| 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 | V | 43 | Very low | 50.1 | Low | 198 Ų | 198 | 128.4 Ų | 128.4 | 100% | 1.2 | 66% | 0.658 | S | S | * | * | 0 | 103.9 | 0 | 177.3 | 0 | 0 | 0 | 0 | 108.5 | M3 | V1-M3 PolarHBondContact O-N 2.78Š| |||
| 2 | R | 44 | Very low | 50.8 | Low | 239 Ų | 239 | 122.1 Ų | 122.1 | 90% | 0.902 | 63% | 0.634 | S | S | * | * | trans | -63.8 | 124.8 | -169.9 | -158.9 | 166.5 | -168.1 | 171 | 2.1 | 109.9 | R4 | R2-R4 VanDerWaalsContact C-N 3.33Å; R2-R4 WeakPolarHBondContact O-CB 3.46Å; R2-R4 PolarHBondContact O-N 3.41Å | ||
| 3 | M | 45.8 | Very low | 51.7 | Low | 187 Ų | 187 | 115.7 Ų | 115.7 | 92% | 0.921 | 62% | 0.616 | S | S | * | * | trans | -50.1 | 92.5 | 178.1 | -73.9 | -82.5 | -103.9 | 0 | 0 | 110.5 | V1 G5 | V1-M3 PolarHBondContact O-N 2.78Å; M3-G5 PolarHBondContact O-N 2.93Å | ||
| 4 | R | 49.2 | Very low | 52.5 | Low | 204 Ų | 204 | 111.6 Ų | 111.6 | 77% | 0.77 | 61% | 0.606 | S | S | * | * | trans | -88.1 | 73.1 | -175 | -128.8 | -164.2 | -177 | 165.1 | 1.1 | 104.5 | R2 R8 | R2-R4 VanDerWaalsContact C-N 3.33Å; R2-R4 WeakPolarHBondContact O-CB 3.46Å; R2-R4 PolarHBondContact O-N 3.41Å; R4-R8 VanDerWaalsContact CB-NH1 3.3Å; R4-R8 PolarHBondContact O-NH1 3.39Å; R4-R8 VanDerWaalsContact O-NH1 3.08Å; R4-R8 PolarHBondContact O-NH2 3.05Å | ||
| 5 | G | 47.8 | Very low | 53.4 | Low | 31 Ų | 31 | 114.2 Ų | 114.2 | 32% | 0.32 | 60% | 0.604 | S | S | . | * | trans | 32 | 125.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | M3 A7 R8 | M3-G5 PolarHBondContact O-N 2.93Å; G5-A7 PolarHBondContact O-N 2.72Å; G5-R8 PolarHBondContact O-N 2.8Å; G5-R8 VanDerWaalsContact O-N 3.08Å | ||
| 6 | P | 51.8 | Low | 54.1 | Low | 89 Ų | 89 | 114.4 Ų | 114.4 | 58% | 0.578 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -17.2 | 160.4 | 23 | -33.6 | 0 | 0 | 0 | 113.7 | R8 L9 I10 | P6-R8 PolarHBondContact O-N 3.08Å; P6-L9 WeakPolarHBondContact O-CB 3.5Å; P6-L9 PolarHBondContact O-N 3.08Å; P6-I10 WeakPolarHBondContact O-CG1 3.39Å; P6-I10 PolarHBondContact O-N 2.67Å |
| 7 | A | 50.4 | Low | 54.6 | Low | 68 Ų | 68 | 112.5 Ų | 112.5 | 56% | 0.562 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -52.8 | -32.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G5 A11 | G5-A7 PolarHBondContact O-N 2.72Å; A7-A11 WeakPolarHBondContact O-CB 3.44Å; A7-A11 PolarHBondContact O-N 2.77Å |
| 8 | R | 52.4 | Low | 55.3 | Low | 128 Ų | 128 | 112.6 Ų | 112.6 | 48% | 0.483 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -74.2 | -31.8 | 177.5 | -74 | -159.5 | -54.4 | -61 | -13.8 | 112.9 | R4 G5 P6 S12 | R4-R8 VanDerWaalsContact CB-NH1 3.3Å; R4-R8 PolarHBondContact O-NH1 3.39Å; R4-R8 VanDerWaalsContact O-NH1 3.08Å; R4-R8 PolarHBondContact O-NH2 3.05Å; G5-R8 PolarHBondContact O-N 2.8Å; G5-R8 VanDerWaalsContact O-N 3.08Å; P6-R8 PolarHBondContact O-N 3.08Å; R8-S12 WeakPolarHBondContact O-CB 3.29Å; R8-S12 PolarHBondContact O-N 3.18Å; R8-S12 PolarHBondContact O-OG 2.97Å |
| 9 | L | 53.4 | Low | 55.8 | Low | 131 Ų | 131 | 116.9 Ų | 116.9 | 69% | 0.686 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.3 | -43.7 | 177.5 | -151.3 | 87.1 | 0 | 0 | 0 | 110.9 | P6 S12 G13 | P6-L9 WeakPolarHBondContact O-CB 3.5Å; P6-L9 PolarHBondContact O-N 3.08Å; L9-S12 VanDerWaalsContact CA-OG 3.27Å; L9-S12 WeakPolarHBondContact CA-OG 3.48Å; L9-S12 PolarHBondContact O-N 3.34Å; L9-S12 PolarHBondContact O-OG 2.92Å; L9-G13 PolarHBondContact O-N 3.1Å |
| 10 | I | 58.3 | Low | 55.9 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 52% | 0.523 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.2 | -44 | 176 | -59.2 | 166.1 | 0 | 0 | 0 | 110 | P6 S12 G13 A14 | P6-I10 WeakPolarHBondContact O-CG1 3.39Å; P6-I10 PolarHBondContact O-N 2.67Å; I10-S12 VanDerWaalsContact C-N 3.35Å; I10-S12 PolarHBondContact O-N 3.46Å; I10-G13 PolarHBondContact O-N 3.09Å; I10-A14 WeakPolarHBondContact O-CB 3.42Å; I10-A14 PolarHBondContact O-N 3.29Å |
| 11 | A | 55.3 | Low | 56.1 | Low | 35 Ų | 35 | 117.3 Ų | 117.3 | 29% | 0.289 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65 | -35.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A7 R15 | A7-A11 WeakPolarHBondContact O-CB 3.44Å; A7-A11 PolarHBondContact O-N 2.77Å; A11-R15 WeakPolarHBondContact O-CB 3.4Å; A11-R15 VanDerWaalsContact O-CG 3.31Å; A11-R15 WeakPolarHBondContact O-CG 3.37Å; A11-R15 PolarHBondContact O-N 3.18Å; A11-R15 VanDerWaalsContact O-N 3.1Å; A11-R15 PolarHBondContact O-NE 3.04Å |
| 12 | S | 57.5 | Low | 56.8 | Low | 53 Ų | 53 | 112.3 Ų | 112.3 | 37% | 0.371 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.4 | -38.6 | 172.7 | 40.5 | 0 | 0 | 0 | 0 | 112.6 | R8 L9 I10 R15 L16 | R8-S12 WeakPolarHBondContact O-CB 3.29Å; R8-S12 PolarHBondContact O-N 3.18Å; R8-S12 PolarHBondContact O-OG 2.97Å; L9-S12 VanDerWaalsContact CA-OG 3.27Å; L9-S12 WeakPolarHBondContact CA-OG 3.48Å; L9-S12 PolarHBondContact O-N 3.34Å; L9-S12 PolarHBondContact O-OG 2.92Å; I10-S12 VanDerWaalsContact C-N 3.35Å; I10-S12 PolarHBondContact O-N 3.46Å; S12-R15 PolarHBondContact O-N 2.85Å; S12-L16 WeakPolarHBondContact O-CB 3.11Å; S12-L16 PolarHBondContact O-N 3.27Å |
| 13 | G | 62.5 | Low | 57.1 | Low | 39 Ų | 39 | 104.6 Ų | 104.6 | 40% | 0.402 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | L9 I10 R15 L16 L17 | L9-G13 PolarHBondContact O-N 3.1Å; I10-G13 PolarHBondContact O-N 3.09Å; G13-R15 PolarHBondContact O-N 3.32Å; G13-L16 PolarHBondContact O-N 2.95Å; G13-L17 WeakPolarHBondContact O-CB 3.35Å; G13-L17 PolarHBondContact O-N 3.47Å |
| 14 | A | 64 | Low | 57.1 | Low | 58 Ų | 58 | 100.2 Ų | 100.2 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I10 L17 L18 | I10-A14 WeakPolarHBondContact O-CB 3.42Å; I10-A14 PolarHBondContact O-N 3.29Å; A14-L17 PolarHBondContact O-N 2.98Å; A14-L18 VanDerWaalsContact O-CB 3.31Å; A14-L18 WeakPolarHBondContact O-CB 3.49Å; A14-L18 PolarHBondContact O-N 2.79Å |
| 15 | R | 65 | Low | 57.1 | Low | 151 Ų | 151 | 96 Ų | 96 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.8 | -37.2 | 174.8 | -76.2 | -172.9 | -64.7 | -95.6 | -0.1 | 112.7 | A11 S12 G13 R19 | A11-R15 WeakPolarHBondContact O-CB 3.4Å; A11-R15 VanDerWaalsContact O-CG 3.31Å; A11-R15 WeakPolarHBondContact O-CG 3.37Å; A11-R15 PolarHBondContact O-N 3.18Å; A11-R15 VanDerWaalsContact O-N 3.1Å; A11-R15 PolarHBondContact O-NE 3.04Å; S12-R15 PolarHBondContact O-N 2.85Å; G13-R15 PolarHBondContact O-N 3.32Å; R15-R19 WeakPolarHBondContact O-CG 3.12Å; R15-R19 PolarHBondContact O-N 3.27Å |
| 16 | L | 65.1 | Low | 56.9 | Low | 118 Ų | 118 | 100.5 Ų | 100.5 | 62% | 0.618 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.7 | -42.9 | 176 | -166.5 | 72.8 | 0 | 0 | 0 | 110.8 | S12 G13 L18 R19 M20 | S12-L16 WeakPolarHBondContact O-CB 3.11Å; S12-L16 PolarHBondContact O-N 3.27Å; G13-L16 PolarHBondContact O-N 2.95Å; L16-L18 PolarHBondContact O-N 3.44Å; L16-R19 PolarHBondContact O-N 2.84Å; L16-M20 VanDerWaalsContact O-CG 3.26Å; L16-M20 WeakPolarHBondContact O-CG 3.27Å; L16-M20 PolarHBondContact O-N 3.34Å |
| 17 | L | 61.9 | Low | 56.6 | Low | 81 Ų | 81 | 108 Ų | 108 | 42% | 0.424 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.6 | -43.2 | 174.9 | -169.3 | 79 | 0 | 0 | 0 | 111.3 | G13 A14 R19 M20 L21 T63 | G13-L17 WeakPolarHBondContact O-CB 3.35Å; G13-L17 PolarHBondContact O-N 3.47Å; A14-L17 PolarHBondContact O-N 2.98Å; L17-R19 PolarHBondContact O-N 3.26Å; L17-M20 PolarHBondContact O-N 3.02Å; L17-L21 HydrophobicContact CD1-CD1 4.48Å; L17-L21 HydrophobicContact CG-CD1 4.09Å; L17-L21 WeakPolarHBondContact O-CD1 3.31Å; L17-L21 PolarHBondContact O-N 2.85Å; L17-T63 HydrophobicContact CD2-CG2 4.4Å |
| 18 | L | 68.4 | Low | 56.1 | Low | 115 Ų | 115 | 107.2 Ų | 107.2 | 60% | 0.602 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.7 | -43 | 176.5 | -170.7 | 63.2 | 0 | 0 | 0 | 110.9 | A14 L16 M20 L21 S22 | A14-L18 VanDerWaalsContact O-CB 3.31Å; A14-L18 WeakPolarHBondContact O-CB 3.49Å; A14-L18 PolarHBondContact O-N 2.79Å; L16-L18 PolarHBondContact O-N 3.44Å; L18-M20 PolarHBondContact O-N 2.88Å; L18-L21 PolarHBondContact O-N 2.91Å; L18-S22 WeakPolarHBondContact O-CB 3.46Å; L18-S22 PolarHBondContact O-N 3.28Å; L18-S22 PolarHBondContact O-OG 3.48Å |
| 19 | R | 65 | Low | 55.6 | Low | 195 Ų | 195 | 107.4 Ų | 107.4 | 74% | 0.736 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.9 | -37.6 | 174.6 | -77.8 | -169.7 | 172.6 | 177.8 | -1.7 | 113.2 | R15 L16 L17 S22 A23 | R15-R19 WeakPolarHBondContact O-CG 3.12Å; R15-R19 PolarHBondContact O-N 3.27Å; L16-R19 PolarHBondContact O-N 2.84Å; L17-R19 PolarHBondContact O-N 3.26Å; R19-S22 PolarHBondContact O-N 2.93Å; R19-A23 VanDerWaalsContact O-CB 3.31Å; R19-A23 WeakPolarHBondContact O-CB 3.45Å; R19-A23 PolarHBondContact O-N 3.45Å |
| 20 | M | 57.8 | Low | 55.1 | Low | 134 Ų | 134 | 105.5 Ų | 105.5 | 66% | 0.66 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.2 | -37.8 | 175.6 | -69.9 | -70.8 | -76.4 | 0 | 0 | 111.8 | L16 L17 L18 A23 L24 | L16-M20 VanDerWaalsContact O-CG 3.26Å; L16-M20 WeakPolarHBondContact O-CG 3.27Å; L16-M20 PolarHBondContact O-N 3.34Å; L17-M20 PolarHBondContact O-N 3.02Å; L18-M20 PolarHBondContact O-N 2.88Å; M20-A23 PolarHBondContact O-N 3.49Å; M20-L24 PolarHBondContact O-N 3.39Å; M20-L24 VanDerWaalsContact O-N 3.16Å |
| 21 | L | 58.6 | Low | 54.3 | Low | 107 Ų | 107 | 108.8 Ų | 108.8 | 56% | 0.56 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.9 | -37.6 | 171.7 | -104.4 | 89.8 | 0 | 0 | 0 | 112.1 | L17 L18 A23 L24 | L17-L21 HydrophobicContact CD1-CD1 4.48Å; L17-L21 HydrophobicContact CG-CD1 4.09Å; L17-L21 WeakPolarHBondContact O-CD1 3.31Å; L17-L21 PolarHBondContact O-N 2.85Å; L18-L21 PolarHBondContact O-N 2.91Å; L21-A23 VanDerWaalsContact C-N 3.34Å; L21-L24 WeakPolarHBondContact O-CB 3.19Å; L21-L24 PolarHBondContact O-N 2.85Å |
| 22 | S | 58 | Low | 53.7 | Low | 94 Ų | 94 | 114.9 Ų | 114.9 | 66% | 0.657 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.8 | -26.1 | 176.5 | -52.4 | 0 | 0 | 0 | 0 | 113.5 | L18 R19 L24 | L18-S22 WeakPolarHBondContact O-CB 3.46Å; L18-S22 PolarHBondContact O-N 3.28Å; L18-S22 PolarHBondContact O-OG 3.48Å; R19-S22 PolarHBondContact O-N 2.93Å; S22-L24 VanDerWaalsContact C-N 3.34Å |
| 23 | A | 50.7 | Low | 52.7 | Low | 77 Ų | 77 | 120.5 Ų | 120.5 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -84.8 | -10.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R19 M20 L21 P25 | R19-A23 VanDerWaalsContact O-CB 3.31Å; R19-A23 WeakPolarHBondContact O-CB 3.45Å; R19-A23 PolarHBondContact O-N 3.45Å; M20-A23 PolarHBondContact O-N 3.49Å; L21-A23 VanDerWaalsContact C-N 3.34Å; A23-P25 WeakPolarHBondContact O-CD 3.27Å |
| 24 | L | 46.4 | Very low | 51.6 | Low | 94 Ų | 94 | 129.9 Ų | 129.9 | 49% | 0.492 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -73.5 | 118.3 | 171 | -152.8 | 71.6 | 0 | 0 | 0 | 107.3 | M20 L21 S22 C26 F55 | M20-L24 PolarHBondContact O-N 3.39Å; M20-L24 VanDerWaalsContact O-N 3.16Å; L21-L24 WeakPolarHBondContact O-CB 3.19Å; L21-L24 PolarHBondContact O-N 2.85Å; S22-L24 VanDerWaalsContact C-N 3.34Å; L24-C26 PolarHBondContact O-N 2.87Å; L24-F55 HydrophobicContact CD2-CE1 4.43Å; L24-F55 HydrophobicContact CD2-CZ 4.5Å |
| 25 | P | 48.8 | Very low | 50.6 | Low | 115 Ų | 115 | 132.9 Ų | 132.9 | 75% | 0.747 | 70% | 0.703 | S | S | * | * | trans | -60.9 | 106.5 | 179.5 | 22.8 | -30.3 | 0 | 0 | 0 | 108 | A23 R27 | A23-P25 WeakPolarHBondContact O-CD 3.27Å; P25-R27 PolarHBondContact O-N 2.82Å | ||
| 26 | C | 43.7 | Very low | 49.7 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 85% | 0.851 | 72% | 0.716 | S | S | * | * | trans | -60.3 | 83.5 | 166.8 | -72.1 | 0 | 0 | 0 | 0 | 107.8 | L24 G28 | L24-C26 PolarHBondContact O-N 2.87Å; C26-G28 PolarHBondContact O-N 2.91Å | ||
| 27 | R | 45.9 | Very low | 48.6 | Very low | 246 Ų | 246 | 135.9 Ų | 135.9 | 93% | 0.928 | 73% | 0.729 | S | S | * | * | trans | -74.3 | 69.7 | 162.9 | -166.9 | 166.7 | 178.6 | 134.9 | -2.6 | 107.2 | P25 | P25-R27 PolarHBondContact O-N 2.82Š| ||
| 28 | G | 39.3 | Very low | 47.2 | Very low | 52 Ų | 52 | 135.1 Ų | 135.1 | 54% | 0.536 | 74% | 0.741 | S | S | . | * | trans | -66.1 | 133.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | C26 A30 | C26-G28 PolarHBondContact O-N 2.91Å; G28-A30 PolarHBondContact O-N 3.47Å | ||
| 29 | P | 41.3 | Very low | 46.4 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | -78.7 | 76.7 | 172.7 | 32.3 | -30.6 | 0 | 0 | 0 | 108.5 | H31 | P29-H31 VanDerWaalsContact C-N 3.29Å; P29-H31 PolarHBondContact O-N 3.17Å | ||
| 30 | A | 43.5 | Very low | 45.1 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | -86.2 | 71.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109 | G28 | G28-A30 PolarHBondContact O-N 3.47Š| ||
| 31 | H | 40.7 | Very low | 44.6 | Very low | 170 Ų | 170 | 130.5 Ų | 130.5 | 79% | 0.787 | 76% | 0.764 | S | S | * | * | trans | -159.9 | 34.9 | 165.7 | -125.3 | -75.4 | 0 | 0 | 0 | 116.6 | P29 | P29-H31 VanDerWaalsContact C-N 3.29Å; P29-H31 PolarHBondContact O-N 3.17Å | ||
| 32 | L | 43.1 | Very low | 44.1 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -110.7 | 73.9 | 164.9 | -129.9 | 157.4 | 0 | 0 | 0 | 110.3 | ||||
| 33 | Q | 37.1 | Very low | 43.3 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -59.1 | 130.1 | 163 | -152.8 | 171.6 | -78 | 0 | 0 | 108.3 | ||||
| 34 | R | 39.8 | Very low | 42.7 | Very low | 236 Ų | 236 | 138.1 Ų | 138.1 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | -41.2 | 144.2 | 179.7 | -60.6 | 175.1 | -169 | 115 | 1.4 | 113.1 | ||||
| 35 | P | 41.9 | Very low | 43 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | -120.9 | 143.4 | 114.8 | 1 | 19.2 | 0 | 0 | 0 | 113 | |||||
| 36 | L | 46.3 | Very low | 42.6 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | -44.4 | 134.6 | 167.7 | -173.5 | 99.3 | 0 | 0 | 0 | 113.7 | ||||
| 37 | L | 43.3 | Very low | 42.7 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | 137.3 | 119.1 | 134.3 | -154.6 | 75.7 | 0 | 0 | 0 | 113.8 | ||||
| 38 | G | 31.9 | Very low | 42.6 | Very low | 66 Ų | 66 | 141.5 Ų | 141.5 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | trans | 131.7 | 114.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 39 | P | 52.2 | Low | 42.8 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -86.6 | 110 | 167.2 | 32.9 | -24.3 | 0 | 0 | 0 | 108.9 | ||||
| 40 | A | 36.8 | Very low | 43.5 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | -143.8 | 79.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 41 | S | 48.3 | Very low | 43.7 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -52.7 | 146.9 | 153.2 | -42.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 42 | H | 47.6 | Very low | 44.2 | Very low | 186 Ų | 186 | 139.5 Ų | 139.5 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | 101.4 | 61.6 | 159 | -129.4 | -90.4 | 0 | 0 | 0 | 118.4 | ||||
| 43 | L | 41.2 | Very low | 44.8 | Very low | 181 Ų | 181 | 137.3 Ų | 137.3 | 95% | 0.948 | 78% | 0.775 | S | S | * | * | trans | -161.3 | 125.1 | 146.3 | -147.9 | 71.2 | 0 | 0 | 0 | 112.4 | ||||
| 44 | G | 38.7 | Very low | 45.8 | Very low | 70 Ų | 70 | 132.5 Ų | 132.5 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 101.8 | 59.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 45 | I | 51.1 | Low | 46.7 | Very low | 171 Ų | 171 | 127 Ų | 127 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | trans | -50 | 139 | 142.8 | -68.4 | 164.7 | 0 | 0 | 0 | 107.9 | ||||
| 46 | L | 40.4 | Very low | 47.7 | Very low | 157 Ų | 157 | 123 Ų | 123 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | 91.1 | 62 | 169.4 | -137.9 | 96.6 | 0 | 0 | 0 | 118.3 | ||||
| 47 | R | 47 | Very low | 48.8 | Very low | 208 Ų | 208 | 119.9 Ų | 119.9 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | -158.1 | 77.9 | 145.7 | -138.3 | 179.8 | 166.2 | 154.1 | -1.5 | 116.5 | A49 | R47-A49 PolarHBondContact O-N 2.7Š| ||
| 48 | P | 42.8 | Very low | 50 | Low | 116 Ų | 116 | 113.5 Ų | 113.5 | 75% | 0.753 | 67% | 0.671 | S | S | * | * | trans | -81.7 | 106.2 | 152.9 | -3.4 | 22.6 | 0 | 0 | 0 | 108.9 | ||||
| 49 | A | 43.8 | Very low | 51.9 | Low | 68 Ų | 68 | 113 Ų | 113 | 56% | 0.562 | 66% | 0.655 | S | S | * | * | trans | 20.8 | 113.6 | 151 | 0 | 0 | 0 | 0 | 0 | 119.3 | R47 T51 | R47-A49 PolarHBondContact O-N 2.7Å; A49-T51 VanDerWaalsContact C-N 3.26Å; A49-T51 PolarHBondContact O-N 3.44Å | ||
| 50 | M | 55.5 | Low | 53.2 | Low | 153 Ų | 153 | 111 Ų | 111 | 75% | 0.754 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 23.4 | -176.2 | -147.1 | 169.9 | -161.5 | 0 | 0 | 117.9 | ||
| 51 | T | 49.1 | Very low | 55.1 | Low | 119 Ų | 119 | 111.5 Ų | 111.5 | 73% | 0.73 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.3 | -5.2 | -178.4 | 49.9 | 0 | 0 | 0 | 0 | 116.2 | A49 H53 | A49-T51 VanDerWaalsContact C-N 3.26Å; A49-T51 PolarHBondContact O-N 3.44Å; T51-H53 PolarHBondContact O-N 2.69Å |
| 52 | A | 51.4 | Low | 56.4 | Low | 64 Ų | 64 | 109.7 Ų | 109.7 | 53% | 0.529 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.6 | -20.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S54 A56 | A52-S54 PolarHBondContact O-N 2.92Å; A52-A56 WeakPolarHBondContact O-CB 3.45Å; A52-A56 PolarHBondContact O-N 3.23Å; A52-A56 VanDerWaalsContact O-N 3.11Å |
| 53 | H | 53.9 | Low | 57.7 | Low | 119 Ų | 119 | 103.6 Ų | 103.6 | 55% | 0.551 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66 | -36.1 | -175.2 | -52.7 | -61 | 0 | 0 | 0 | 112.6 | T51 F55 A56 L57 | T51-H53 PolarHBondContact O-N 2.69Å; H53-F55 VanDerWaalsContact C-N 3.29Å; H53-F55 PolarHBondContact O-N 2.96Å; H53-A56 PolarHBondContact O-N 3.49Å; H53-L57 HydrophobicContact CB-CD1 4.46Å; H53-L57 VanDerWaalsContact O-CB 3.3Å; H53-L57 WeakPolarHBondContact O-CB 3.48Å; H53-L57 WeakPolarHBondContact O-CD1 3.27Å; H53-L57 WeakPolarHBondContact O-CG 3.05Å; H53-L57 PolarHBondContact O-N 2.94Å |
| 54 | S | 59.2 | Low | 59.6 | Low | 69 Ų | 69 | 99 Ų | 99 | 48% | 0.483 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.8 | -28.3 | -174.1 | -139.7 | 0 | 0 | 0 | 0 | 113 | A52 P58 Y98 | A52-S54 PolarHBondContact O-N 2.92Å; S54-P58 WeakPolarHBondContact O-CD 3.37Å; S54-P58 WeakPolarHBondContact O-CG 3.35Å; S54-Y98 WeakPolarHBondContact O-CE1 3.25Å; S54-Y98 PolarHBondContact O-OH 3.22Å; S54-Y98 VanDerWaalsContact O-OH 3.04Å; S54-Y98 PolarHBondContact OG-OH 2.91Å |
| 55 | F | 59.2 | Low | 61.5 | Low | 121 Ų | 121 | 99.3 Ų | 99.3 | 53% | 0.531 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -89.8 | -34.6 | 174.4 | -179.9 | -103.2 | 0 | 0 | 0 | 112.1 | L24 H53 P58 V59 | L24-F55 HydrophobicContact CD2-CE1 4.43Å; L24-F55 HydrophobicContact CD2-CZ 4.5Å; H53-F55 VanDerWaalsContact C-N 3.29Å; H53-F55 PolarHBondContact O-N 2.96Å; F55-P58 VanDerWaalsContact O-CD 3.28Å; F55-P58 WeakPolarHBondContact O-CD 3.31Å; F55-P58 VanDerWaalsContact O-CG 3.28Å; F55-P58 WeakPolarHBondContact O-CG 3.38Å; F55-V59 HydrophobicContact CD1-CG2 4.49Å; F55-V59 HydrophobicContact CE1-CG2 4.09Å; F55-V59 HydrophobicContact CE2-CG2 4.3Å; F55-V59 HydrophobicContact CZ-CG2 4Å; F55-V59 VanDerWaalsContact O-CG2 3.31Å; F55-V59 WeakPolarHBondContact O-CG2 3.22Å |
| 56 | A | 62.8 | Low | 62.7 | Low | 36 Ų | 36 | 95.7 Ų | 95.7 | 30% | 0.298 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -41 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A52 H53 V59 I60 | A52-A56 WeakPolarHBondContact O-CB 3.45Å; A52-A56 PolarHBondContact O-N 3.23Å; A52-A56 VanDerWaalsContact O-N 3.11Å; H53-A56 PolarHBondContact O-N 3.49Å; A56-V59 PolarHBondContact O-N 3.38Å; A56-I60 HydrophobicContact CB-CD1 4.1Å; A56-I60 WeakPolarHBondContact O-CB 3.01Å; A56-I60 VanDerWaalsContact O-CD1 3.31Å; A56-I60 WeakPolarHBondContact O-CD1 3.47Å; A56-I60 WeakPolarHBondContact O-CG1 3.31Å; A56-I60 PolarHBondContact O-N 2.88Å |
| 57 | L | 69.4 | Low | 64.7 | Low | 97 Ų | 97 | 89.9 Ų | 89.9 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.5 | -53.8 | -179.1 | -73.9 | 166.9 | 0 | 0 | 0 | 113.9 | H53 V59 I60 I61 | H53-L57 HydrophobicContact CB-CD1 4.46Å; H53-L57 VanDerWaalsContact O-CB 3.3Å; H53-L57 WeakPolarHBondContact O-CB 3.48Å; H53-L57 WeakPolarHBondContact O-CD1 3.27Å; H53-L57 WeakPolarHBondContact O-CG 3.05Å; H53-L57 PolarHBondContact O-N 2.94Å; L57-V59 VanDerWaalsContact C-N 3.32Å; L57-V59 PolarHBondContact O-N 3.2Å; L57-I60 PolarHBondContact O-N 3.38Å; L57-I61 WeakPolarHBondContact O-CB 3.4Å; L57-I61 WeakPolarHBondContact O-CD1 3.36Å; L57-I61 WeakPolarHBondContact O-CG1 3.28Å; L57-I61 PolarHBondContact O-N 3.5Å |
| 58 | P | 68 | Low | 66.3 | Low | 35 Ų | 35 | 85.7 Ų | 85.7 | 23% | 0.227 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -65.2 | -35.4 | 179.3 | 26 | -36.3 | 0 | 0 | 0 | 112.4 | S54 F55 F62 Y98 | S54-P58 WeakPolarHBondContact O-CD 3.37Å; S54-P58 WeakPolarHBondContact O-CG 3.35Å; F55-P58 VanDerWaalsContact O-CD 3.28Å; F55-P58 WeakPolarHBondContact O-CD 3.31Å; F55-P58 VanDerWaalsContact O-CG 3.28Å; F55-P58 WeakPolarHBondContact O-CG 3.38Å; P58-F62 WeakPolarHBondContact O-CB 3.27Å; P58-F62 PolarHBondContact O-N 2.84Å; P58-Y98 HydrophobicContact CB-CD1 4.25Å; P58-Y98 HydrophobicContact CB-CE1 4.27Å; P58-Y98 HydrophobicContact CG-CD1 4.1Å; P58-Y98 HydrophobicContact CG-CE1 3.74Å |
| 59 | V | 72.1 | Confident | 67.9 | Low | 55 Ų | 55 | 83.5 Ų | 83.5 | 33% | 0.333 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 177.5 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | F55 A56 L57 T63 | F55-V59 HydrophobicContact CD1-CG2 4.49Å; F55-V59 HydrophobicContact CE1-CG2 4.09Å; F55-V59 HydrophobicContact CE2-CG2 4.3Å; F55-V59 HydrophobicContact CZ-CG2 4Å; F55-V59 VanDerWaalsContact O-CG2 3.31Å; F55-V59 WeakPolarHBondContact O-CG2 3.22Å; A56-V59 PolarHBondContact O-N 3.38Å; L57-V59 VanDerWaalsContact C-N 3.32Å; L57-V59 PolarHBondContact O-N 3.2Å; V59-T63 HydrophobicContact CG1-CG2 4.47Å; V59-T63 WeakPolarHBondContact O-CB 3.47Å; V59-T63 VanDerWaalsContact O-CG2 3.27Å; V59-T63 WeakPolarHBondContact O-CG2 3.33Å; V59-T63 PolarHBondContact O-N 3.27Å; V59-T63 PolarHBondContact O-OG1 3.3Å |
| 60 | I | 78.1 | Confident | 69.2 | Low | 93 Ų | 93 | 81.6 Ų | 81.6 | 48% | 0.477 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.3 | -44.6 | 178.1 | -66.6 | 162.5 | 0 | 0 | 0 | 110.7 | A56 L57 T63 T64 | A56-I60 HydrophobicContact CB-CD1 4.1Å; A56-I60 WeakPolarHBondContact O-CB 3.01Å; A56-I60 VanDerWaalsContact O-CD1 3.31Å; A56-I60 WeakPolarHBondContact O-CD1 3.47Å; A56-I60 WeakPolarHBondContact O-CG1 3.31Å; A56-I60 PolarHBondContact O-N 2.88Å; L57-I60 PolarHBondContact O-N 3.38Å; I60-T63 WeakPolarHBondContact CA-OG1 3.21Å; I60-T63 PolarHBondContact O-N 3.47Å; I60-T63 PolarHBondContact O-OG1 3.25Å; I60-T63 VanDerWaalsContact O-OG1 3.08Å; I60-T64 HydrophobicContact CG2-CG2 4.31Å; I60-T64 WeakPolarHBondContact O-CB 3.27Å; I60-T64 VanDerWaalsContact O-CG2 3.28Å; I60-T64 WeakPolarHBondContact O-CG2 3.49Å; I60-T64 PolarHBondContact O-N 2.9Å; I60-T64 PolarHBondContact O-OG1 2.93Å |
| 61 | I | 77.9 | Confident | 70.1 | Confident | 107 Ų | 107 | 80.6 Ų | 80.6 | 55% | 0.549 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 177.8 | -66.7 | 163.6 | 0 | 0 | 0 | 110.4 | L57 T64 F65 | L57-I61 WeakPolarHBondContact O-CB 3.4Å; L57-I61 WeakPolarHBondContact O-CD1 3.36Å; L57-I61 WeakPolarHBondContact O-CG1 3.28Å; L57-I61 PolarHBondContact O-N 3.5Å; I61-T64 PolarHBondContact O-OG1 3.24Å; I61-F65 WeakPolarHBondContact O-CB 3.26Å; I61-F65 PolarHBondContact O-N 2.91Å |
| 62 | F | 74.9 | Confident | 71.2 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 35% | 0.346 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 179 | -169.2 | -90.3 | 0 | 0 | 0 | 111.6 | P58 T64 F65 W66 V91 V95 | P58-F62 WeakPolarHBondContact O-CB 3.27Å; P58-F62 PolarHBondContact O-N 2.84Å; F62-T64 PolarHBondContact O-N 3.5Å; F62-F65 PolarHBondContact O-N 3.08Å; F62-W66 AromaticContact CD1-CD1 3.61Å; F62-W66 HydrophobicContact CD1-CG 4.43Å; F62-W66 AromaticContact CD2-CD1 3.71Å; F62-W66 AromaticContact CD2-NE1 3.51Å; F62-W66 AromaticContact CE1-CD1 3.53Å; F62-W66 HydrophobicContact CE1-CG 4.2Å; F62-W66 AromaticContact CE1-NE1 3.58Å; F62-W66 AromaticContact CE2-CD1 3.67Å; F62-W66 AromaticContact CE2-CE2 3.98Å; F62-W66 HydrophobicContact CE2-CZ2 4.47Å; F62-W66 AromaticContact CE2-NE1 3.05Å; F62-W66 AromaticContact CG-CD1 3.7Å; F62-W66 AromaticContact CG-NE1 3.97Å; F62-W66 AromaticContact CZ-CD1 3.57Å; F62-W66 HydrophobicContact CZ-CD2 4.5Å; F62-W66 AromaticContact CZ-CE2 3.7Å; F62-W66 HydrophobicContact CZ-CG 4.4Å; F62-W66 HydrophobicContact CZ-CZ2 4.18Å; F62-W66 AromaticContact CZ-NE1 3.09Å; F62-W66 WeakPolarHBondContact O-CB 3.41Å; F62-W66 PolarHBondContact O-N 2.95Å; F62-V91 HydrophobicContact CD2-CG1 3.57Å; F62-V91 HydrophobicContact CE2-CG1 3.54Å; F62-V95 HydrophobicContact CD2-CG2 4Å; F62-V95 HydrophobicContact CE2-CG2 4.32Å |
| 63 | T | 75.1 | Confident | 72 | Confident | 57 Ų | 57 | 74.5 Ų | 74.5 | 35% | 0.35 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | -178.9 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | L17 V59 I60 G67 | L17-T63 HydrophobicContact CD2-CG2 4.4Å; V59-T63 HydrophobicContact CG1-CG2 4.47Å; V59-T63 WeakPolarHBondContact O-CB 3.47Å; V59-T63 VanDerWaalsContact O-CG2 3.27Å; V59-T63 WeakPolarHBondContact O-CG2 3.33Å; V59-T63 PolarHBondContact O-N 3.27Å; V59-T63 PolarHBondContact O-OG1 3.3Å; I60-T63 WeakPolarHBondContact CA-OG1 3.21Å; I60-T63 PolarHBondContact O-N 3.47Å; I60-T63 PolarHBondContact O-OG1 3.25Å; I60-T63 VanDerWaalsContact O-OG1 3.08Å; T63-G67 PolarHBondContact O-N 3.41Å |
| 64 | T | 81.2 | Confident | 72.5 | Confident | 85 Ų | 85 | 73.1 Ų | 73.1 | 52% | 0.521 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70 | -42.4 | 177.1 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | I60 I61 F62 G67 L68 | I60-T64 HydrophobicContact CG2-CG2 4.31Å; I60-T64 WeakPolarHBondContact O-CB 3.27Å; I60-T64 VanDerWaalsContact O-CG2 3.28Å; I60-T64 WeakPolarHBondContact O-CG2 3.49Å; I60-T64 PolarHBondContact O-N 2.9Å; I60-T64 PolarHBondContact O-OG1 2.93Å; I61-T64 PolarHBondContact O-OG1 3.24Å; F62-T64 PolarHBondContact O-N 3.5Å; T64-G67 PolarHBondContact O-N 2.85Å; T64-L68 VanDerWaalsContact O-CB 3.27Å; T64-L68 WeakPolarHBondContact O-CB 3.31Å; T64-L68 PolarHBondContact O-N 3.33Å |
| 65 | F | 79.3 | Confident | 72.7 | Confident | 77 Ų | 77 | 79.6 Ų | 79.6 | 34% | 0.338 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.3 | -50.9 | 177.7 | 179.9 | -103.1 | 0 | 0 | 0 | 111.8 | I61 F62 L68 I69 I87 V91 | I61-F65 WeakPolarHBondContact O-CB 3.26Å; I61-F65 PolarHBondContact O-N 2.91Å; F62-F65 PolarHBondContact O-N 3.08Å; F65-L68 PolarHBondContact O-N 2.92Å; F65-I69 HydrophobicContact CD1-CD1 3.32Å; F65-I69 HydrophobicContact CD2-CD1 3.93Å; F65-I69 HydrophobicContact CE1-CD1 3.08Å; F65-I69 HydrophobicContact CE2-CD1 3.73Å; F65-I69 HydrophobicContact CG-CD1 3.75Å; F65-I69 HydrophobicContact CZ-CD1 3.33Å; F65-I69 WeakPolarHBondContact O-CD1 3.11Å; F65-I69 WeakPolarHBondContact O-CG1 3.31Å; F65-I69 PolarHBondContact O-N 3.34Å; F65-I87 HydrophobicContact CE1-CG2 3.79Å; F65-I87 HydrophobicContact CZ-CG2 3.5Å; F65-I87 VanDerWaalsContact CZ-CG2 3.5Å; F65-V91 HydrophobicContact CD1-CG2 4.28Å; F65-V91 HydrophobicContact CE1-CG2 3.63Å; F65-V91 HydrophobicContact CZ-CG2 4.13Å |
| 66 | W | 76.4 | Confident | 72.7 | Confident | 94 Ų | 94 | 80.9 Ų | 80.9 | 36% | 0.356 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.9 | -35.2 | 178.5 | -78.9 | 89.9 | 0 | 0 | 0 | 113 | F62 I69 G70 T88 | F62-W66 AromaticContact CD1-CD1 3.61Å; F62-W66 HydrophobicContact CD1-CG 4.43Å; F62-W66 AromaticContact CD2-CD1 3.71Å; F62-W66 AromaticContact CD2-NE1 3.51Å; F62-W66 AromaticContact CE1-CD1 3.53Å; F62-W66 HydrophobicContact CE1-CG 4.2Å; F62-W66 AromaticContact CE1-NE1 3.58Å; F62-W66 AromaticContact CE2-CD1 3.67Å; F62-W66 AromaticContact CE2-CE2 3.98Å; F62-W66 HydrophobicContact CE2-CZ2 4.47Å; F62-W66 AromaticContact CE2-NE1 3.05Å; F62-W66 AromaticContact CG-CD1 3.7Å; F62-W66 AromaticContact CG-NE1 3.97Å; F62-W66 AromaticContact CZ-CD1 3.57Å; F62-W66 HydrophobicContact CZ-CD2 4.5Å; F62-W66 AromaticContact CZ-CE2 3.7Å; F62-W66 HydrophobicContact CZ-CG 4.4Å; F62-W66 HydrophobicContact CZ-CZ2 4.18Å; F62-W66 AromaticContact CZ-NE1 3.09Å; F62-W66 WeakPolarHBondContact O-CB 3.41Å; F62-W66 PolarHBondContact O-N 2.95Å; W66-I69 PolarHBondContact O-N 3.48Å; W66-G70 PolarHBondContact O-N 3.35Å; W66-T88 HydrophobicContact CH2-CG2 3.19Å; W66-T88 HydrophobicContact CZ2-CG2 3.64Å; W66-T88 HydrophobicContact CZ3-CG2 3.96Å |
| 67 | G | 81.9 | Confident | 71.8 | Confident | 36 Ų | 36 | 83.9 Ų | 83.9 | 37% | 0.371 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T63 T64 G70 I71 | T63-G67 PolarHBondContact O-N 3.41Å; T64-G67 PolarHBondContact O-N 2.85Å; G67-G70 PolarHBondContact O-N 2.87Å; G67-I71 VanDerWaalsContact O-CG1 3.29Å; G67-I71 WeakPolarHBondContact O-CG1 3.4Å; G67-I71 PolarHBondContact O-N 3.38Å; G67-I71 VanDerWaalsContact O-N 3.09Å |
| 68 | L | 79.9 | Confident | 70.9 | Confident | 120 Ų | 120 | 84.6 Ų | 84.6 | 63% | 0.628 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.1 | -41.1 | 177.8 | -169.5 | 66.5 | 0 | 0 | 0 | 111.3 | T64 F65 G70 I71 A72 | T64-L68 VanDerWaalsContact O-CB 3.27Å; T64-L68 WeakPolarHBondContact O-CB 3.31Å; T64-L68 PolarHBondContact O-N 3.33Å; F65-L68 PolarHBondContact O-N 2.92Å; L68-G70 VanDerWaalsContact C-N 3.35Å; L68-I71 PolarHBondContact O-N 2.92Å; L68-A72 WeakPolarHBondContact O-CA 3.39Å; L68-A72 WeakPolarHBondContact O-CB 3.17Å; L68-A72 PolarHBondContact O-N 3.45Å |
| 69 | I | 76.2 | Confident | 70.4 | Confident | 69 Ų | 69 | 92.8 Ų | 92.8 | 35% | 0.354 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.8 | -33.9 | 176.4 | -67.2 | 156 | 0 | 0 | 0 | 111.8 | F65 W66 I71 G73 | F65-I69 HydrophobicContact CD1-CD1 3.32Å; F65-I69 HydrophobicContact CD2-CD1 3.93Å; F65-I69 HydrophobicContact CE1-CD1 3.08Å; F65-I69 HydrophobicContact CE2-CD1 3.73Å; F65-I69 HydrophobicContact CG-CD1 3.75Å; F65-I69 HydrophobicContact CZ-CD1 3.33Å; F65-I69 WeakPolarHBondContact O-CD1 3.11Å; F65-I69 WeakPolarHBondContact O-CG1 3.31Å; F65-I69 PolarHBondContact O-N 3.34Å; W66-I69 PolarHBondContact O-N 3.48Å; I69-I71 VanDerWaalsContact C-N 3.28Å; I69-I71 PolarHBondContact O-N 3.07Å; I69-G73 VanDerWaalsContact O-CA 3.27Å; I69-G73 WeakPolarHBondContact O-CA 3.42Å; I69-G73 PolarHBondContact O-N 3Å |
| 70 | G | 72.6 | Confident | 69.7 | Low | 29 Ų | 29 | 91.9 Ų | 91.9 | 30% | 0.299 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.9 | -28.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | W66 G67 L68 P74 | W66-G70 PolarHBondContact O-N 3.35Å; G67-G70 PolarHBondContact O-N 2.87Å; L68-G70 VanDerWaalsContact C-N 3.35Å; G70-P74 WeakPolarHBondContact O-CD 3.49Å; G70-P74 WeakPolarHBondContact O-CG 3.25Å |
| 71 | I | 74.2 | Confident | 68.9 | Low | 131 Ų | 131 | 93.2 Ų | 93.2 | 67% | 0.672 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -92.3 | -40 | 178.6 | -63.3 | 166.6 | 0 | 0 | 0 | 111.5 | G67 L68 I69 P74 | G67-I71 VanDerWaalsContact O-CG1 3.29Å; G67-I71 WeakPolarHBondContact O-CG1 3.4Å; G67-I71 PolarHBondContact O-N 3.38Å; G67-I71 VanDerWaalsContact O-N 3.09Å; L68-I71 PolarHBondContact O-N 2.92Å; I69-I71 VanDerWaalsContact C-N 3.28Å; I69-I71 PolarHBondContact O-N 3.07Å; I71-P74 WeakPolarHBondContact O-CD 3.35Å |
| 72 | A | 70.8 | Confident | 67.9 | Low | 30 Ų | 30 | 93.6 Ų | 93.6 | 25% | 0.248 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -77.6 | -31.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L68 W75 F76 | L68-A72 WeakPolarHBondContact O-CA 3.39Å; L68-A72 WeakPolarHBondContact O-CB 3.17Å; L68-A72 PolarHBondContact O-N 3.45Å; A72-W75 CarbonylContact O-C 3.55Å; A72-W75 WeakPolarHBondContact O-CA 3.3Å; A72-W75 PolarHBondContact O-N 2.92Å; A72-F76 HydrophobicContact CB-CD2 3.98Å; A72-F76 HydrophobicContact CB-CE2 4.42Å; A72-F76 WeakPolarHBondContact O-CB 3.38Å; A72-F76 WeakPolarHBondContact O-CD2 3.42Å; A72-F76 PolarHBondContact O-N 3.47Å |
| 73 | G | 69.7 | Low | 67.1 | Low | 25 Ų | 25 | 99.5 Ų | 99.5 | 26% | 0.258 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -55.9 | -45.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | I69 W75 V77 | I69-G73 VanDerWaalsContact O-CA 3.27Å; I69-G73 WeakPolarHBondContact O-CA 3.42Å; I69-G73 PolarHBondContact O-N 3Å; G73-W75 VanDerWaalsContact C-N 3.27Å; G73-W75 PolarHBondContact O-N 3.34Å; G73-V77 WeakPolarHBondContact O-CB 3.31Å; G73-V77 WeakPolarHBondContact O-CG2 3.21Å; G73-V77 PolarHBondContact O-N 3.4Å |
| 74 | P | 63.9 | Low | 66.6 | Low | 90 Ų | 90 | 98.9 Ų | 98.9 | 58% | 0.584 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.9 | -29 | 171.8 | -24.9 | 32.9 | 0 | 0 | 0 | 114.6 | G70 I71 | G70-P74 WeakPolarHBondContact O-CD 3.49Å; G70-P74 WeakPolarHBondContact O-CG 3.25Å; I71-P74 WeakPolarHBondContact O-CD 3.35Å |
| 75 | W | 64 | Low | 65.9 | Low | 206 Ų | 206 | 99.1 Ų | 99.1 | 78% | 0.78 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -89.3 | -28.4 | -176.9 | -155.2 | 82.6 | 0 | 0 | 0 | 112.8 | A72 G73 | A72-W75 CarbonylContact O-C 3.55Å; A72-W75 WeakPolarHBondContact O-CA 3.3Å; A72-W75 PolarHBondContact O-N 2.92Å; G73-W75 VanDerWaalsContact C-N 3.27Å; G73-W75 PolarHBondContact O-N 3.34Å |
| 76 | F | 57.8 | Low | 65.1 | Low | 147 Ų | 147 | 101.1 Ų | 101.1 | 65% | 0.645 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -101.2 | 3.3 | -176.7 | -83 | -82.1 | 0 | 0 | 0 | 114.9 | A72 P78 | A72-F76 HydrophobicContact CB-CD2 3.98Å; A72-F76 HydrophobicContact CB-CE2 4.42Å; A72-F76 WeakPolarHBondContact O-CB 3.38Å; A72-F76 WeakPolarHBondContact O-CD2 3.42Å; A72-F76 PolarHBondContact O-N 3.47Å; F76-P78 WeakPolarHBondContact O-CD 3.42Å |
| 77 | V | 45.2 | Very low | 64.6 | Low | 100 Ų | 100 | 100.5 Ų | 100.5 | 61% | 0.606 | 55% | 0.554 | S | S | * | * | trans | -107.9 | 90.8 | 178.5 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | G73 | G73-V77 WeakPolarHBondContact O-CB 3.31Å; G73-V77 WeakPolarHBondContact O-CG2 3.21Å; G73-V77 PolarHBondContact O-N 3.4Å | ||
| 78 | P | 49.7 | Very low | 63.8 | Low | 112 Ų | 112 | 101 Ų | 101 | 73% | 0.727 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -89.2 | 108.5 | 130.1 | -3.1 | 20.9 | 0 | 0 | 0 | 109.2 | F76 | F76-P78 WeakPolarHBondContact O-CD 3.42Š|
| 79 | K | 56.8 | Low | 63.1 | Low | 207 Ų | 207 | 101 Ų | 101 | 90% | 0.9 | 55% | 0.548 | S | S | * | . | S | Bend | trans | 43 | 88.6 | 155 | -61.5 | 176.1 | 178 | 85 | 0 | 117.6 | ||
| 80 | G | 57.3 | Low | 62.7 | Low | 35 Ų | 35 | 103.9 Ų | 103.9 | 36% | 0.361 | 56% | 0.564 | S | S | . | * | trans | -154.5 | 116.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N82 | G80-N82 PolarHBondContact O-N 2.85Š| ||
| 81 | P | 61 | Low | 62.5 | Low | 122 Ų | 122 | 103.9 Ų | 103.9 | 79% | 0.792 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -17.7 | -161 | 20.6 | -29.8 | 0 | 0 | 0 | 117.6 | ||
| 82 | N | 56.8 | Low | 62.1 | Low | 114 Ų | 114 | 100.2 Ų | 100.2 | 61% | 0.61 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.8 | 16.5 | -163.3 | -61.6 | -45.6 | 0 | 0 | 0 | 116.3 | G80 | G80-N82 PolarHBondContact O-N 2.85Š|
| 83 | R | 59.8 | Low | 62.1 | Low | 203 Ų | 203 | 102.6 Ų | 102.6 | 77% | 0.766 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -75.6 | -33.4 | -172.6 | -63.1 | -172.4 | -177 | -123.7 | 0.7 | 114.4 | I87 | R83-I87 VanDerWaalsContact O-CD1 3.31Å; R83-I87 WeakPolarHBondContact O-CD1 3.08Å; R83-I87 WeakPolarHBondContact O-CG1 3.36Å |
| 84 | G | 64.6 | Low | 61.6 | Low | 45 Ų | 45 | 104.3 Ų | 104.3 | 46% | 0.464 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.2 | -40.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I86 I87 T88 | G84-I86 PolarHBondContact O-N 3.03Å; G84-I87 PolarHBondContact O-N 2.83Å; G84-T88 VanDerWaalsContact O-CG2 3.27Å; G84-T88 WeakPolarHBondContact O-CG2 3.28Å; G84-T88 PolarHBondContact O-N 3.39Å; G84-T88 PolarHBondContact O-OG1 3.16Å |
| 85 | V | 64.9 | Low | 61.7 | Low | 90 Ų | 90 | 102.5 Ų | 102.5 | 55% | 0.545 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.6 | -44 | -167.4 | 173.6 | 0 | 0 | 0 | 0 | 112.5 | I87 T88 M89 | V85-I87 PolarHBondContact O-N 3.32Å; V85-T88 WeakPolarHBondContact CA-OG1 3.28Å; V85-T88 PolarHBondContact O-N 3.31Å; V85-T88 PolarHBondContact O-OG1 3.41Å; V85-M89 WeakPolarHBondContact O-CB 3.48Å; V85-M89 WeakPolarHBondContact O-CG 3.33Å; V85-M89 PolarHBondContact O-N 2.91Å |
| 86 | I | 64.3 | Low | 61.6 | Low | 119 Ų | 119 | 95.9 Ų | 95.9 | 61% | 0.61 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.7 | -42.1 | -179.9 | -58.7 | 171.1 | 0 | 0 | 0 | 110.6 | G84 M89 L90 | G84-I86 PolarHBondContact O-N 3.03Å; I86-M89 PolarHBondContact O-N 3.11Å; I86-L90 PolarHBondContact O-N 2.94Å |
| 87 | I | 65.1 | Low | 61.8 | Low | 81 Ų | 81 | 92.5 Ų | 92.5 | 42% | 0.415 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 178.9 | -62.1 | 170.4 | 0 | 0 | 0 | 110.5 | F65 R83 G84 V85 L90 V91 | F65-I87 HydrophobicContact CE1-CG2 3.79Å; F65-I87 HydrophobicContact CZ-CG2 3.5Å; F65-I87 VanDerWaalsContact CZ-CG2 3.5Å; R83-I87 VanDerWaalsContact O-CD1 3.31Å; R83-I87 WeakPolarHBondContact O-CD1 3.08Å; R83-I87 WeakPolarHBondContact O-CG1 3.36Å; G84-I87 PolarHBondContact O-N 2.83Å; V85-I87 PolarHBondContact O-N 3.32Å; I87-L90 PolarHBondContact O-N 2.87Å; I87-V91 WeakPolarHBondContact O-CB 2.95Å; I87-V91 VanDerWaalsContact O-CG2 3.25Å; I87-V91 WeakPolarHBondContact O-CG2 3.37Å; I87-V91 PolarHBondContact O-N 3.25Å |
| 88 | T | 66.3 | Low | 62.6 | Low | 45 Ų | 45 | 92.6 Ų | 92.6 | 28% | 0.276 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69 | -35.3 | 178.7 | 58.7 | 0 | 0 | 0 | 0 | 113 | W66 G84 V85 A92 | W66-T88 HydrophobicContact CH2-CG2 3.19Å; W66-T88 HydrophobicContact CZ2-CG2 3.64Å; W66-T88 HydrophobicContact CZ3-CG2 3.96Å; G84-T88 VanDerWaalsContact O-CG2 3.27Å; G84-T88 WeakPolarHBondContact O-CG2 3.28Å; G84-T88 PolarHBondContact O-N 3.39Å; G84-T88 PolarHBondContact O-OG1 3.16Å; V85-T88 WeakPolarHBondContact CA-OG1 3.28Å; V85-T88 PolarHBondContact O-N 3.31Å; V85-T88 PolarHBondContact O-OG1 3.41Å; T88-A92 VanDerWaalsContact O-CB 3.3Å; T88-A92 WeakPolarHBondContact O-CB 3.3Å; T88-A92 PolarHBondContact O-N 2.93Å |
| 89 | M | 65.1 | Low | 63.2 | Low | 121 Ų | 121 | 91.9 Ų | 91.9 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.3 | -45.6 | 174.6 | -80 | -70.8 | 155.8 | 0 | 0 | 111 | V85 I86 V91 A92 T93 | V85-M89 WeakPolarHBondContact O-CB 3.48Å; V85-M89 WeakPolarHBondContact O-CG 3.33Å; V85-M89 PolarHBondContact O-N 2.91Å; I86-M89 PolarHBondContact O-N 3.11Å; M89-V91 VanDerWaalsContact C-N 3.31Å; M89-V91 PolarHBondContact O-N 2.84Å; M89-A92 PolarHBondContact O-N 3.33Å; M89-T93 WeakPolarHBondContact O-CB 3.43Å; M89-T93 PolarHBondContact O-N 2.92Å; M89-T93 PolarHBondContact O-OG1 3.23Å |
| 90 | L | 66 | Low | 63.1 | Low | 130 Ų | 130 | 86.2 Ų | 86.2 | 68% | 0.681 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.8 | -41.5 | 177.7 | -133.6 | 93.6 | 0 | 0 | 0 | 111.9 | I86 I87 T93 A94 | I86-L90 PolarHBondContact O-N 2.94Å; I87-L90 PolarHBondContact O-N 2.87Å; L90-T93 PolarHBondContact O-N 3.43Å; L90-A94 WeakPolarHBondContact O-CB 3.2Å; L90-A94 PolarHBondContact O-N 2.94Å |
| 91 | V | 69.3 | Low | 63.1 | Low | 29 Ų | 29 | 88.8 Ų | 88.8 | 18% | 0.176 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -70.4 | -42.3 | 179.4 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | F62 F65 I87 M89 T93 A94 V95 | F62-V91 HydrophobicContact CD2-CG1 3.57Å; F62-V91 HydrophobicContact CE2-CG1 3.54Å; F65-V91 HydrophobicContact CD1-CG2 4.28Å; F65-V91 HydrophobicContact CE1-CG2 3.63Å; F65-V91 HydrophobicContact CZ-CG2 4.13Å; I87-V91 WeakPolarHBondContact O-CB 2.95Å; I87-V91 VanDerWaalsContact O-CG2 3.25Å; I87-V91 WeakPolarHBondContact O-CG2 3.37Å; I87-V91 PolarHBondContact O-N 3.25Å; M89-V91 VanDerWaalsContact C-N 3.31Å; M89-V91 PolarHBondContact O-N 2.84Å; V91-T93 VanDerWaalsContact C-N 3.31Å; V91-T93 PolarHBondContact O-N 3.32Å; V91-A94 PolarHBondContact O-N 3.46Å; V91-V95 HydrophobicContact CG1-CG2 4.37Å; V91-V95 WeakPolarHBondContact O-CB 3.23Å; V91-V95 VanDerWaalsContact O-CG2 3.23Å; V91-V95 WeakPolarHBondContact O-CG2 3.45Å; V91-V95 PolarHBondContact O-N 3.49Å |
| 92 | A | 66.4 | Low | 62.8 | Low | 53 Ų | 53 | 86.9 Ų | 86.9 | 44% | 0.438 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T88 M89 C96 | T88-A92 VanDerWaalsContact O-CB 3.3Å; T88-A92 WeakPolarHBondContact O-CB 3.3Å; T88-A92 PolarHBondContact O-N 2.93Å; M89-A92 PolarHBondContact O-N 3.33Å; A92-C96 VanDerWaalsContact O-CB 3.23Å; A92-C96 WeakPolarHBondContact O-CB 3.46Å; A92-C96 PolarHBondContact O-N 2.72Å |
| 93 | T | 69.8 | Low | 62.7 | Low | 81 Ų | 81 | 84.4 Ų | 84.4 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 174.3 | -58 | 0 | 0 | 0 | 0 | 111.6 | M89 L90 V91 V95 C96 C97 | M89-T93 WeakPolarHBondContact O-CB 3.43Å; M89-T93 PolarHBondContact O-N 2.92Å; M89-T93 PolarHBondContact O-OG1 3.23Å; L90-T93 PolarHBondContact O-N 3.43Å; V91-T93 VanDerWaalsContact C-N 3.31Å; V91-T93 PolarHBondContact O-N 3.32Å; T93-V95 VanDerWaalsContact C-N 3.34Å; T93-V95 PolarHBondContact O-N 2.93Å; T93-C96 PolarHBondContact O-N 3.4Å; T93-C97 WeakPolarHBondContact O-CB 3.38Å; T93-C97 PolarHBondContact O-N 2.91Å; T93-C97 PolarHBondContact O-SG 3.29Å |
| 94 | A | 58.7 | Low | 62.4 | Low | 61 Ų | 61 | 80 Ų | 80 | 50% | 0.504 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L90 V91 Y98 | L90-A94 WeakPolarHBondContact O-CB 3.2Å; L90-A94 PolarHBondContact O-N 2.94Å; V91-A94 PolarHBondContact O-N 3.46Å; A94-Y98 VanDerWaalsContact O-CB 3.25Å; A94-Y98 WeakPolarHBondContact O-CB 3.42Å; A94-Y98 PolarHBondContact O-N 2.8Å |
| 95 | V | 66.1 | Low | 62 | Low | 52 Ų | 52 | 87.3 Ų | 87.3 | 32% | 0.315 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 174.9 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | F62 V91 T93 Y98 L99 | F62-V95 HydrophobicContact CD2-CG2 4Å; F62-V95 HydrophobicContact CE2-CG2 4.32Å; V91-V95 HydrophobicContact CG1-CG2 4.37Å; V91-V95 WeakPolarHBondContact O-CB 3.23Å; V91-V95 VanDerWaalsContact O-CG2 3.23Å; V91-V95 WeakPolarHBondContact O-CG2 3.45Å; V91-V95 PolarHBondContact O-N 3.49Å; T93-V95 VanDerWaalsContact C-N 3.34Å; T93-V95 PolarHBondContact O-N 2.93Å; V95-Y98 PolarHBondContact O-N 2.97Å; V95-L99 HydrophobicContact CG1-CD1 3.71Å; V95-L99 HydrophobicContact CG1-CG 4.26Å; V95-L99 WeakPolarHBondContact O-CB 3.39Å; V95-L99 WeakPolarHBondContact O-CG 3.33Å; V95-L99 PolarHBondContact O-N 3.36Å |
| 96 | C | 61.9 | Low | 61.4 | Low | 66 Ų | 66 | 91 Ų | 91 | 45% | 0.446 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.3 | -51.5 | 175.1 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | A92 T93 Y98 L99 L100 | A92-C96 VanDerWaalsContact O-CB 3.23Å; A92-C96 WeakPolarHBondContact O-CB 3.46Å; A92-C96 PolarHBondContact O-N 2.72Å; T93-C96 PolarHBondContact O-N 3.4Å; C96-Y98 VanDerWaalsContact C-N 3.33Å; C96-Y98 PolarHBondContact O-N 3.04Å; C96-L99 PolarHBondContact O-N 3.36Å; C96-L100 VanDerWaalsContact O-CB 3.26Å; C96-L100 WeakPolarHBondContact O-CB 3.22Å; C96-L100 PolarHBondContact O-N 2.92Å |
| 97 | C | 62.8 | Low | 60.5 | Low | 77 Ų | 77 | 89 Ų | 89 | 52% | 0.52 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -38 | 178.9 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | T93 C101 | T93-C97 WeakPolarHBondContact O-CB 3.38Å; T93-C97 PolarHBondContact O-N 2.91Å; T93-C97 PolarHBondContact O-SG 3.29Å; C97-C101 WeakPolarHBondContact O-CB 3.23Å; C97-C101 PolarHBondContact O-N 3.42Å |
| 98 | Y | 62.6 | Low | 59.8 | Low | 102 Ų | 102 | 91 Ų | 91 | 40% | 0.4 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.2 | -34.2 | 177.8 | -167 | -95 | 0 | 0 | 0 | 112.8 | S54 P58 A94 V95 C96 P102 | S54-Y98 WeakPolarHBondContact O-CE1 3.25Å; S54-Y98 PolarHBondContact O-OH 3.22Å; S54-Y98 VanDerWaalsContact O-OH 3.04Å; S54-Y98 PolarHBondContact OG-OH 2.91Å; P58-Y98 HydrophobicContact CB-CD1 4.25Å; P58-Y98 HydrophobicContact CB-CE1 4.27Å; P58-Y98 HydrophobicContact CG-CD1 4.1Å; P58-Y98 HydrophobicContact CG-CE1 3.74Å; A94-Y98 VanDerWaalsContact O-CB 3.25Å; A94-Y98 WeakPolarHBondContact O-CB 3.42Å; A94-Y98 PolarHBondContact O-N 2.8Å; V95-Y98 PolarHBondContact O-N 2.97Å; C96-Y98 VanDerWaalsContact C-N 3.33Å; C96-Y98 PolarHBondContact O-N 3.04Å; Y98-P102 WeakPolarHBondContact O-CD 2.95Å |
| 99 | L | 61.3 | Low | 58.5 | Low | 97 Ų | 97 | 93.2 Ų | 93.2 | 51% | 0.508 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -80.1 | -31.5 | 175.2 | -65.5 | 174.7 | 0 | 0 | 0 | 112.5 | V95 C96 P102 | V95-L99 HydrophobicContact CG1-CD1 3.71Å; V95-L99 HydrophobicContact CG1-CG 4.26Å; V95-L99 WeakPolarHBondContact O-CB 3.39Å; V95-L99 WeakPolarHBondContact O-CG 3.33Å; V95-L99 PolarHBondContact O-N 3.36Å; C96-L99 PolarHBondContact O-N 3.36Å; L99-P102 WeakPolarHBondContact O-CD 3.19Å; L99-P102 WeakPolarHBondContact O-CG 3.49Å |
| 100 | L | 54.4 | Low | 57.5 | Low | 87 Ų | 87 | 92.6 Ų | 92.6 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -75.8 | -28.1 | 175.3 | -131.1 | 71.8 | 0 | 0 | 0 | 111.6 | C96 A103 L104 | C96-L100 VanDerWaalsContact O-CB 3.26Å; C96-L100 WeakPolarHBondContact O-CB 3.22Å; C96-L100 PolarHBondContact O-N 2.92Å; L100-A103 PolarHBondContact O-N 3.06Å; L100-L104 HydrophobicContact CB-CD1 3.95Å; L100-L104 HydrophobicContact CD2-CD1 3.5Å; L100-L104 VanDerWaalsContact CD2-CD1 3.5Å; L100-L104 HydrophobicContact CD2-CG 4.41Å; L100-L104 HydrophobicContact CG-CD1 3.56Å; L100-L104 HydrophobicContact CG-CG 4.11Å; L100-L104 WeakPolarHBondContact O-CB 3.41Å; L100-L104 WeakPolarHBondContact O-CG 3.32Å; L100-L104 PolarHBondContact O-N 2.91Å |
| 101 | C | 59.1 | Low | 56.5 | Low | 89 Ų | 89 | 94.7 Ų | 94.7 | 60% | 0.601 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -58.6 | -41.5 | 177.7 | -121.8 | 0 | 0 | 0 | 0 | 114.8 | C97 R105 | C97-C101 WeakPolarHBondContact O-CB 3.23Å; C97-C101 PolarHBondContact O-N 3.42Å; C101-R105 WeakPolarHBondContact O-CB 3.26Å; C101-R105 PolarHBondContact O-N 3.22Å |
| 102 | P | 54 | Low | 55 | Low | 83 Ų | 83 | 98.1 Ų | 98.1 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -76.3 | -31.7 | 170.8 | 21.4 | -26.5 | 0 | 0 | 0 | 113.4 | Y98 L99 R105 | Y98-P102 WeakPolarHBondContact O-CD 2.95Å; L99-P102 WeakPolarHBondContact O-CD 3.19Å; L99-P102 WeakPolarHBondContact O-CG 3.49Å; P102-R105 WeakPolarHBondContact O-CB 3.37Å; P102-R105 PolarHBondContact O-N 2.82Å |
| 103 | A | 55.2 | Low | 53.8 | Low | 62 Ų | 62 | 103.3 Ų | 103.3 | 51% | 0.512 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -74 | -35.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L100 R105 M106 P107 | L100-A103 PolarHBondContact O-N 3.06Å; A103-R105 VanDerWaalsContact C-N 3.29Å; A103-M106 PolarHBondContact O-N 2.77Å; A103-P107 VanDerWaalsContact O-CD 3.32Å; A103-P107 WeakPolarHBondContact O-CD 3.26Å |
| 104 | L | 53.6 | Low | 52.3 | Low | 109 Ų | 109 | 105.3 Ų | 105.3 | 57% | 0.571 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -5 | 171.5 | -73 | 160.5 | 0 | 0 | 0 | 112.8 | L100 P107 | L100-L104 HydrophobicContact CB-CD1 3.95Å; L100-L104 HydrophobicContact CD2-CD1 3.5Å; L100-L104 VanDerWaalsContact CD2-CD1 3.5Å; L100-L104 HydrophobicContact CD2-CG 4.41Å; L100-L104 HydrophobicContact CG-CD1 3.56Å; L100-L104 HydrophobicContact CG-CG 4.11Å; L100-L104 WeakPolarHBondContact O-CB 3.41Å; L100-L104 WeakPolarHBondContact O-CG 3.32Å; L100-L104 PolarHBondContact O-N 2.91Å; L104-P107 VanDerWaalsContact CA-CD 3.42Å; L104-P107 HydrophobicContact CD2-CG 4.18Å; L104-P107 WeakPolarHBondContact O-CD 3.42Å |
| 105 | R | 54.8 | Low | 51.5 | Low | 200 Ų | 200 | 108.9 Ų | 108.9 | 76% | 0.755 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -10.8 | 165.4 | -158.9 | 81.6 | 102.2 | 99.6 | 3.1 | 111.9 | C101 P102 A103 | C101-R105 WeakPolarHBondContact O-CB 3.26Å; C101-R105 PolarHBondContact O-N 3.22Å; P102-R105 WeakPolarHBondContact O-CB 3.37Å; P102-R105 PolarHBondContact O-N 2.82Å; A103-R105 VanDerWaalsContact C-N 3.29Å |
| 106 | M | 52.9 | Low | 50.6 | Low | 166 Ų | 166 | 112.4 Ų | 112.4 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -129.1 | 29.7 | -177.5 | -64.9 | -66.9 | -76.7 | 0 | 0 | 116.6 | A103 | A103-M106 PolarHBondContact O-N 2.77Š|
| 107 | P | 45.1 | Very low | 49.7 | Very low | 77 Ų | 77 | 114.7 Ų | 114.7 | 50% | 0.5 | 67% | 0.669 | S | S | . | * | trans | -125.2 | 55.7 | 156 | 36.1 | -16.9 | 0 | 0 | 0 | 108.8 | A103 L104 | A103-P107 VanDerWaalsContact O-CD 3.32Å; A103-P107 WeakPolarHBondContact O-CD 3.26Å; L104-P107 VanDerWaalsContact CA-CD 3.42Å; L104-P107 HydrophobicContact CD2-CG 4.18Å; L104-P107 WeakPolarHBondContact O-CD 3.42Å | ||
| 108 | V | 49.8 | Very low | 48.9 | Very low | 125 Ų | 125 | 116.4 Ų | 116.4 | 76% | 0.758 | 68% | 0.682 | S | S | * | * | trans | -113.3 | 54.5 | 152.2 | -77.6 | 0 | 0 | 0 | 0 | 108 | P110 | V108-P110 VanDerWaalsContact O-CD 3.28Å; V108-P110 WeakPolarHBondContact O-CD 3.36Å | ||
| 109 | A | 39.5 | Very low | 48 | Very low | 90 Ų | 90 | 114.9 Ų | 114.9 | 74% | 0.744 | 70% | 0.697 | S | S | * | * | trans | -86.2 | 100 | 144.2 | 0 | 0 | 0 | 0 | 0 | 105.1 | L111 | A109-L111 PolarHBondContact O-N 3.22Š| ||
| 110 | P | 45 | Very low | 47.4 | Very low | 109 Ų | 109 | 115.4 Ų | 115.4 | 71% | 0.708 | 71% | 0.707 | S | S | * | * | trans | -71.6 | 104.7 | 176.5 | 29.3 | -30.1 | 0 | 0 | 0 | 107.2 | V108 S112 | V108-P110 VanDerWaalsContact O-CD 3.28Å; V108-P110 WeakPolarHBondContact O-CD 3.36Å; P110-S112 PolarHBondContact O-N 3.47Å | ||
| 111 | L | 45.3 | Very low | 46.8 | Very low | 174 Ų | 174 | 114.1 Ų | 114.1 | 91% | 0.911 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -71.1 | 78.8 | 150.3 | -79.8 | 174.7 | 0 | 0 | 0 | 106.9 | A109 | A109-L111 PolarHBondContact O-N 3.22Š|
| 112 | S | 37.5 | Very low | 46.5 | Very low | 100 Ų | 100 | 114.9 Ų | 114.9 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 177.5 | 112.2 | 140.3 | -79 | 0 | 0 | 0 | 0 | 108.2 | P110 T114 | P110-S112 PolarHBondContact O-N 3.47Å; S112-T114 PolarHBondContact O-N 2.77Å |
| 113 | L | 41.5 | Very low | 46.1 | Very low | 163 Ų | 163 | 115 Ų | 115 | 85% | 0.853 | 71% | 0.708 | S | S | * | * | trans | -45.5 | 121.7 | 162.3 | -75.9 | 69.7 | 0 | 0 | 0 | 109 | ||||
| 114 | T | 38.4 | Very low | 45.2 | Very low | 122 Ų | 122 | 117.5 Ų | 117.5 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | 175.4 | 119.3 | 119.5 | 38.5 | 0 | 0 | 0 | 0 | 109.6 | S112 | S112-T114 PolarHBondContact O-N 2.77Š| |||
| 115 | T | 39.8 | Very low | 44.9 | Very low | 136 Ų | 136 | 117.9 Ų | 117.9 | 83% | 0.834 | 71% | 0.711 | S | S | * | * | trans | 68.9 | 131 | 154.5 | 58.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 116 | P | 48.1 | Very low | 44.4 | Very low | 126 Ų | 126 | 112.1 Ų | 112.1 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -90.9 | 173.8 | -171.8 | 39.4 | -35.2 | 0 | 0 | 0 | 112.1 | ||||
| 117 | S | 43.4 | Very low | 44.1 | Very low | 114 Ų | 114 | 109 Ų | 109 | 80% | 0.797 | 69% | 0.687 | S | S | * | * | trans | 98.2 | 81.3 | 166.8 | -169.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 118 | S | 44.9 | Very low | 44.3 | Very low | 114 Ų | 114 | 109.7 Ų | 109.7 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | 168.7 | 111.1 | 126.9 | 42.3 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 119 | G | 45.1 | Very low | 44.2 | Very low | 69 Ų | 69 | 107.4 Ų | 107.4 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 137.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110 | S121 | G119-S121 PolarHBondContact O-N 3.15Å; G119-S121 VanDerWaalsContact O-N 3.15Å |
| 120 | P | 48.6 | Very low | 44.2 | Very low | 109 Ų | 109 | 106 Ų | 106 | 71% | 0.708 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 119.2 | 176.1 | 26.9 | -31.3 | 0 | 0 | 0 | 108.4 | ||
| 121 | S | 42.3 | Very low | 44.1 | Very low | 60 Ų | 60 | 104.5 Ų | 104.5 | 42% | 0.42 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 146.3 | 175.4 | 47.3 | 0 | 0 | 0 | 0 | 110.6 | G119 T123 Q124 | G119-S121 PolarHBondContact O-N 3.15Å; G119-S121 VanDerWaalsContact O-N 3.15Å; S121-T123 PolarHBondContact O-N 3.36Å; S121-T123 PolarHBondContact OG-OG1 3.12Å; S121-Q124 PolarHBondContact O-N 3.31Å |
| 122 | P | 51.6 | Low | 44.2 | Very low | 105 Ų | 105 | 103.3 Ų | 103.3 | 68% | 0.682 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -57.8 | -14.9 | -174.9 | 22 | -33.9 | 0 | 0 | 0 | 114.2 | C126 | P122-C126 PolarHBondContact O-N 2.74Å |
| 123 | T | 45.4 | Very low | 44.5 | Very low | 86 Ų | 86 | 106 Ų | 106 | 53% | 0.528 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -66.1 | -32.5 | 174 | 39.5 | 0 | 0 | 0 | 0 | 113.5 | S121 C126 L127 | S121-T123 PolarHBondContact O-N 3.36Å; S121-T123 PolarHBondContact OG-OG1 3.12Å; T123-C126 PolarHBondContact O-N 3.38Å; T123-L127 WeakPolarHBondContact O-CG 3.49Å; T123-L127 PolarHBondContact O-N 3.37Å |
| 124 | Q | 35.7 | Very low | 44.3 | Very low | 113 Ų | 113 | 104.3 Ų | 104.3 | 53% | 0.528 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -71.8 | -36.2 | 179.7 | -71 | -69.8 | -13.6 | 0 | 0 | 112.4 | S121 L127 V128 | S121-Q124 PolarHBondContact O-N 3.31Å; Q124-L127 PolarHBondContact O-N 2.66Å; Q124-V128 PolarHBondContact O-N 2.83Å; Q124-V128 VanDerWaalsContact O-N 3.09Å |
| 125 | L | 47.5 | Very low | 44 | Very low | 118 Ų | 118 | 101.5 Ų | 101.5 | 62% | 0.618 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.4 | -33.9 | 174.4 | -78.2 | 162.6 | 0 | 0 | 0 | 112.2 | S129 | L125-S129 WeakPolarHBondContact O-CB 3.42Å; L125-S129 PolarHBondContact O-N 3.22Å; L125-S129 PolarHBondContact O-OG 3.27Å |
| 126 | C | 44.4 | Very low | 43.8 | Very low | 79 Ų | 79 | 100.9 Ų | 100.9 | 53% | 0.534 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.2 | -38.3 | 170.3 | -83.4 | 0 | 0 | 0 | 0 | 111.8 | P122 T123 S130 | P122-C126 PolarHBondContact O-N 2.74Å; T123-C126 PolarHBondContact O-N 3.38Å; C126-S130 WeakPolarHBondContact O-CB 2.97Å; C126-S130 PolarHBondContact O-N 3.19Å; C126-S130 PolarHBondContact O-OG 2.98Å |
| 127 | L | 46.3 | Very low | 43.6 | Very low | 100 Ų | 100 | 106.2 Ų | 106.2 | 52% | 0.524 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -67.1 | -44.7 | 176.9 | -78 | 166.2 | 0 | 0 | 0 | 112 | T123 Q124 S129 S130 S131 | T123-L127 WeakPolarHBondContact O-CG 3.49Å; T123-L127 PolarHBondContact O-N 3.37Å; Q124-L127 PolarHBondContact O-N 2.66Å; L127-S129 PolarHBondContact O-N 3.23Å; L127-S130 PolarHBondContact O-N 3.47Å; L127-S131 WeakPolarHBondContact O-CB 3.21Å; L127-S131 PolarHBondContact O-N 2.8Å; L127-S131 PolarHBondContact O-OG 2.9Å |
| 128 | V | 50.6 | Low | 43 | Very low | 92 Ų | 92 | 107.3 Ų | 107.3 | 56% | 0.558 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.7 | -41.1 | 175.6 | 169.3 | 0 | 0 | 0 | 0 | 112.1 | Q124 S131 L132 | Q124-V128 PolarHBondContact O-N 2.83Å; Q124-V128 VanDerWaalsContact O-N 3.09Å; V128-S131 PolarHBondContact O-N 3.44Å; V128-L132 PolarHBondContact O-N 3.06Å; V128-L132 VanDerWaalsContact O-N 3.12Å |
| 129 | S | 48 | Very low | 43 | Very low | 77 Ų | 77 | 107.2 Ų | 107.2 | 54% | 0.538 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.2 | -37.9 | 176 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | L125 L127 L133 | L125-S129 WeakPolarHBondContact O-CB 3.42Å; L125-S129 PolarHBondContact O-N 3.22Å; L125-S129 PolarHBondContact O-OG 3.27Å; L127-S129 PolarHBondContact O-N 3.23Å; S129-L133 WeakPolarHBondContact O-CB 3.18Å; S129-L133 PolarHBondContact O-N 3.02Å; S129-L133 VanDerWaalsContact O-N 3.15Å |
| 130 | S | 39.3 | Very low | 42.6 | Very low | 59 Ų | 59 | 109.8 Ų | 109.8 | 41% | 0.413 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70.2 | -38.2 | 176.6 | -59 | 0 | 0 | 0 | 0 | 111.3 | C126 L127 L132 L133 L134 | C126-S130 WeakPolarHBondContact O-CB 2.97Å; C126-S130 PolarHBondContact O-N 3.19Å; C126-S130 PolarHBondContact O-OG 2.98Å; L127-S130 PolarHBondContact O-N 3.47Å; S130-L132 VanDerWaalsContact C-N 3.35Å; S130-L132 PolarHBondContact O-N 3.44Å; S130-L133 CarbonylContact O-C 3.59Å; S130-L133 PolarHBondContact O-N 3.09Å; S130-L134 VanDerWaalsContact O-CB 3.26Å; S130-L134 WeakPolarHBondContact O-CB 3.32Å; S130-L134 WeakPolarHBondContact O-CD1 3.48Å; S130-L134 PolarHBondContact O-N 3.01Å |
| 131 | S | 41.7 | Very low | 42.2 | Very low | 79 Ų | 79 | 112.8 Ų | 112.8 | 55% | 0.552 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.9 | -31.1 | 176.6 | -65.6 | 0 | 0 | 0 | 0 | 113.1 | L127 V128 A135 | L127-S131 WeakPolarHBondContact O-CB 3.21Å; L127-S131 PolarHBondContact O-N 2.8Å; L127-S131 PolarHBondContact O-OG 2.9Å; V128-S131 PolarHBondContact O-N 3.44Å; S131-A135 PolarHBondContact O-N 3.01Å |
| 132 | L | 48 | Very low | 42.1 | Very low | 148 Ų | 148 | 118.2 Ų | 118.2 | 78% | 0.775 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -75.4 | -29.7 | 172.4 | -123.2 | 82 | 0 | 0 | 0 | 112.5 | V128 S130 | V128-L132 PolarHBondContact O-N 3.06Å; V128-L132 VanDerWaalsContact O-N 3.12Å; S130-L132 VanDerWaalsContact C-N 3.35Å; S130-L132 PolarHBondContact O-N 3.44Å |
| 133 | L | 43.1 | Very low | 41.5 | Very low | 156 Ų | 156 | 116.3 Ų | 116.3 | 82% | 0.817 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -82.8 | -28.6 | 177.2 | -134.7 | 83.6 | 0 | 0 | 0 | 112.9 | S129 S130 | S129-L133 WeakPolarHBondContact O-CB 3.18Å; S129-L133 PolarHBondContact O-N 3.02Å; S129-L133 VanDerWaalsContact O-N 3.15Å; S130-L133 CarbonylContact O-C 3.59Å; S130-L133 PolarHBondContact O-N 3.09Å |
| 134 | L | 37.8 | Very low | 40.9 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 68% | 0.675 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -95.4 | -0.3 | 179.3 | -88.6 | 88 | 0 | 0 | 0 | 113.9 | S130 P136 | S130-L134 VanDerWaalsContact O-CB 3.26Å; S130-L134 WeakPolarHBondContact O-CB 3.32Å; S130-L134 WeakPolarHBondContact O-CD1 3.48Å; S130-L134 PolarHBondContact O-N 3.01Å; L134-P136 WeakPolarHBondContact O-CD 3.15Å; L134-P136 WeakPolarHBondContact O-CG 3.38Å |
| 135 | A | 31.5 | Very low | 41.4 | Very low | 62 Ų | 62 | 121 Ų | 121 | 51% | 0.512 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -59.9 | 105.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | S131 R137 | S131-A135 PolarHBondContact O-N 3.01Å; A135-R137 PolarHBondContact O-N 3.15Å |
| 136 | P | 36.3 | Very low | 40.8 | Very low | 124 Ų | 124 | 118.9 Ų | 118.9 | 81% | 0.805 | 69% | 0.693 | S | S | * | * | trans | -65.2 | 116 | -167.4 | -19.7 | 33.4 | 0 | 0 | 0 | 109.2 | L134 D138 | L134-P136 WeakPolarHBondContact O-CD 3.15Å; L134-P136 WeakPolarHBondContact O-CG 3.38Å; P136-D138 PolarHBondContact O-N 3.15Å | ||
| 137 | R | 44.6 | Very low | 40.6 | Very low | 237 Ų | 237 | 120.2 Ų | 120.2 | 89% | 0.894 | 70% | 0.701 | S | S | * | * | trans | -85.3 | 95.9 | 157.2 | -74.1 | -154.8 | 139.1 | 91.4 | 4.5 | 106.5 | A135 P139 | A135-R137 PolarHBondContact O-N 3.15Å; R137-P139 WeakPolarHBondContact O-CD 3.4Å | ||
| 138 | D | 29.7 | Very low | 40.6 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | -46 | 115.5 | 170.3 | -167.5 | -93 | 0 | 0 | 0 | 110.2 | P136 | P136-D138 PolarHBondContact O-N 3.15Š| ||
| 139 | P | 45.1 | Very low | 39.5 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -95 | 105.9 | 167.7 | 30.9 | -18.7 | 0 | 0 | 0 | 109.1 | R137 | R137-P139 WeakPolarHBondContact O-CD 3.4Š| ||
| 140 | D | 37 | Very low | 38.7 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 66% | 0.658 | 74% | 0.742 | S | S | * | * | trans | 55.6 | 96 | 147.3 | -145.4 | -72.5 | 0 | 0 | 0 | 117.8 | Q142 | D140-Q142 WeakPolarHBondContact OD1-CB 3.28Å; D140-Q142 PolarHBondContact OD1-N 2.93Å | ||
| 141 | L | 40.5 | Very low | 38.3 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | trans | -107.6 | 74.1 | 145.6 | -110.4 | 96.9 | 0 | 0 | 0 | 109.5 | ||||
| 142 | Q | 40.7 | Very low | 37.9 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -104.1 | 96.6 | 161.7 | -76.8 | -96.2 | 63.1 | 0 | 0 | 110 | D140 | D140-Q142 WeakPolarHBondContact OD1-CB 3.28Å; D140-Q142 PolarHBondContact OD1-N 2.93Å | ||
| 143 | G | 39.3 | Very low | 37 | Very low | 64 Ų | 64 | 139.4 Ų | 139.4 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | trans | -177.1 | 73.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 144 | L | 31.7 | Very low | 36.7 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -165 | 142 | 137.4 | -124.2 | 104 | 0 | 0 | 0 | 111.5 | ||||
| 145 | P | 46.2 | Very low | 36.7 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -97.2 | 135.6 | -167.5 | 35.3 | -30.6 | 0 | 0 | 0 | 115.6 | ||||
| 146 | G | 35 | Very low | 37.1 | Very low | 73 Ų | 73 | 140.9 Ų | 140.9 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | 85.5 | 164.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 147 | P | 40.7 | Very low | 37 | Very low | 107 Ų | 107 | 139 Ų | 139 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | -126.1 | 126.6 | 3.8 | 34.3 | -15.5 | 0 | 0 | 0 | 114.1 | K149 | P147-K149 PolarHBondContact O-N 3.24Š| ||
| 148 | W | 45.1 | Very low | 36.6 | Very low | 254 Ų | 254 | 139.1 Ų | 139.1 | 96% | 0.962 | 78% | 0.784 | S | S | * | * | trans | -75.4 | 107.1 | 166.1 | 71.5 | -62.8 | 0 | 0 | 0 | 109.7 | ||||
| 149 | K | 29 | Very low | 36.8 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | -162.8 | 97.8 | 159.4 | 47.8 | 143.1 | -177.9 | -73.1 | 0 | 110.6 | P147 | P147-K149 PolarHBondContact O-N 3.24Š| ||
| 150 | S | 29.9 | Very low | 36.2 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -179.7 | 111.6 | 133.9 | 41.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 151 | S | 31.4 | Very low | 35.9 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 78.3 | 102 | 136.3 | -52.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 152 | Q | 33.1 | Very low | 35.6 | Very low | 192 Ų | 192 | 135 Ų | 135 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -43.9 | 167 | 138.9 | -69.7 | 169.2 | 22.1 | 0 | 0 | 112.5 | ||||
| 153 | S | 30.2 | Very low | 35.9 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 99.2 | 113.3 | 172.2 | -143.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 154 | S | 36 | Very low | 35.6 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | cis | -158.7 | 137.2 | 23.4 | -52.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 155 | Q | 37.1 | Very low | 35.6 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -70.6 | 153.7 | 145.4 | -69 | -99.2 | -49.4 | 0 | 0 | 107.7 | ||||
| 156 | P | 41 | Very low | 35 | Very low | 103 Ų | 103 | 133 Ų | 133 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | -135.7 | 115.1 | 118 | 24.3 | -6.8 | 0 | 0 | 0 | 112 | |||||
| 157 | A | 33.7 | Very low | 34.9 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -69.6 | 127.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 158 | W | 35.3 | Very low | 34.4 | Very low | 238 Ų | 238 | 133.9 Ų | 133.9 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -72.7 | 137 | -178.5 | -76.1 | 92.5 | 0 | 0 | 0 | 112.6 | ||||
| 159 | A | 33.8 | Very low | 33.8 | Very low | 90 Ų | 90 | 124.9 Ų | 124.9 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | 72 | 91.6 | 141 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 160 | L | 33.6 | Very low | 33.9 | Very low | 180 Ų | 180 | 124.5 Ų | 124.5 | 94% | 0.942 | 80% | 0.795 | S | S | * | * | trans | -91.5 | 134 | 143.8 | -150.8 | 78.8 | 0 | 0 | 0 | 108 | ||||
| 161 | G | 30.6 | Very low | 34.3 | Very low | 65 Ų | 65 | 125.3 Ų | 125.3 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | -76 | 178.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 162 | S | 34.8 | Very low | 34.3 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | 85.8 | 155.9 | 163.4 | -64.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 163 | P | 46.8 | Very low | 34.7 | Very low | 126 Ų | 126 | 124.5 Ų | 124.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | -134.4 | 167.8 | -17.1 | 31.1 | -10.5 | 0 | 0 | 0 | 115 | ||||
| 164 | G | 33 | Very low | 34.7 | Very low | 73 Ų | 73 | 126.9 Ų | 126.9 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | 84.1 | 103.9 | 132 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 165 | H | 31.6 | Very low | 34.2 | Very low | 190 Ų | 190 | 131.8 Ų | 131.8 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | trans | 61.2 | 116.2 | 132.5 | -102.7 | -117.2 | 0 | 0 | 0 | 123.1 | ||||
| 166 | S | 33.2 | Very low | 34.8 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | 99.9 | 123.6 | 121.7 | -147.3 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 167 | S | 33.5 | Very low | 34.5 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | 103.8 | 104.4 | 137.9 | -154.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 168 | G | 29.7 | Very low | 34.2 | Very low | 78 Ų | 78 | 132.9 Ų | 132.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | 99.5 | 122.3 | 118.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 169 | G | 31.2 | Very low | 34 | Very low | 65 Ų | 65 | 127.1 Ų | 127.1 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | trans | 94.7 | 97.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 170 | D | 32.3 | Very low | 33.9 | Very low | 161 Ų | 161 | 126 Ų | 126 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | 84 | 138.7 | 74.2 | -75 | -55.6 | 0 | 0 | 0 | 115 | |||||
| 171 | V | 38.5 | Very low | 33.7 | Very low | 129 Ų | 129 | 124 Ų | 124 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | trans | 81.7 | 96.5 | 163.4 | -172.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 172 | L | 32 | Very low | 34 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | 74.6 | 101.8 | 70.5 | -169.6 | 133.9 | 0 | 0 | 0 | 113.7 | |||||
| 173 | L | 39.7 | Very low | 34.3 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -162.6 | 93.9 | 142.1 | -117 | 163.3 | 0 | 0 | 0 | 112.9 | ||||
| 174 | Q | 31 | Very low | 33.7 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | 52.7 | 108.8 | 137 | -62.7 | -175.2 | 84 | 0 | 0 | 122.9 | ||||
| 175 | Y | 26.2 | Very low | 33.7 | Very low | 204 Ų | 204 | 133.2 Ų | 133.2 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | 5.4 | 166.8 | 117.1 | -96.8 | -105.5 | 0 | 0 | 0 | 120.3 | |||||
| 176 | P | 49 | Very low | 33.7 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | cis | -144.4 | 154.9 | 20.9 | 32.2 | -7.7 | 0 | 0 | 0 | 120.7 | ||||
| 177 | H | 34.3 | Very low | 33.6 | Very low | 151 Ų | 151 | 131 Ų | 131 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | 29.5 | 132.7 | 128.2 | -147 | -96.4 | 0 | 0 | 0 | 123.7 | |||||
| 178 | C | 27.4 | Very low | 33.6 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 175.3 | 108.3 | 136.9 | -85.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 179 | S | 31.8 | Very low | 33.9 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | 80.8 | 125.3 | 83.6 | -166.5 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 180 | G | 31.1 | Very low | 34 | Very low | 67 Ų | 67 | 134.4 Ų | 134.4 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | 93 | 136.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 181 | V | 30.2 | Very low | 34.2 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | cis | -162 | 138.5 | 11.1 | -177.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 182 | R | 36.9 | Very low | 33.9 | Very low | 241 Ų | 241 | 132.2 Ų | 132.2 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | trans | -117.3 | 147 | 149.3 | -84.3 | -170.2 | -177.2 | 177.3 | 2 | 104.6 | ||||
| 183 | P | 41.5 | Very low | 34 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | -162.1 | 175.7 | 71.7 | 41.1 | -19.3 | 0 | 0 | 0 | 118.4 | |||||
| 184 | L | 32.9 | Very low | 33.6 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 66.4 | 153.1 | 149.6 | -79.3 | 150.6 | 0 | 0 | 0 | 116.7 | ||||
| 185 | S | 32.8 | Very low | 33.5 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 55% | 0.552 | 77% | 0.772 | S | S | * | * | cis | -168.8 | 135.1 | 14.6 | -139.2 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 186 | Q | 33.2 | Very low | 33.8 | Very low | 178 Ų | 178 | 129 Ų | 129 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | 100.9 | 115.8 | 91.5 | 176.9 | 171.7 | 16.5 | 0 | 0 | 114.8 | |||||
| 187 | G | 30.4 | Very low | 32.9 | Very low | 75 Ų | 75 | 126.2 Ų | 126.2 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | 64.8 | 160.8 | 151.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 188 | D | 33.4 | Very low | 32.7 | Very low | 155 Ų | 155 | 123.8 Ų | 123.8 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | cis | -175.4 | 148.4 | -11.8 | -172.5 | -93.9 | 0 | 0 | 0 | 103.4 | ||||
| 189 | A | 35.9 | Very low | 32.8 | Very low | 84 Ų | 84 | 126 Ų | 126 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | trans | 63.9 | 146.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 190 | A | 33.1 | Very low | 33.2 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | trans | 64.5 | 111.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 191 | G | 37.2 | Very low | 33.5 | Very low | 72 Ų | 72 | 130.9 Ų | 130.9 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | 73.4 | 74.1 | 61.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 192 | E | 31.7 | Very low | 33.4 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -142.5 | 100.5 | 170.7 | -82.4 | -76.4 | 84.7 | 0 | 0 | 109.3 | V194 | E192-V194 PolarHBondContact O-N 3.48Š| ||
| 193 | L | 35 | Very low | 33.3 | Very low | 178 Ų | 178 | 133 Ų | 133 | 93% | 0.932 | 77% | 0.773 | S | S | * | * | trans | -72.2 | 106.7 | 154.4 | -70.7 | 151.7 | 0 | 0 | 0 | 106.3 | ||||
| 194 | V | 31.3 | Very low | 33.1 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -101.6 | 113.4 | 169.6 | 97.5 | 0 | 0 | 0 | 0 | 110.4 | E192 | E192-V194 PolarHBondContact O-N 3.48Š| ||
| 195 | W | 29 | Very low | 33.1 | Very low | 174 Ų | 174 | 132.6 Ų | 132.6 | 66% | 0.659 | 78% | 0.776 | S | S | * | * | trans | -90.5 | 120.7 | 179.9 | -174.2 | 91.7 | 0 | 0 | 0 | 108.7 | G197 S198 | W195-G197 VanDerWaalsContact CE3-N 3.32Å; W195-G197 PolarHBondContact O-N 3.3Å; W195-S198 WeakPolarHBondContact CH2-O 3.49Å | ||
| 196 | A | 31.8 | Very low | 33.4 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -84.9 | 97.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 197 | G | 29.8 | Very low | 33.9 | Very low | 56 Ų | 56 | 134.7 Ų | 134.7 | 58% | 0.577 | 79% | 0.79 | S | S | * | * | trans | 54.4 | 103.2 | 139.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | W195 | W195-G197 VanDerWaalsContact CE3-N 3.32Å; W195-G197 PolarHBondContact O-N 3.3Å | ||
| 198 | S | 31 | Very low | 34.3 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -157.1 | 86.9 | 141.7 | -79.1 | 0 | 0 | 0 | 0 | 109.6 | W195 | W195-S198 WeakPolarHBondContact CH2-O 3.49Š| ||
| 199 | F | 29.9 | Very low | 34.7 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -99.3 | 150.5 | 155.8 | -77.3 | -80 | 0 | 0 | 0 | 108.1 | ||||
| 200 | P | 39 | Very low | 34.7 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | -128.6 | 145.3 | 94.5 | 29.2 | -16.5 | 0 | 0 | 0 | 114.1 | |||||
| 201 | L | 36.6 | Very low | 35.6 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -60.9 | 145.3 | 173.1 | -73.5 | 153 | 0 | 0 | 0 | 113 | ||||
| 202 | R | 29.7 | Very low | 35.6 | Very low | 242 Ų | 242 | 144.4 Ų | 144.4 | 91% | 0.913 | 83% | 0.827 | S | S | * | * | trans | -147.6 | 92.6 | 141.7 | -170.3 | 165.3 | 151.7 | 147.2 | -6.4 | 111.9 | ||||
| 203 | M | 34.8 | Very low | 35.8 | Very low | 182 Ų | 182 | 143.1 Ų | 143.1 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | trans | 23.1 | 123.4 | 138.2 | -148.2 | 75.3 | 179.8 | 0 | 0 | 119.8 | ||||
| 204 | G | 36.1 | Very low | 35.8 | Very low | 65 Ų | 65 | 141.3 Ų | 141.3 | 67% | 0.67 | 82% | 0.823 | S | S | * | * | trans | 140.2 | 90.7 | 149 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 205 | Q | 33.6 | Very low | 36.1 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | 172.9 | 111.8 | 127.7 | -144.3 | 96.6 | -37 | 0 | 0 | 109.6 | |||||
| 206 | M | 39 | Very low | 36.5 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 88% | 0.882 | 83% | 0.832 | S | S | * | * | trans | -89.6 | 143.3 | 147.6 | -76.2 | -93.2 | -169.8 | 0 | 0 | 105.9 | ||||
| 207 | P | 43.3 | Very low | 36.8 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | -147.7 | 134.3 | 98.9 | 31.9 | -12.8 | 0 | 0 | 0 | 115.1 | |||||
| 208 | G | 39.4 | Very low | 37.3 | Very low | 62 Ų | 62 | 147.5 Ų | 147.5 | 64% | 0.639 | 85% | 0.848 | S | S | * | * | 69.1 | 110.3 | 127.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 209 | L | 40.8 | Very low | 37.7 | Very low | 187 Ų | 187 | 150.9 Ų | 150.9 | 98% | 0.979 | 86% | 0.859 | S | S | * | * | trans | -140.1 | 127.2 | 131.3 | -76.2 | -179.3 | 0 | 0 | 0 | 109.4 | ||||
| 210 | S | 35.8 | Very low | 38.3 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 85% | 0.853 | 87% | 0.868 | S | S | * | * | trans | -76 | 170 | -174.7 | -100.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 211 | P | 51.8 | Low | 38.3 | Very low | 114 Ų | 114 | 151.1 Ų | 151.1 | 74% | 0.74 | 87% | 0.869 | S | S | * | * | trans | -96.9 | 163.9 | -156.3 | 38.3 | -34.1 | 0 | 0 | 0 | 114.1 | ||||
| 212 | S | 38.3 | Very low | 38.4 | Very low | 199 Ų | 199 | 150.8 Ų | 150.8 | 100% | 1.392 | 88% | 0.875 | S | S | * | * | trans | -147.2 | 0 | 146.5 | -69.2 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 212 of 212 residues in 169.2 ms
(Link to these results)