-NH1 3.17Å; D219-R333 IonicContact OD2-NH2 2.72Å; D219-R333 PolarHBondContact OD2-NH2 3.42Å | ||
| 334 | R | 28.8 | Very low | 31.6 | Very low | 192 Ų | 192 | 128.4 Ų | 128.4 | 73% | 0.725 | 66% | 0.657 | S | S | * | * | trans | 70.7 | 135.3 | 133.2 | -144.5 | -165.3 | -83.4 | -175.4 | -5.3 | 115.9 | ||||
| 335 | R | 33.6 | Very low | 31 | Very low | 181 Ų | 181 | 131.3 Ų | 131.3 | 68% | 0.683 | 66% | 0.655 | S | S | * | * | -178.3 | 150.9 | 51.6 | -160.5 | 168.7 | -164.4 | -127 | -1.5 | 112.8 | |||||
| 336 | E | 29 | Very low | 30.3 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 54% | 0.537 | 67% | 0.671 | S | S | . | * | trans | 65.3 | 109.4 | 148.3 | -82.7 | 152 | -160.3 | 0 | 0 | 125.4 | ||||
| 337 | E | 34.1 | Very low | 30.2 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 71% | 0.71 | 67% | 0.674 | S | S | * | * | 89.2 | 134.8 | 108.8 | -81.3 | -170.4 | 142.3 | 0 | 0 | 126.3 | |||||
| 338 | F | 32.4 | Very low | 30.5 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 77% | 0.772 | 70% | 0.696 | S | S | * | * | trans | 60.4 | 133.4 | 148.7 | -87.7 | -84.6 | 0 | 0 | 0 | 124 | ||||
| 339 | G | 29.5 | Very low | 30 | Very low | 74 Ų | 74 | 133.9 Ų | 133.9 | 76% | 0.763 | 70% | 0.699 | S | S | * | * | trans | 168 | 116.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 340 | D | 31.3 | Very low | 30.5 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | -88.6 | 162.2 | -158.9 | -98.9 | -52 | 0 | 0 | 0 | 117.7 | ||||
| 341 | E | 32 | Very low | 30.6 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | trans | 64.9 | 132.3 | 143.1 | -79.9 | -164.7 | 108.5 | 0 | 0 | 125.7 | ||||
| 342 | L | 31.6 | Very low | 30.5 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 64% | 0.644 | 73% | 0.727 | S | S | * | * | trans | 81.8 | 128.4 | 134.8 | -71.5 | 168.7 | 0 | 0 | 0 | 123.4 | ||||
| 343 | Q | 28.7 | Very low | 30.6 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | 92.2 | 108.2 | 133.3 | -84.1 | 170.1 | 18.4 | 0 | 0 | 122.5 | ||||
| 344 | Q | 28.3 | Very low | 30.5 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | 93.5 | 110.1 | 113.9 | -138.9 | 69.7 | -7.2 | 0 | 0 | 121.1 | |||||
| 345 | F | 25.5 | Very low | 30.7 | Very low | 183 Ų | 183 | 138.4 Ų | 138.4 | 80% | 0.803 | 75% | 0.749 | S | S | * | * | trans | 42.8 | 134.1 | 140.8 | -73.1 | -114.6 | 0 | 0 | 0 | 122.5 | ||||
| 346 | G | 25.3 | Very low | 31.3 | Very low | 76 Ų | 76 | 134.7 Ų | 134.7 | 78% | 0.784 | 75% | 0.748 | S | S | * | * | trans | 178.7 | 112.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 347 | F | 27 | Very low | 31.3 | Very low | 205 Ų | 205 | 136.6 Ų | 136.6 | 90% | 0.899 | 76% | 0.757 | S | S | * | * | trans | -91.6 | 173.2 | 177.3 | -92 | -90.3 | 0 | 0 | 0 | 112.1 | ||||
| 348 | P | 40.6 | Very low | 31.1 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | -116.7 | -154.8 | -144.4 | 46.3 | -41.4 | 0 | 0 | 0 | 115.7 | ||||
| 349 | S | 26.6 | Very low | 31 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | 102.6 | 161.4 | 165.2 | 84.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 350 | P | 39 | Very low | 31 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | cis | -135.9 | 154.6 | 10.5 | 40.8 | -22.7 | 0 | 0 | 0 | 119.5 | ||||
| 351 | Q | 28.9 | Very low | 30.9 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | 33.7 | 125.6 | 136 | -49.6 | -64.2 | 14.6 | 0 | 0 | 123.2 | ||||
| 352 | T | 28.1 | Very low | 30.8 | Very low | 135 Ų | 135 | 137 Ų | 137 | 83% | 0.828 | 76% | 0.757 | S | S | * | * | trans | -34.9 | 158.4 | 143.6 | 30.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 353 | G | 30.3 | Very low | 30.5 | Very low | 74 Ų | 74 | 142.6 Ų | 142.6 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | 134.6 | 123.5 | 122.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 354 | L | 30.9 | Very low | 30.6 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 94% | 0.942 | 78% | 0.775 | S | S | * | * | trans | -86 | 143.3 | 164.4 | -68.7 | 100.9 | 0 | 0 | 0 | 110.6 | ||||
| 355 | D | 31 | Very low | 30.4 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | -96.1 | 157.8 | 158.1 | -137.1 | -19.7 | 0 | 0 | 0 | 107.5 | ||||
| 356 | P | 46.3 | Very low | 31.4 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | -153.5 | 160.7 | 67.7 | 37.4 | -16.3 | 0 | 0 | 0 | 117.6 | |||||
| 357 | Q | 29.2 | Very low | 31.6 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | 159.2 | 124 | 116.2 | -80.1 | -92 | -37.4 | 0 | 0 | 113.3 | |||||
| 358 | V | 30.1 | Very low | 31.8 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | trans | 49.5 | 120.8 | 134.9 | -171.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 359 | T | 30 | Very low | 31.3 | Very low | 115 Ų | 115 | 133 Ų | 133 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | -166.1 | 158.2 | 85.8 | -50 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 360 | Q | 30.7 | Very low | 31.4 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | trans | -17 | 159.7 | 163.2 | -57.8 | 172.2 | -10.8 | 0 | 0 | 118.7 | ||||
| 361 | Q | 28.8 | Very low | 30.9 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | cis | -170.6 | 176.5 | 24.7 | -137 | 150.6 | 10.4 | 0 | 0 | 111.9 | ||||
| 362 | L | 29 | Very low | 31.5 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | 109.3 | 76.8 | 159.9 | -62.3 | 168.1 | 0 | 0 | 0 | 120.4 | ||||
| 363 | R | 27 | Very low | 31.6 | Very low | 242 Ų | 242 | 134.6 Ų | 134.6 | 91% | 0.913 | 77% | 0.768 | S | S | * | * | 36.9 | 107.6 | 111.7 | -152.7 | -177.7 | -155.3 | -177.8 | 5.7 | 119.3 | |||||
| 364 | S | 29.6 | Very low | 32.4 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | -172.1 | 131.9 | 123.8 | 35.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 365 | G | 25.6 | Very low | 32.5 | Very low | 70 Ų | 70 | 132.1 Ų | 132.1 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | -101.8 | -156.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 366 | P | 44.6 | Very low | 32.6 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | cis | -138.7 | -178.6 | 8 | 26.6 | -1.4 | 0 | 0 | 0 | 115.7 | ||||
| 367 | H | 31.4 | Very low | 32 | Very low | 185 Ų | 185 | 137.4 Ų | 137.4 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | 135.1 | 136.6 | 138.7 | -75.6 | -72.9 | 0 | 0 | 0 | 117.2 | ||||
| 368 | G | 30.4 | Very low | 32.3 | Very low | 67 Ų | 67 | 134.7 Ų | 134.7 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | trans | 80.5 | 87.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 369 | V | 29.8 | Very low | 32.2 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | 59.9 | 93.5 | 57.2 | -166 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 370 | Y | 28.6 | Very low | 32.6 | Very low | 231 Ų | 231 | 139.4 Ų | 139.4 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | -175.3 | 157.9 | 112.4 | -103.9 | -74.5 | 0 | 0 | 0 | 111.5 | |||||
| 371 | A | 28.9 | Very low | 33.4 | Very low | 84 Ų | 84 | 138.2 Ų | 138.2 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | trans | -124.1 | -167.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 372 | P | 41.8 | Very low | 33.7 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | -136.2 | 168.5 | -65.5 | 39.4 | -24 | 0 | 0 | 0 | 115.4 | |||||
| 373 | V | 29.7 | Very low | 35.3 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 55.7 | -179.5 | 163.8 | -108.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 374 | P | 46.7 | Very low | 35.6 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | cis | -131.2 | 155.3 | -36.6 | 31 | -12.2 | 0 | 0 | 0 | 116.6 | ||||
| 375 | A | 33.1 | Very low | 35.7 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | 32.1 | 156.8 | 137.3 | 0 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 376 | V | 33.7 | Very low | 36.2 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | trans | 129.3 | 120.7 | 133 | 178 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 377 | R | 34.2 | Very low | 35.4 | Very low | 241 Ų | 241 | 129 Ų | 129 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | 67.6 | 159.5 | 152.9 | -83.8 | 172.5 | 177.6 | 162.2 | -1.4 | 120.9 | ||||
| 378 | A | 33.8 | Very low | 35.4 | Very low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | cis | -156.9 | 163.2 | -6.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 379 | G | 29.6 | Very low | 36.5 | Very low | 82 Ų | 82 | 130.3 Ų | 130.3 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | 170 | 98 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 380 | R | 37.2 | Very low | 36.7 | Very low | 244 Ų | 244 | 135.5 Ų | 135.5 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -128.5 | 155.8 | 163.8 | -109.4 | -172.3 | -173.3 | -170.8 | 3.7 | 106.2 | ||||
| 381 | P | 47.1 | Very low | 36.8 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | -145.4 | -170.1 | 57.8 | 37 | -14.6 | 0 | 0 | 0 | 116.2 | |||||
| 382 | A | 35.5 | Very low | 37.1 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -115.1 | -158.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 383 | P | 62.2 | Low | 36.7 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | cis | -144 | -156.5 | -1.6 | 43.9 | -22.1 | 0 | 0 | 0 | 115.9 | ||||
| 384 | A | 34.5 | Very low | 37 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | 87.8 | 141 | 171 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 385 | S | 32.1 | Very low | 36.6 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | cis | -144.4 | 172 | 14.7 | 57.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 386 | A | 34.8 | Very low | 36.8 | Very low | 91 Ų | 91 | 134.4 Ų | 134.4 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -126.1 | 157.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 387 | C | 27.9 | Very low | 36.9 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 92% | 0.919 | 81% | 0.808 | S | S | * | * | trans | 169.4 | 161.6 | 135.8 | -93.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 388 | H | 32.1 | Very low | 37.2 | Very low | 184 Ų | 184 | 136 Ų | 136 | 85% | 0.852 | 83% | 0.826 | S | S | * | * | trans | -117.5 | -159.7 | -177 | -125.9 | 25.7 | 0 | 0 | 0 | 107.6 | ||||
| 389 | P | 53.5 | Low | 37.3 | Very low | 96 Ų | 96 | 138 Ų | 138 | 62% | 0.623 | 83% | 0.828 | S | S | * | * | cis | -142.4 | -164 | -27.5 | 34.1 | -10.4 | 0 | 0 | 0 | 115.3 | ||||
| 390 | R | 33.8 | Very low | 37.7 | Very low | 231 Ų | 231 | 140.9 Ų | 140.9 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | trans | 76.7 | 154.6 | 159.8 | -62.5 | 178.2 | 170.4 | -177 | -3.4 | 117.8 | ||||
| 391 | T | 31.3 | Very low | 37.8 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 80% | 0.798 | 82% | 0.822 | S | S | * | * | cis | -151.4 | 164.7 | 20.3 | -33.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 392 | V | 35.1 | Very low | 37.2 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 74% | 0.739 | 82% | 0.821 | S | S | * | * | trans | -49.4 | 152.9 | 176.1 | -179.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 393 | L | 32.8 | Very low | 37.3 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -151.8 | 152.3 | 139.7 | -115.9 | 156 | 0 | 0 | 0 | 112 | ||||
| 394 | S | 35.5 | Very low | 35.7 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 71% | 0.706 | 83% | 0.829 | S | S | * | * | trans | -147.9 | 139.9 | -172.5 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 395 | A | 38.1 | Very low | 35.8 | Very low | 91 Ų | 91 | 142.5 Ų | 142.5 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | trans | -164.3 | 126 | 164.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 396 | V | 38.3 | Very low | 36 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 72% | 0.721 | 83% | 0.826 | S | S | * | * | cis | 85.3 | 111.2 | 48 | 178.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 397 | D | 34.4 | Very low | 36.1 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 78% | 0.781 | 83% | 0.832 | S | S | * | * | trans | 37.4 | 123 | 153.8 | -52 | -22.2 | 0 | 0 | 0 | 122.3 | ||||
| 398 | L | 40.8 | Very low | 36.9 | Very low | 248 Ų | 248 | 149.5 Ų | 149.5 | 100% | 1.298 | 82% | 0.824 | S | S | * | * | -165.1 | 0 | 112.1 | -104.9 | 160.7 | 0 | 0 | 0 | 112.3 |
Retrieved 398 of 398 residues in 220 ms
(Link to these results)